diff --git a/.gitignore b/.gitignore index e758f64e43..5634632fa4 100644 --- a/.gitignore +++ b/.gitignore @@ -8,8 +8,12 @@ # Compiler python objects *.pyc -# OpenMC executable -src/openmc +# Python distribution +dist/ +openmc.egg-info/ + +# Inputs generated from Python API +examples/python/**/*.xml # emacs backups *~ @@ -22,7 +26,7 @@ docs/build docs/source/_images/*.pdf # Source build -src/build +build # build from src/utils/setup.py src/utils/build @@ -30,14 +34,32 @@ src/utils/build # xml-fortran reader src/xml-fortran/xmlreader -# Modules built from XML templates -src/templates/*.f90 - # Test results error file results_error.dat +# Test build files +tests/build/ +tests/ctestscript.run + # HDF5 files *.h5 +# Build files +src/CMakeCache.txt +src/CMakeFiles/ +src/bin/ +src/cmake_install.cmake +src/install_manifest.txt + # Data downloaded from NNDC data/nndc + +#Images +*.ppm + +# PyCharm project configuration files +.idea +.idea/* + +# IPython notebook checkpoints +.ipynb_checkpoints \ No newline at end of file diff --git a/.travis.yml b/.travis.yml new file mode 100644 index 0000000000..7af617f857 --- /dev/null +++ b/.travis.yml @@ -0,0 +1,54 @@ +sudo: false +language: python +python: + - "2.7" + - "3.4" +addons: + apt: + packages: + - gfortran + - g++ +cache: + directories: + - $HOME/mpich_install + - $HOME/hdf5_install + - $HOME/phdf5_install + +before_install: + # ============== Handle Python third-party packages ============== + - if [[ "$TRAVIS_PYTHON_VERSION" == "2.7" ]]; then + wget https://repo.continuum.io/miniconda/Miniconda-latest-Linux-x86_64.sh -O miniconda.sh; + else + wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh -O miniconda.sh; + fi + - bash miniconda.sh -b -p $HOME/miniconda + - export PATH="$HOME/miniconda/bin:$PATH" + - hash -r + - conda config --set always_yes yes --set changeps1 no + - conda update -q conda + - conda info -a + - conda create -q -n test-environment python=$TRAVIS_PYTHON_VERSION numpy scipy h5py + - source activate test-environment + + # Install GCC, MPICH, HDF5, PHDF5 + - ./tests/travis_install.sh + - export FC=gfortran + - export MPI_DIR=$HOME/mpich_install + - export PHDF5_DIR=$HOME/phdf5_install + - export HDF5_DIR=$HOME/hdf5_install + +install: true + +before_script: + - cd data + - git clone --branch=master git://github.com/bhermanmit/nndc_xs nndc_xs + - cat nndc_xs/nndc.tar.gza* | tar xzvf - + - rm -rf nndc_xs + - export CROSS_SECTIONS=$PWD/nndc/cross_sections.xml + - cd .. + +script: + - cd tests + - export OMP_NUM_THREADS=3 + - ./travis.sh + - cd .. diff --git a/src/CMakeLists.txt b/CMakeLists.txt similarity index 70% rename from src/CMakeLists.txt rename to CMakeLists.txt index 06c044e42c..45b626324c 100644 --- a/src/CMakeLists.txt +++ b/CMakeLists.txt @@ -21,23 +21,27 @@ endif() option(openmp "Enable shared-memory parallelism with OpenMP" OFF) option(profile "Compile with profiling flags" OFF) -option(petsc "Enable PETSC for use in CMFD acceleration" OFF) option(debug "Compile with debug flags" OFF) option(optimize "Turn on all compiler optimization flags" OFF) option(verbose "Create verbose Makefiles" OFF) -option(coverage "Compile with flags" OFF) +option(coverage "Compile with coverage analysis flags" OFF) +option(mpif08 "Use Fortran 2008 MPI interface" OFF) if (verbose) set(CMAKE_VERBOSE_MAKEFILE on) endif() +# Maximum number of nested coordinates levels +set(maxcoord 10 CACHE STRING "Maximum number of nested coordinate levels") +add_definitions(-DMAX_COORD=${maxcoord}) + #=============================================================================== # MPI for distributed-memory parallelism / HDF5 for binary output #=============================================================================== set(MPI_ENABLED FALSE) set(HDF5_ENABLED FALSE) -if($ENV{FC} MATCHES "mpi.*") +if($ENV{FC} MATCHES "mpi[^/]*$") message("-- Detected MPI wrapper: $ENV{FC}") add_definitions(-DMPI) set(MPI_ENABLED TRUE) @@ -52,11 +56,24 @@ elseif($ENV{FC} MATCHES "h5pfc$") set(HDF5_ENABLED TRUE) endif() +# Check for Fortran 2008 MPI interface +if(MPI_ENABLED AND mpif08) + message("-- Using Fortran 2008 MPI bindings") + add_definitions(-DMPIF08) +endif() + #=============================================================================== # Set compile/link flags based on which compiler is being used #=============================================================================== if(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU") + # Make sure version is sufficient + execute_process(COMMAND ${CMAKE_Fortran_COMPILER} -dumpversion + OUTPUT_VARIABLE GCC_VERSION) + if(GCC_VERSION VERSION_LESS 4.6) + message(FATAL_ERROR "gfortran version must be 4.6 or higher") + endif() + # GNU Fortran compiler options set(f90flags "-cpp -std=f2008 -fbacktrace") if(debug) @@ -116,7 +133,8 @@ elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "PGI") elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "XL") # IBM XL compiler options - set(f90flags "-WF,-DNO_F2008 -O2") + set(f90flags "-O2") + add_definitions(-DNO_F2008) if(debug) set(f90flags "-g -C -qflag=i:i -u") set(ldflags "-g") @@ -143,78 +161,6 @@ elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "Cray") endif() -#=============================================================================== -# PETSc for CMFD functionality -#=============================================================================== - -set (PETSC_ENABLED FALSE) -if(petsc) - set(PETSC_ENABLED TRUE) - find_package(PETSc REQUIRED HINTS $ENV{PETSC_DIR}/conf) - find_library(libpetsc petsc $ENV{PETSC_DIR}/lib) - - # If libfblas wasn't found, search the PETSc lib directory - if(PETSC_FBLAS_LIB STREQUAL "PETSC_FBLAS_LIB-NOTFOUND") - find_library(PETSC_FBLAS_LIB fblas $ENV{PETSC_DIR}/lib) - list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_FBLAS_LIB-NOTFOUND) - list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_FBLAS_LIB}) - endif() - - # If libflapack wasn't found, search the PETSc lib directory - if(PETSC_FLAPACK_LIB STREQUAL "PETSC_FLAPACK_LIB-NOTFOUND") - find_library(PETSC_FLAPACK_LIB flapack $ENV{PETSC_DIR}/lib) - list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_FLAPACK_LIB-NOTFOUND) - list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_FLAPACK_LIB}) - endif() - - # If libdl wasn't found, search /usr/lib64 - if(PETSC_DL_LIB STREQUAL "PETSC_DL_LIB-NOTFOUND") - find_library(PETSC_DL_LIB libdl.so /usr/lib64) - list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_DL_LIB-NOTFOUND) - list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_DL_LIB}) - endif() - - # If libm wasn't found, search /usr/lib64 - if(PETSC_M_LIB STREQUAL "PETSC_M_LIB-NOTFOUND") - find_library(PETSC_M_LIB libm.so /usr/lib64) - list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_M_LIB-NOTFOUND) - list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_M_LIB}) - endif() - - # If libpthread wasn't found, search /usr/lib64 - if(PETSC_PTHREAD_LIB STREQUAL "PETSC_PTHREAD_LIB-NOTFOUND") - find_library(PETSC_PTHREAD_LIB libpthread.so /usr/lib64) - list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_PTHREAD_LIB-NOTFOUND) - list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_PTHREAD_LIB}) - endif() - - # If librt wasn't found, search /usr/lib64 - if(PETSC_RT_LIB STREQUAL "PETSC_RT_LIB-NOTFOUND") - find_library(PETSC_RT_LIB librt.so /usr/lib64) - list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_RT_LIB-NOTFOUND) - list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_RT_LIB}) - endif() - - # If libssl wasn't found, search /usr/lib64 - if(PETSC_SSL_LIB STREQUAL "PETSC_SSL_LIB-NOTFOUND") - find_library(PETSC_SSL_LIB libssl.so /usr/lib64) - list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_SSL_LIB-NOTFOUND) - list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_SSL_LIB}) - endif() - - # If libcrypto wasn't found, search /usr/lib64 - if(PETSC_CRYPTO_LIB STREQUAL "PETSC_CRYPTO_LIB-NOTFOUND") - find_library(PETSC_CRYPTO_LIB libcrypto.so /usr/lib64) - list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_CRYPTO_LIB-NOTFOUND) - list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_CRYPTO_LIB}) - endif() - - message("-- Using PETSC: ${libpetsc}") - add_definitions(-DPETSC) - include_directories($ENV{PETSC_DIR}/include) - set(libraries "${libpetsc};${PETSC_PACKAGE_LIBS};${libraries}") -endif() - #=============================================================================== # git SHA1 hash #=============================================================================== @@ -234,21 +180,29 @@ endif() # Only initialize git submodules if it is not there. User is responsible # for future updates of fox xml submodule. -if(NOT EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/xml/fox/.git) - message("-- Initializing/Updating FoX XML submodule...") - execute_process(COMMAND git submodule init - WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/..) - execute_process(COMMAND git submodule update - WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/..) +if(NOT EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/src/xml/fox/.git) + if(NOT EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/.git) + message("-- Cloning FoX XML git repository...") + execute_process(COMMAND git clone https://github.com/mit-crpg/fox.git src/xml/fox + WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}) + execute_process(COMMAND git checkout bdc852f4f43d969fb1b179cba79295c1e095a455 + WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/src/xml/fox) + else() + message("-- Initializing/Updating FoX XML submodule...") + execute_process(COMMAND git submodule init + WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}) + execute_process(COMMAND git submodule update + WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}) + endif() endif() -add_subdirectory(xml/fox) +add_subdirectory(src/xml/fox) #=============================================================================== # Build OpenMC executable #=============================================================================== set(program "openmc") -file(GLOB source *.F90 xml/openmc_fox.F90) +file(GLOB source src/*.F90 src/xml/openmc_fox.F90) add_executable(${program} ${source}) target_link_libraries(${program} ${libraries} fox_dom) set_target_properties(${program} PROPERTIES @@ -260,24 +214,16 @@ set_target_properties(${program} PROPERTIES #=============================================================================== install(TARGETS ${program} RUNTIME DESTINATION bin) -install(PROGRAMS utils/statepoint_cmp.py - DESTINATION bin - RENAME statepoint_cmp) -install(PROGRAMS utils/statepoint_histogram.py - DESTINATION bin - RENAME statepoint_histogram) -install(PROGRAMS utils/statepoint_meshplot.py - DESTINATION bin - RENAME statepoint_meshplot) -install(FILES ../man/man1/openmc.1 DESTINATION share/man/man1) -install(FILES ../LICENSE DESTINATION "share/doc/${program}/copyright") +install(DIRECTORY src/relaxng DESTINATION share/openmc) +install(FILES man/man1/openmc.1 DESTINATION share/man/man1) +install(FILES LICENSE DESTINATION "share/doc/${program}/copyright") find_package(PythonInterp) if(PYTHONINTERP_FOUND) install(CODE "execute_process( COMMAND ${PYTHON_EXECUTABLE} setup.py install --prefix=${CMAKE_INSTALL_PREFIX} - WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/utils)") + WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})") endif() #=============================================================================== @@ -288,15 +234,7 @@ endif() include(CTest) # Get a list of all the tests to run -file(GLOB_RECURSE TESTS ${CMAKE_CURRENT_SOURCE_DIR}/../tests/test_*.py) - -# Check to see if PETSC is compiled for CMFD tests -if (NOT ${PETSC_ENABLED}) - file(GLOB_RECURSE CMFD_TESTS ${CMAKE_CURRENT_SOURCE_DIR}/../tests/test_cmfd_jfnk.py) - foreach(cmfd_test in ${CMFD_TESTS}) - list(REMOVE_ITEM TESTS ${cmfd_test}) - endforeach(cmfd_test) -endif(NOT ${PETSC_ENABLED}) +file(GLOB_RECURSE TESTS ${CMAKE_CURRENT_SOURCE_DIR}/tests/test_*.py) # Check for MEM_CHECK and COVERAGE variables if (DEFINED ENV{MEM_CHECK}) @@ -349,6 +287,22 @@ foreach(test ${TESTS}) WORKING_DIRECTORY ${TEST_PATH} COMMAND $ -p ${TEST_PATH}) + elseif(${test} MATCHES "test_filter_distribcell") + + # Add each case for distribcell tests + add_test(NAME ${TEST_NAME}_case-1 + WORKING_DIRECTORY ${TEST_PATH}/case-1 + COMMAND $ ${TEST_PATH}/case-1) + add_test(NAME ${TEST_NAME}_case-2 + WORKING_DIRECTORY ${TEST_PATH}/case-2 + COMMAND $ ${TEST_PATH}/case-2) + add_test(NAME ${TEST_NAME}_case-3 + WORKING_DIRECTORY ${TEST_PATH}/case-3 + COMMAND $ ${TEST_PATH}/case-3) + add_test(NAME ${TEST_NAME}_case-4 + WORKING_DIRECTORY ${TEST_PATH}/case-4 + COMMAND $ ${TEST_PATH}/case-4) + # If a restart test is encounted, need to run with -r and restart file(s) elseif(${test} MATCHES "restart") diff --git a/src/CTestConfig.cmake b/CTestConfig.cmake similarity index 100% rename from src/CTestConfig.cmake rename to CTestConfig.cmake diff --git a/src/Makefile b/Makefile similarity index 100% rename from src/Makefile rename to Makefile diff --git a/data/get_nndc_data.py b/data/get_nndc_data.py index 12a6de6e0b..18c94dd64f 100755 --- a/data/get_nndc_data.py +++ b/data/get_nndc_data.py @@ -8,6 +8,12 @@ import sys import tarfile import glob import hashlib +import argparse + +parser = argparse.ArgumentParser() +parser.add_argument('-b', '--batch', action = 'store_true', + help = 'supresses standard in') +args = parser.parse_args() try: from urllib.request import urlopen @@ -15,8 +21,8 @@ except ImportError: from urllib2 import urlopen cwd = os.getcwd() -sys.path.append(os.path.join(cwd, '..', 'src', 'utils')) -from convert_binary import ascii_to_binary +sys.path.insert(0, os.path.join(cwd, '..')) +from openmc.ace import ascii_to_binary baseUrl = 'http://www.nndc.bnl.gov/endf/b7.1/aceFiles/' files = ['ENDF-B-VII.1-neutron-293.6K.tar.gz', @@ -73,7 +79,7 @@ for f in files: print('Verifying MD5 checksums...') for f, checksum in zip(files, checksums): - downloadsum = hashlib.md5(open(f, 'r').read()).hexdigest() + downloadsum = hashlib.md5(open(f, 'rb').read()).hexdigest() if downloadsum != checksum: raise IOError("MD5 checksum for {} does not match. If this is your first " "time receiving this message, please re-run the script. " @@ -118,10 +124,13 @@ shutil.copyfile('cross_sections_nndc.xml', 'nndc/cross_sections.xml') # PROMPT USER TO DELETE .TAR.GZ FILES # Ask user to delete -if sys.version_info[0] < 3: - response = raw_input('Delete *.tar.gz files? ([y]/n) ') +if not args.batch: + if sys.version_info[0] < 3: + response = raw_input('Delete *.tar.gz files? ([y]/n) ') + else: + response = input('Delete *.tar.gz files? ([y]/n) ') else: - response = input('Delete *.tar.gz files? ([y]/n) ') + response = 'y' # Delete files if requested if not response or response.lower().startswith('y'): @@ -134,10 +143,13 @@ if not response or response.lower().startswith('y'): # PROMPT USER TO CONVERT ASCII TO BINARY # Ask user to convert -if sys.version_info[0] < 3: - response = raw_input('Convert ACE files to binary? ([y]/n) ') +if not args.batch: + if sys.version_info[0] < 3: + response = raw_input('Convert ACE files to binary? ([y]/n) ') + else: + response = input('Convert ACE files to binary? ([y]/n) ') else: - response = input('Convert ACE files to binary? ([y]/n) ') + response = 'y' # Convert files if requested if not response or response.lower().startswith('y'): diff --git a/docs/source/_images/hex_lat.svg b/docs/source/_images/hex_lat.svg new file mode 100644 index 0000000000..cc150e711e --- /dev/null +++ b/docs/source/_images/hex_lat.svg @@ -0,0 +1,780 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/docs/source/_images/rect_lat.svg b/docs/source/_images/rect_lat.svg new file mode 100644 index 0000000000..cec6260c63 --- /dev/null +++ b/docs/source/_images/rect_lat.svg @@ -0,0 +1,711 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/docs/source/conf.py b/docs/source/conf.py index 5af14cc6e2..4a18f14de5 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -17,13 +17,19 @@ import sys, os # add these directories to sys.path here. If the directory is relative to the # documentation root, use os.path.abspath to make it absolute, like shown here. sys.path.insert(0, os.path.abspath('../sphinxext')) +sys.path.insert(0, os.path.abspath('../..')) # -- General configuration ----------------------------------------------------- # Add any Sphinx extension module names here, as strings. They can be extensions # coming with Sphinx (named 'sphinx.ext.*') or your custom ones. -extensions = ['sphinx.ext.pngmath', 'sphinxcontrib.tikz'] +extensions = ['sphinx.ext.autodoc', + 'sphinx.ext.napoleon', + 'sphinx.ext.pngmath', + 'sphinxcontrib.tikz', + 'sphinx_numfig', + 'notebook_sphinxext'] # Add any paths that contain templates here, relative to this directory. templates_path = ['_templates'] @@ -39,16 +45,16 @@ master_doc = 'index' # General information about the project. project = u'OpenMC' -copyright = u'2011-2014, Massachusetts Institute of Technology' +copyright = u'2011-2015, Massachusetts Institute of Technology' # The version info for the project you're documenting, acts as replacement for # |version| and |release|, also used in various other places throughout the # built documents. # # The short X.Y version. -version = "0.6" +version = "0.7" # The full version, including alpha/beta/rc tags. -release = "0.6.2" +release = "0.7.0" # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. @@ -189,12 +195,19 @@ latex_documents = [ ] latex_elements = { -'preamble': ''' +'preamble': r""" \usepackage{enumitem} +\usepackage{amsfonts} +\usepackage{amsmath} \setlistdepth{9} \usepackage{tikz} \usetikzlibrary{shapes,snakes,shadows,arrows,calc,decorations.markings,patterns,fit,matrix,spy} -''' +\usepackage{fixltx2e} +\hypersetup{bookmarksdepth=3} +\setcounter{tocdepth}{2} +\numberwithin{equation}{section} +""", +'printindex': r"" } # The name of an image file (relative to this directory) to place at the top of diff --git a/docs/source/developers.rst b/docs/source/developers.rst index d4e9570a8d..d82d89744a 100644 --- a/docs/source/developers.rst +++ b/docs/source/developers.rst @@ -11,7 +11,8 @@ Active development of the OpenMC Monte Carlo code is currently led by: * `Nick Horelik `_ * `Adam Nelson `_ * `Jon Walsh `_ -* `Sterling Harper `_ +* `Sterling Harper `_ +* `Will Boyd `_ * `Benoit Forget `_ * `Kord Smith `_ * `Andrew Siegel `_ diff --git a/docs/source/devguide/docbuild.rst b/docs/source/devguide/docbuild.rst new file mode 100644 index 0000000000..4c62ca179f --- /dev/null +++ b/docs/source/devguide/docbuild.rst @@ -0,0 +1,62 @@ +.. _devguide_docbuild: + +============================= +Building Sphinx Documentation +============================= + +In order to build the documentation in the ``docs`` directory, you will need to +have the Sphinx_ third-party Python package. The easiest way to install Sphinx +is via pip: + +.. code-block:: sh + + sudo pip install sphinx + +Additionally, you will also need two Sphinx extensions for TikZ support and +numbering figures. The sphinxcontrib-tikz_ package should be installed directly +from the git repository as such: + +.. code-block:: sh + + sudo pip install https://bitbucket.org/philexander/tikz/get/HEAD.tar.gz + +The Numfig_ package can be installed directly with pip: + +.. code-block:: sh + + sudo pip install sphinx-numfig + +----------------------------------- +Building Documentation as a Webpage +----------------------------------- + +To build the documentation as a webpage (what appears at +http://mit-crpg.github.io/openmc), simply go to the ``docs`` directory and run: + +.. code-block:: sh + + make html + +------------------------------- +Building Documentation as a PDF +------------------------------- + +To build PDF documentation, you will need to have a LaTeX distribution installed +on your computer as well as Inkscape_, which is used to convert .svg files to +.pdf files. Inkscape can be installed in a Debian-derivative with: + +.. code-block:: sh + + sudo apt-get install inkscape + +One the pre-requisites are installed, simply go to the ``docs`` directory and +run: + +.. code-block:: sh + + make latexpdf + +.. _Sphinx: http://sphinx-doc.org +.. _sphinxcontrib-tikz: https://bitbucket.org/philexander/tikz +.. _Numfig: https://pypi.python.org/pypi/sphinx_numfig +.. _Inkscape: https://inkscape.org diff --git a/docs/source/devguide/index.rst b/docs/source/devguide/index.rst index 999de9a536..03838363c9 100644 --- a/docs/source/devguide/index.rst +++ b/docs/source/devguide/index.rst @@ -18,3 +18,4 @@ as debugging. xml-parsing statepoint voxel + docbuild diff --git a/docs/source/devguide/statepoint.rst b/docs/source/devguide/statepoint.rst index 0fc02171c6..4a1db94788 100644 --- a/docs/source/devguide/statepoint.rst +++ b/docs/source/devguide/statepoint.rst @@ -4,9 +4,7 @@ State Point Binary File Specifications ====================================== ------------ -Revision 13 ------------ +The current revision of the statepoint binary file is 13. **integer(4) FILETYPE_STATEPOINT** @@ -214,18 +212,19 @@ if (run_mode == MODE_EIGENVALUE) **integer(4) tallies(i) % score_bins(j)** Values of specified scoring bins (e.g. SCORE_FLUX). - - *do j = 1, tallies(i) % n_score_bins* - **integer(4) tallies(i) % scatt_order(j)** - - Scattering Order specified scoring bins. - **integer(4) tallies(i) % n_score_bins** Number of scoring bins without accounting for those added by the scatter-pn command. + *do j = 1, tallies(i) % n_user_score_bins* + + **character(8) tallies(i) % moment_order(j)** + + Tallying moment order for Legendre and spherical + harmonic tally expansions (*e.g.*, 'P2', 'Y1,2', etc.). + **integer(4) source_present** Flag indicated if source bank is present in the file @@ -290,2357 +289,3 @@ if (run_mode == MODE_EIGENVALUE and source_present) Energy of the i-th source particle. ------------ -Revision 12 ------------ - -Same as revision 11, except **tallies(i) % scatt_order(j)** is now **tallies(i) -% moment_order(j)**. - ------------ -Revision 11 ------------ - -**integer(4) FILETYPE_STATEPOINT** - - Flags whether this file is a statepoint file or a particle restart file. - -**integer(4) REVISION_STATEPOINT** - - Revision of the binary state point file. Any time a change is made in the - format of the state-point file, this integer is incremented. - -**integer(4) VERSION_MAJOR** - - Major version number for OpenMC - -**integer(4) VERSION_MINOR** - - Minor version number for OpenMC - -**integer(4) VERSION_RELEASE** - - Release version number for OpenMC - -**character(19) time_stamp** - - Date and time the state point was written. - -**character(255) path** - - Absolute path to directory containing input files. - -**integer(8) seed** - - Pseudo-random number generator seed. - -**integer(4) run_mode** - - run mode used. The modes are described in constants.F90. - -**integer(8) n_particles** - - Number of particles used per generation. - -**integer(4) n_batches** - - Total number of batches (active + inactive). - -**integer(4) current_batch** - - The number of batches already simulated. - -if (run_mode == MODE_EIGENVALUE) - - **integer(4) n_inactive** - - Number of inactive batches - - **integer(4) gen_per_batch** - - Number of generations per batch for criticality calculations - - *do i = 1, current_batch \* gen_per_batch* - - **real(8) k_generation(i)** - - k-effective for the i-th total generation - - *do i = 1, current_batch \* gen_per_batch* - - **real(8) entropy(i)** - - Shannon entropy for the i-th total generation - - **real(8) k_col_abs** - - Sum of product of collision/absorption estimates of k-effective - - **real(8) k_col_tra** - - Sum of product of collision/track-length estimates of k-effective - - **real(8) k_abs_tra** - - Sum of product of absorption/track-length estimates of k-effective - - **real(8) k_combined(2)** - - Mean and standard deviation of a combined estimate of k-effective - - **integer(4) cmfd_on** - - Flag that cmfd is on - - if (cmfd_on) - - **integer(4) cmfd % indices** - - Indices for cmfd mesh (i,j,k,g) - - **real(8) cmfd % k_cmfd(1:current_batch)** - - CMFD eigenvalues - - **real(8) cmfd % src(1:G,1:I,1:J,1:K)** - - CMFD fission source - - **real(8) cmfd % entropy(1:current_batch)** - - CMFD estimate of Shannon entropy - - **real(8) cmfd % balance(1:current_batch)** - - RMS of the residual neutron balance equation on CMFD mesh - - **real(8) cmfd % dom(1:current_batch)** - - CMFD estimate of dominance ratio - - **real(8) cmfd % scr_cmp(1:current_batch)** - - RMS comparison of difference between OpenMC and CMFD fission source - -**integer(4) n_meshes** - - Number of meshes in tallies.xml file - -*do i = 1, n_meshes* - - **integer(4) meshes(i) % id** - - Unique ID of mesh. - - **integer(4) meshes(i) % type** - - Type of mesh. - - **integer(4) meshes(i) % n_dimension** - - Number of dimensions for mesh (2 or 3). - - **integer(4) meshes(i) % dimension(:)** - - Number of mesh cells in each dimension. - - **real(8) meshes(i) % lower_left(:)** - - Coordinates of lower-left corner of mesh. - - **real(8) meshes(i) % upper_right(:)** - - Coordinates of upper-right corner of mesh. - - **real(8) meshes(i) % width(:)** - - Width of each mesh cell in each dimension. - -**integer(4) n_tallies** - -*do i = 1, n_tallies* - - **integer(4) tallies(i) % id** - - Unique ID of tally. - - **integer(4) tallies(i) % n_realizations** - - Number of realizations for the i-th tally. - - **integer(4) size(tallies(i) % scores, 1)** - - Total number of score bins for the i-th tally - - **integer(4) size(tallies(i) % scores, 2)** - - Total number of filter bins for the i-th tally - - **integer(4) tallies(i) % n_filters** - - *do j = 1, tallies(i) % n_filters* - - **integer(4) tallies(i) % filter(j) % type** - - Type of tally filter. - - **integer(4) tallies(i) % filter(j) % n_bins** - - Number of bins for filter. - - **integer(4)/real(8) tallies(i) % filter(j) % bins(:)** - - Value for each filter bin of this type. - - **integer(4) tallies(i) % n_nuclide_bins** - - Number of nuclide bins. If none are specified, this is just one. - - *do j = 1, tallies(i) % n_nuclide_bins* - - **integer(4) tallies(i) % nuclide_bins(j)** - - Values of specified nuclide bins - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins. - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % score_bins(j)** - - Values of specified scoring bins (e.g. SCORE_FLUX). - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % scatt_order(j)** - - Scattering Order specified scoring bins. - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins without accounting for those added by - the scatter-pn command. - -**integer(4) source_present** - - Flag indicated if source bank is present in the file - -**integer(4) n_realizations** - - Number of realizations for global tallies. - -**integer(4) N_GLOBAL_TALLIES** - - Number of global tally scores - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum** - - Accumulated sum for the i-th global tally - - **real(8) global_tallies(i) % sum_sq** - - Accumulated sum of squares for the i-th global tally - -**integer(4) tallies_on** - - Flag indicated if tallies are present in the file. - -if (tallies_on > 0) - - *do i = 1, n_tallies* - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum** - - Accumulated sum for the j-th score and k-th filter of the - i-th tally - - **real(8) tallies(i) % scores(j,k) % sum_sq** - - Accumulated sum of squares for the j-th score and k-th - filter of the i-th tally - -if (run_mode == MODE_EIGENVALUE and source_present) - - *do i = 1, n_particles* - - **real(8) source_bank(i) % wgt** - - Weight of the i-th source particle - - **real(8) source_bank(i) % xyz(1:3)** - - Coordinates of the i-th source particle. - - **real(8) source_bank(i) % uvw(1:3)** - - Direction of the i-th source particle - - **real(8) source_bank(i) % E** - - Energy of the i-th source particle. - ------------ -Revision 10 ------------ - -**integer(4) FILETYPE_STATEPOINT** - - Flags whether this file is a statepoint file or a particle restart file. - -**integer(4) REVISION_STATEPOINT** - - Revision of the binary state point file. Any time a change is made in the - format of the state-point file, this integer is incremented. - -**integer(4) VERSION_MAJOR** - - Major version number for OpenMC - -**integer(4) VERSION_MINOR** - - Minor version number for OpenMC - -**integer(4) VERSION_RELEASE** - - Release version number for OpenMC - -**character(19) time_stamp** - - Date and time the state point was written. - -**character(255) path** - - Absolute path to directory containing input files. - -**integer(8) seed** - - Pseudo-random number generator seed. - -**integer(4) run_mode** - - run mode used. The modes are described in constants.F90. - -**integer(8) n_particles** - - Number of particles used per generation. - -**integer(4) n_batches** - - Total number of batches (active + inactive). - -**integer(4) current_batch** - - The number of batches already simulated. - -if (run_mode == MODE_EIGENVALUE) - - **integer(4) n_inactive** - - Number of inactive batches - - **integer(4) gen_per_batch** - - Number of generations per batch for criticality calculations - - *do i = 1, current_batch \* gen_per_batch* - - **real(8) k_generation(i)** - - k-effective for the i-th total generation - - *do i = 1, current_batch \* gen_per_batch* - - **real(8) entropy(i)** - - Shannon entropy for the i-th total generation - - **real(8) k_col_abs** - - Sum of product of collision/absorption estimates of k-effective - - **real(8) k_col_tra** - - Sum of product of collision/track-length estimates of k-effective - - **real(8) k_abs_tra** - - Sum of product of absorption/track-length estimates of k-effective - - **real(8) k_combined(2)** - - Mean and standard deviation of a combined estimate of k-effective - - **integer(4) cmfd_on** - - Flag that cmfd is on - - if (cmfd_on) - - **integer(4) cmfd % indices** - - Indices for cmfd mesh (i,j,k,g) - - **real(8) cmfd % k_cmfd(1:current_batch)** - - CMFD eigenvalues - - **real(8) cmfd % src(1:I,1:J,1:K,1:G)** - - CMFD fission source - - **real(8) cmfd % entropy(1:current_batch)** - - CMFD estimate of Shannon entropy - - **real(8) cmfd % balance(1:current_batch)** - - RMS of the residual neutron balance equation on CMFD mesh - - **real(8) cmfd % dom(1:current_batch)** - - CMFD estimate of dominance ratio - - **real(8) cmfd % scr_cmp(1:current_batch)** - - RMS comparison of difference between OpenMC and CMFD fission source - -**integer(4) n_meshes** - - Number of meshes in tallies.xml file - -*do i = 1, n_meshes* - - **integer(4) meshes(i) % id** - - Unique ID of mesh. - - **integer(4) meshes(i) % type** - - Type of mesh. - - **integer(4) meshes(i) % n_dimension** - - Number of dimensions for mesh (2 or 3). - - **integer(4) meshes(i) % dimension(:)** - - Number of mesh cells in each dimension. - - **real(8) meshes(i) % lower_left(:)** - - Coordinates of lower-left corner of mesh. - - **real(8) meshes(i) % upper_right(:)** - - Coordinates of upper-right corner of mesh. - - **real(8) meshes(i) % width(:)** - - Width of each mesh cell in each dimension. - -**integer(4) n_tallies** - -*do i = 1, n_tallies* - - **integer(4) tallies(i) % id** - - Unique ID of tally. - - **integer(4) tallies(i) % n_realizations** - - Number of realizations for the i-th tally. - - **integer(4) size(tallies(i) % scores, 1)** - - Total number of score bins for the i-th tally - - **integer(4) size(tallies(i) % scores, 2)** - - Total number of filter bins for the i-th tally - - **integer(4) tallies(i) % n_filters** - - *do j = 1, tallies(i) % n_filters* - - **integer(4) tallies(i) % filter(j) % type** - - Type of tally filter. - - **integer(4) tallies(i) % filter(j) % n_bins** - - Number of bins for filter. - - **integer(4)/real(8) tallies(i) % filter(j) % bins(:)** - - Value for each filter bin of this type. - - **integer(4) tallies(i) % n_nuclide_bins** - - Number of nuclide bins. If none are specified, this is just one. - - *do j = 1, tallies(i) % n_nuclide_bins* - - **integer(4) tallies(i) % nuclide_bins(j)** - - Values of specified nuclide bins - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins. - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % score_bins(j)** - - Values of specified scoring bins (e.g. SCORE_FLUX). - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % scatt_order(j)** - - Scattering Order specified scoring bins. - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins without accounting for those added by - the scatter-pn command. - -**integer(4) n_realizations** - - Number of realizations for global tallies. - -**integer(4) N_GLOBAL_TALLIES** - - Number of global tally scores - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum** - - Accumulated sum for the i-th global tally - - **real(8) global_tallies(i) % sum_sq** - - Accumulated sum of squares for the i-th global tally - -**integer(4) tallies_on** - - Flag indicated if tallies are present in the file. - -if (tallies_on > 0) - - *do i = 1, n_tallies* - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum** - - Accumulated sum for the j-th score and k-th filter of the - i-th tally - - **real(8) tallies(i) % scores(j,k) % sum_sq** - - Accumulated sum of squares for the j-th score and k-th - filter of the i-th tally - -if (run_mode == MODE_EIGENVALUE) - - *do i = 1, n_particles* - - **real(8) source_bank(i) % wgt** - - Weight of the i-th source particle - - **real(8) source_bank(i) % xyz(1:3)** - - Coordinates of the i-th source particle. - - **real(8) source_bank(i) % uvw(1:3)** - - Direction of the i-th source particle - - **real(8) source_bank(i) % E** - - Energy of the i-th source particle. - ----------- -Revision 9 ----------- - -**integer(4) FILETYPE_STATEPOINT** - - Flags whether this file is a statepoint file or a particle restart file. - -**integer(4) REVISION_STATEPOINT** - - Revision of the binary state point file. Any time a change is made in the - format of the state-point file, this integer is incremented. - -**integer(4) VERSION_MAJOR** - - Major version number for OpenMC - -**integer(4) VERSION_MINOR** - - Minor version number for OpenMC - -**integer(4) VERSION_RELEASE** - - Release version number for OpenMC - -**character(19) time_stamp** - - Date and time the state point was written. - -**character(255) path** - - Absolute path to directory containing input files. - -**integer(8) seed** - - Pseudo-random number generator seed. - -**integer(4) run_mode** - - run mode used. The modes are described in constants.F90. - -**integer(8) n_particles** - - Number of particles used per generation. - -**integer(4) n_batches** - - Total number of batches (active + inactive). - -**integer(4) current_batch** - - The number of batches already simulated. - -if (run_mode == MODE_EIGENVALUE) - - **integer(4) n_inactive** - - Number of inactive batches - - **integer(4) gen_per_batch** - - Number of generations per batch for criticality calculations - - *do i = 1, current_batch \* gen_per_batch* - - **real(8) k_generation(i)** - - k-effective for the i-th total generation - - *do i = 1, current_batch \* gen_per_batch* - - **real(8) entropy(i)** - - Shannon entropy for the i-th total generation - - **real(8) k_col_abs** - - Sum of product of collision/absorption estimates of k-effective - - **real(8) k_col_tra** - - Sum of product of collision/track-length estimates of k-effective - - **real(8) k_abs_tra** - - Sum of product of absorption/track-length estimates of k-effective - - **real(8) k_combined(2)** - - Mean and standard deviation of a combined estimate of k-effective - -**integer(4) n_meshes** - - Number of meshes in tallies.xml file - -*do i = 1, n_meshes* - - **integer(4) meshes(i) % id** - - Unique ID of mesh. - - **integer(4) meshes(i) % type** - - Type of mesh. - - **integer(4) meshes(i) % n_dimension** - - Number of dimensions for mesh (2 or 3). - - **integer(4) meshes(i) % dimension(:)** - - Number of mesh cells in each dimension. - - **real(8) meshes(i) % lower_left(:)** - - Coordinates of lower-left corner of mesh. - - **real(8) meshes(i) % upper_right(:)** - - Coordinates of upper-right corner of mesh. - - **real(8) meshes(i) % width(:)** - - Width of each mesh cell in each dimension. - -**integer(4) n_tallies** - -*do i = 1, n_tallies* - - **integer(4) tallies(i) % id** - - Unique ID of tally. - - **integer(4) tallies(i) % n_realizations** - - Number of realizations for the i-th tally. - - **integer(4) size(tallies(i) % scores, 1)** - - Total number of score bins for the i-th tally - - **integer(4) size(tallies(i) % scores, 2)** - - Total number of filter bins for the i-th tally - - **integer(4) tallies(i) % n_filters** - - *do j = 1, tallies(i) % n_filters* - - **integer(4) tallies(i) % filter(j) % type** - - Type of tally filter. - - **integer(4) tallies(i) % filter(j) % n_bins** - - Number of bins for filter. - - **integer(4)/real(8) tallies(i) % filter(j) % bins(:)** - - Value for each filter bin of this type. - - **integer(4) tallies(i) % n_nuclide_bins** - - Number of nuclide bins. If none are specified, this is just one. - - *do j = 1, tallies(i) % n_nuclide_bins* - - **integer(4) tallies(i) % nuclide_bins(j)** - - Values of specified nuclide bins - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins. - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % score_bins(j)** - - Values of specified scoring bins (e.g. SCORE_FLUX). - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % scatt_order(j)** - - Scattering Order specified scoring bins. - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins without accounting for those added by - the scatter-pn command. - -**integer(4) n_realizations** - - Number of realizations for global tallies. - -**integer(4) N_GLOBAL_TALLIES** - - Number of global tally scores - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum** - - Accumulated sum for the i-th global tally - - **real(8) global_tallies(i) % sum_sq** - - Accumulated sum of squares for the i-th global tally - -**integer(4) tallies_on** - - Flag indicated if tallies are present in the file. - -if (tallies_on > 0) - - *do i = 1, n_tallies* - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum** - - Accumulated sum for the j-th score and k-th filter of the - i-th tally - - **real(8) tallies(i) % scores(j,k) % sum_sq** - - Accumulated sum of squares for the j-th score and k-th - filter of the i-th tally - -if (run_mode == MODE_EIGENVALUE) - - *do i = 1, n_particles* - - **real(8) source_bank(i) % wgt** - - Weight of the i-th source particle - - **real(8) source_bank(i) % xyz(1:3)** - - Coordinates of the i-th source particle. - - **real(8) source_bank(i) % uvw(1:3)** - - Direction of the i-th source particle - - **real(8) source_bank(i) % E** - - Energy of the i-th source particle. - ----------- -Revision 8 ----------- - -**integer(4) REVISION_STATEPOINT** - - Revision of the binary state point file. Any time a change is made in the - format of the state-point file, this integer is incremented. - -**integer(4) VERSION_MAJOR** - - Major version number for OpenMC - -**integer(4) VERSION_MINOR** - - Minor version number for OpenMC - -**integer(4) VERSION_RELEASE** - - Release version number for OpenMC - -**character(19) time_stamp** - - Date and time the state point was written. - -**character(255) path** - - Absolute path to directory containing input files. - -**integer(8) seed** - - Pseudo-random number generator seed. - -**integer(4) run_mode** - - run mode used. The modes are described in constants.F90. - -**integer(8) n_particles** - - Number of particles used per generation. - -**integer(4) n_batches** - - Total number of batches (active + inactive). - -**integer(4) current_batch** - - The number of batches already simulated. - -if (run_mode == MODE_EIGENVALUE) - - **integer(4) n_inactive** - - Number of inactive batches - - **integer(4) gen_per_batch** - - Number of generations per batch for criticality calculations - - *do i = 1, current_batch* - - **real(8) k_batch(i)** - - k-effective for the i-th batch - - *do i = 1, current_batch \* gen_per_batch* - - **real(8) entropy(i)** - - Shannon entropy for the i-th batch - - **real(8) k_col_abs** - - Sum of product of collision/absorption estimates of k-effective - - **real(8) k_col_tra** - - Sum of product of collision/track-length estimates of k-effective - - **real(8) k_abs_tra** - - Sum of product of absorption/track-length estimates of k-effective - - **real(8) k_combined(2)** - - Mean and standard deviation of a combined estimate of k-effective - -**integer(4) n_meshes** - - Number of meshes in tallies.xml file - -*do i = 1, n_meshes* - - **integer(4) meshes(i) % id** - - Unique ID of mesh. - - **integer(4) meshes(i) % type** - - Type of mesh. - - **integer(4) meshes(i) % n_dimension** - - Number of dimensions for mesh (2 or 3). - - **integer(4) meshes(i) % dimension(:)** - - Number of mesh cells in each dimension. - - **real(8) meshes(i) % lower_left(:)** - - Coordinates of lower-left corner of mesh. - - **real(8) meshes(i) % upper_right(:)** - - Coordinates of upper-right corner of mesh. - - **real(8) meshes(i) % width(:)** - - Width of each mesh cell in each dimension. - -**integer(4) n_tallies** - -*do i = 1, n_tallies* - - **integer(4) tallies(i) % id** - - Unique ID of tally. - - **integer(4) tallies(i) % n_realizations** - - Number of realizations for the i-th tally. - - **integer(4) size(tallies(i) % scores, 1)** - - Total number of score bins for the i-th tally - - **integer(4) size(tallies(i) % scores, 2)** - - Total number of filter bins for the i-th tally - - **integer(4) tallies(i) % n_filters** - - *do j = 1, tallies(i) % n_filters* - - **integer(4) tallies(i) % filter(j) % type** - - Type of tally filter. - - **integer(4) tallies(i) % filter(j) % n_bins** - - Number of bins for filter. - - **integer(4)/real(8) tallies(i) % filter(j) % bins(:)** - - Value for each filter bin of this type. - - **integer(4) tallies(i) % n_nuclide_bins** - - Number of nuclide bins. If none are specified, this is just one. - - *do j = 1, tallies(i) % n_nuclide_bins* - - **integer(4) tallies(i) % nuclide_bins(j)** - - Values of specified nuclide bins - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins. - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % score_bins(j)** - - Values of specified scoring bins (e.g. SCORE_FLUX). - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % scatt_order(j)** - - Scattering Order specified scoring bins. - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins without accounting for those added by - the scatter-pn command. - -**integer(4) n_realizations** - - Number of realizations for global tallies. - -**integer(4) N_GLOBAL_TALLIES** - - Number of global tally scores - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum** - - Accumulated sum for the i-th global tally - - **real(8) global_tallies(i) % sum_sq** - - Accumulated sum of squares for the i-th global tally - -**integer(4) tallies_on** - - Flag indicated if tallies are present in the file. - -if (tallies_on > 0) - - *do i = 1, n_tallies* - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum** - - Accumulated sum for the j-th score and k-th filter of the - i-th tally - - **real(8) tallies(i) % scores(j,k) % sum_sq** - - Accumulated sum of squares for the j-th score and k-th - filter of the i-th tally - -if (run_mode == MODE_EIGENVALUE) - - *do i = 1, n_particles* - - **real(8) source_bank(i) % wgt** - - Weight of the i-th source particle - - **real(8) source_bank(i) % xyz(1:3)** - - Coordinates of the i-th source particle. - - **real(8) source_bank(i) % uvw(1:3)** - - Direction of the i-th source particle - - **real(8) source_bank(i) % E** - - Energy of the i-th source particle. - ----------- -Revision 7 ----------- - -**integer(4) REVISION_STATEPOINT** - - Revision of the binary state point file. Any time a change is made in the - format of the state-point file, this integer is incremented. - -**integer(4) VERSION_MAJOR** - - Major version number for OpenMC - -**integer(4) VERSION_MINOR** - - Minor version number for OpenMC - -**integer(4) VERSION_RELEASE** - - Release version number for OpenMC - -**character(19) time_stamp** - - Date and time the state point was written. - -**character(255) path** - - Absolute path to directory containing input files. - -**integer(8) seed** - - Pseudo-random number generator seed. - -**integer(4) run_mode** - - run mode used. The modes are described in constants.F90. - -**integer(8) n_particles** - - Number of particles used per generation. - -**integer(4) n_batches** - - Total number of batches (active + inactive). - -**integer(4) current_batch** - - The number of batches already simulated. - -if (run_mode == MODE_EIGENVALUE) - - **integer(4) n_inactive** - - Number of inactive batches - - **integer(4) gen_per_batch** - - Number of generations per batch for criticality calculations - - *do i = 1, current_batch* - - **real(8) k_batch(i)** - - k-effective for the i-th batch - - *do i = 1, current_batch \* gen_per_batch* - - **real(8) entropy(i)** - - Shannon entropy for the i-th batch - -**integer(4) n_meshes** - - Number of meshes in tallies.xml file - -*do i = 1, n_meshes* - - **integer(4) meshes(i) % id** - - Unique ID of mesh. - - **integer(4) meshes(i) % type** - - Type of mesh. - - **integer(4) meshes(i) % n_dimension** - - Number of dimensions for mesh (2 or 3). - - **integer(4) meshes(i) % dimension(:)** - - Number of mesh cells in each dimension. - - **real(8) meshes(i) % lower_left(:)** - - Coordinates of lower-left corner of mesh. - - **real(8) meshes(i) % upper_right(:)** - - Coordinates of upper-right corner of mesh. - - **real(8) meshes(i) % width(:)** - - Width of each mesh cell in each dimension. - -**integer(4) n_tallies** - -*do i = 1, n_tallies* - - **integer(4) tallies(i) % id** - - Unique ID of tally. - - **integer(4) tallies(i) % n_realizations** - - Number of realizations for the i-th tally. - - **integer(4) size(tallies(i) % scores, 1)** - - Total number of score bins for the i-th tally - - **integer(4) size(tallies(i) % scores, 2)** - - Total number of filter bins for the i-th tally - - **integer(4) tallies(i) % n_filters** - - *do j = 1, tallies(i) % n_filters* - - **integer(4) tallies(i) % filter(j) % type** - - Type of tally filter. - - **integer(4) tallies(i) % filter(j) % n_bins** - - Number of bins for filter. - - **integer(4)/real(8) tallies(i) % filter(j) % bins(:)** - - Value for each filter bin of this type. - - **integer(4) tallies(i) % n_nuclide_bins** - - Number of nuclide bins. If none are specified, this is just one. - - *do j = 1, tallies(i) % n_nuclide_bins* - - **integer(4) tallies(i) % nuclide_bins(j)** - - Values of specified nuclide bins - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins. - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % score_bins(j)** - - Values of specified scoring bins (e.g. SCORE_FLUX). - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % scatt_order(j)** - - Scattering Order specified scoring bins. - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins without accounting for those added by - the scatter-pn command. - -**integer(4) n_realizations** - - Number of realizations for global tallies. - -**integer(4) N_GLOBAL_TALLIES** - - Number of global tally scores - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum** - - Accumulated sum for the i-th global tally - - **real(8) global_tallies(i) % sum_sq** - - Accumulated sum of squares for the i-th global tally - -**integer(4) tallies_on** - - Flag indicated if tallies are present in the file. - -if (tallies_on > 0) - - *do i = 1, n_tallies* - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum** - - Accumulated sum for the j-th score and k-th filter of the - i-th tally - - **real(8) tallies(i) % scores(j,k) % sum_sq** - - Accumulated sum of squares for the j-th score and k-th - filter of the i-th tally - -if (run_mode == MODE_EIGENVALUE) - - *do i = 1, n_particles* - - **real(8) source_bank(i) % wgt** - - Weight of the i-th source particle - - **real(8) source_bank(i) % xyz(1:3)** - - Coordinates of the i-th source particle. - - **real(8) source_bank(i) % uvw(1:3)** - - Direction of the i-th source particle - - **real(8) source_bank(i) % E** - - Energy of the i-th source particle. - ----------- -Revision 6 ----------- - -**integer(4) REVISION_STATEPOINT** - - Revision of the binary state point file. Any time a change is made in the - format of the state-point file, this integer is incremented. - -**integer(4) VERSION_MAJOR** - - Major version number for OpenMC - -**integer(4) VERSION_MINOR** - - Minor version number for OpenMC - -**integer(4) VERSION_RELEASE** - - Release version number for OpenMC - -**character(19) time_stamp** - - Date and time the state point was written. - -**character(255) path** - - Absolute path to directory containing input files. - -**integer(8) seed** - - Pseudo-random number generator seed. - -**integer(4) run_mode** - - run mode used. The modes are described in constants.F90. - -**integer(8) n_particles** - - Number of particles used per generation. - -**integer(4) n_batches** - - Total number of batches (active + inactive). - -**integer(4) current_batch** - - The number of batches already simulated. - -if (run_mode == MODE_EIGENVALUE) - - **integer(4) n_inactive** - - Number of inactive batches - - **integer(4) gen_per_batch** - - Number of generations per batch for criticality calculations - - *do i = 1, current_batch* - - **real(8) k_batch(i)** - - k-effective for the i-th batch - - *do i = 1, current_batch* - - **real(8) entropy(i)** - - Shannon entropy for the i-th batch - -**integer(4) n_meshes** - - Number of meshes in tallies.xml file - -*do i = 1, n_meshes* - - **integer(4) meshes(i) % id** - - Unique ID of mesh. - - **integer(4) meshes(i) % type** - - Type of mesh. - - **integer(4) meshes(i) % n_dimension** - - Number of dimensions for mesh (2 or 3). - - **integer(4) meshes(i) % dimension(:)** - - Number of mesh cells in each dimension. - - **real(8) meshes(i) % lower_left(:)** - - Coordinates of lower-left corner of mesh. - - **real(8) meshes(i) % upper_right(:)** - - Coordinates of upper-right corner of mesh. - - **real(8) meshes(i) % width(:)** - - Width of each mesh cell in each dimension. - -**integer(4) n_tallies** - -*do i = 1, n_tallies* - - **integer(4) tallies(i) % id** - - Unique ID of tally. - - **integer(4) tallies(i) % n_realizations** - - Number of realizations for the i-th tally. - - **integer(4) size(tallies(i) % scores, 1)** - - Total number of score bins for the i-th tally - - **integer(4) size(tallies(i) % scores, 2)** - - Total number of filter bins for the i-th tally - - **integer(4) tallies(i) % n_filters** - - *do j = 1, tallies(i) % n_filters* - - **integer(4) tallies(i) % filter(j) % type** - - Type of tally filter. - - **integer(4) tallies(i) % filter(j) % n_bins** - - Number of bins for filter. - - **integer(4)/real(8) tallies(i) % filter(j) % bins(:)** - - Value for each filter bin of this type. - - **integer(4) tallies(i) % n_nuclide_bins** - - Number of nuclide bins. If none are specified, this is just one. - - *do j = 1, tallies(i) % n_nuclide_bins* - - **integer(4) tallies(i) % nuclide_bins(j)** - - Values of specified nuclide bins - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins. - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % score_bins(j)** - - Values of specified scoring bins (e.g. SCORE_FLUX). - -**integer(4) n_realizations** - - Number of realizations for global tallies. - -**integer(4) N_GLOBAL_TALLIES** - - Number of global tally scores - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum** - - Accumulated sum for the i-th global tally - - **real(8) global_tallies(i) % sum_sq** - - Accumulated sum of squares for the i-th global tally - -**integer(4) tallies_on** - - Flag indicated if tallies are present in the file. - -if (tallies_on > 0) - - *do i = 1, n_tallies* - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum** - - Accumulated sum for the j-th score and k-th filter of the - i-th tally - - **real(8) tallies(i) % scores(j,k) % sum_sq** - - Accumulated sum of squares for the j-th score and k-th - filter of the i-th tally - -if (run_mode == MODE_EIGENVALUE) - - *do i = 1, n_particles* - - **real(8) source_bank(i) % wgt** - - Weight of the i-th source particle - - **real(8) source_bank(i) % xyz(1:3)** - - Coordinates of the i-th source particle. - - **real(8) source_bank(i) % uvw(1:3)** - - Direction of the i-th source particle - - **real(8) source_bank(i) % E** - - Energy of the i-th source particle. - ----------- -Revision 5 ----------- - -**integer(4) REVISION_STATEPOINT** - - Revision of the binary state point file. Any time a change is made in the - format of the state-point file, this integer is incremented. - -**integer(4) VERSION_MAJOR** - - Major version number for OpenMC - -**integer(4) VERSION_MINOR** - - Minor version number for OpenMC - -**integer(4) VERSION_RELEASE** - - Release version number for OpenMC - -**character(19) time_stamp** - - Date and time the state point was written. - -**integer(8) seed** - - Pseudo-random number generator seed. - -**integer(4) run_mode** - - run mode used. The modes are described in constants.F90. - -**integer(8) n_particles** - - Number of particles used per generation. - -**integer(4) n_batches** - - Total number of batches (active + inactive). - -**integer(4) current_batch** - - The number of batches already simulated. - -if (run_mode == MODE_EIGENVALUE) - - **integer(4) n_inactive** - - Number of inactive batches - - **integer(4) gen_per_batch** - - Number of generations per batch for criticality calculations - - *do i = 1, current_batch* - - **real(8) k_batch(i)** - - k-effective for the i-th batch - - *do i = 1, current_batch* - - **real(8) entropy(i)** - - Shannon entropy for the i-th batch - -**integer(4) n_meshes** - - Number of meshes in tallies.xml file - -*do i = 1, n_meshes* - - **integer(4) meshes(i) % type** - - Type of mesh. - - **integer(4) meshes(i) % n_dimension** - - Number of dimensions for mesh (2 or 3). - - **integer(4) meshes(i) % dimension(:)** - - Number of mesh cells in each dimension. - - **real(8) meshes(i) % lower_left(:)** - - Coordinates of lower-left corner of mesh. - - **real(8) meshes(i) % upper_right(:)** - - Coordinates of upper-right corner of mesh. - - **real(8) meshes(i) % width(:)** - - Width of each mesh cell in each dimension. - -**integer(4) n_tallies** - -*do i = 1, n_tallies* - - **integer(4) tallies(i) % n_realizations** - - Number of realizations for the i-th tally. - - **integer(4) size(tallies(i) % scores, 1)** - - Total number of score bins for the i-th tally - - **integer(4) size(tallies(i) % scores, 2)** - - Total number of filter bins for the i-th tally - - **integer(4) tallies(i) % n_filters** - - *do j = 1, tallies(i) % n_filters* - - **integer(4) tallies(i) % filter(j) % type** - - Type of tally filter. - - **integer(4) tallies(i) % filter(j) % n_bins** - - Number of bins for filter. - - **integer(4)/real(8) tallies(i) % filter(j) % bins(:)** - - Value for each filter bin of this type. - - **integer(4) tallies(i) % n_nuclide_bins** - - Number of nuclide bins. If none are specified, this is just one. - - *do j = 1, tallies(i) % n_nuclide_bins* - - **integer(4) tallies(i) % nuclide_bins(j)** - - Values of specified nuclide bins - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins. - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % score_bins(j)** - - Values of specified scoring bins (e.g. SCORE_FLUX). - -**integer(4) n_realizations** - - Number of realizations for global tallies. - -**integer(4) N_GLOBAL_TALLIES** - - Number of global tally scores - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum** - - Accumulated sum for the i-th global tally - - **real(8) global_tallies(i) % sum_sq** - - Accumulated sum of squares for the i-th global tally - -**integer(4) tallies_on** - - Flag indicated if tallies are present in the file. - -if (tallies_on > 0) - - *do i = 1, n_tallies* - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum** - - Accumulated sum for the j-th score and k-th filter of the - i-th tally - - **real(8) tallies(i) % scores(j,k) % sum_sq** - - Accumulated sum of squares for the j-th score and k-th - filter of the i-th tally - -if (run_mode == MODE_EIGENVALUE) - - *do i = 1, n_particles* - - **real(8) source_bank(i) % wgt** - - Weight of the i-th source particle - - **real(8) source_bank(i) % xyz(1:3)** - - Coordinates of the i-th source particle. - - **real(8) source_bank(i) % uvw(1:3)** - - Direction of the i-th source particle - - **real(8) source_bank(i) % E** - - Energy of the i-th source particle. - ----------- -Revision 4 ----------- - -**integer(4) REVISION_STATEPOINT** - - Revision of the binary state point file. Any time a change is made in the - format of the state-point file, this integer is incremented. - -**integer(4) VERSION_MAJOR** - - Major version number for OpenMC - -**integer(4) VERSION_MINOR** - - Minor version number for OpenMC - -**integer(4) VERSION_RELEASE** - - Release version number for OpenMC - -**character(19) time_stamp** - - Date and time the state point was written. - -**integer(8) seed** - - Pseudo-random number generator seed. - -**integer(4) run_mode** - - run mode used. The modes are described in constants.F90. - -**integer(8) n_particles** - - Number of particles used per generation. - -**integer(4) n_batches** - - Total number of batches (active + inactive). - -**integer(4) current_batch** - - The number of batches already simulated. - -if (run_mode == MODE_EIGENVALUE) - - **integer(4) n_inactive** - - Number of inactive batches - - **integer(4) gen_per_batch** - - Number of generations per batch for criticality calculations - - *do i = 1, current_batch* - - **real(8) k_batch(i)** - - k-effective for the i-th batch - - *do i = 1, current_batch* - - **real(8) entropy(i)** - - Shannon entropy for the i-th batch - -**integer(4) n_meshes** - - Number of meshes in tallies.xml file - -*do i = 1, n_meshes* - - **integer(4) meshes(i) % type** - - Type of mesh. - - **integer(4) meshes(i) % n_dimension** - - Number of dimensions for mesh (2 or 3). - - **integer(4) meshes(i) % dimension(:)** - - Number of mesh cells in each dimension. - - **real(8) meshes(i) % lower_left(:)** - - Coordinates of lower-left corner of mesh. - - **real(8) meshes(i) % upper_right(:)** - - Coordinates of upper-right corner of mesh. - - **real(8) meshes(i) % width(:)** - - Width of each mesh cell in each dimension. - -**integer(4) n_tallies** - -*do i = 1, n_tallies* - - **integer(4) size(tallies(i) % scores, 1)** - - Total number of score bins for the i-th tally - - **integer(4) size(tallies(i) % scores, 2)** - - Total number of filter bins for the i-th tally - - **integer(4) tallies(i) % n_filters** - - *do j = 1, tallies(i) % n_filters* - - **integer(4) tallies(i) % filter(j) % type** - - Type of tally filter. - - **integer(4) tallies(i) % filter(j) % n_bins** - - Number of bins for filter. - - **integer(4)/real(8) tallies(i) % filter(j) % bins(:)** - - Value for each filter bin of this type. - - **integer(4) tallies(i) % n_nuclide_bins** - - Number of nuclide bins. If none are specified, this is just one. - - *do j = 1, tallies(i) % n_nuclide_bins* - - **integer(4) tallies(i) % nuclide_bins(j)** - - Values of specified nuclide bins - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins. - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % score_bins(j)** - - Values of specified scoring bins (e.g. SCORE_FLUX). - -**integer(4) N_GLOBAL_TALLIES** - - Number of global tally scores - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum** - - Accumulated sum for the i-th global tally - - **real(8) global_tallies(i) % sum_sq** - - Accumulated sum of squares for the i-th global tally - -**integer(4) tallies_on** - - Flag indicated if tallies are present in the file. - -if (tallies_on > 0) - - **integer(4) n_realizations** - - Number of realizations for tally random variables. - - *do i = 1, n_tallies* - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum** - - Accumulated sum for the j-th score and k-th filter of the - i-th tally - - **real(8) tallies(i) % scores(j,k) % sum_sq** - - Accumulated sum of squares for the j-th score and k-th - filter of the i-th tally - -if (run_mode == MODE_EIGENVALUE) - - *do i = 1, n_particles* - - **real(8) source_bank(i) % wgt** - - Weight of the i-th source particle - - **real(8) source_bank(i) % xyz(1:3)** - - Coordinates of the i-th source particle. - - **real(8) source_bank(i) % uvw(1:3)** - - Direction of the i-th source particle - - **real(8) source_bank(i) % E** - - Energy of the i-th source particle. - ----------- -Revision 3 ----------- - -**integer(4) REVISION_STATEPOINT** - - Revision of the binary state point file. Any time a change is made in the - format of the state-point file, this integer is incremented. - -**integer(4) VERSION_MAJOR** - - Major version number for OpenMC - -**integer(4) VERSION_MINOR** - - Minor version number for OpenMC - -**integer(4) VERSION_RELEASE** - - Release version number for OpenMC - -**character(19) time_stamp** - - Date and time the state point was written. - -**integer(8) seed** - - Pseudo-random number generator seed. - -**integer(4) run_mode** - - run mode used. The modes are described in constants.F90. - -**integer(8) n_particles** - - Number of particles used per generation. - -**integer(4) n_batches** - - Total number of batches (active + inactive). - -**integer(4) current_batch** - - The number of batches already simulated. - -if (run_mode == MODE_EIGENVALUE) - - **integer(4) n_inactive** - - Number of inactive batches - - **integer(4) gen_per_batch** - - Number of generations per batch for criticality calculations - - *do i = 1, current_batch* - - **real(8) k_batch(i)** - - k-effective for the i-th batch - - *do i = 1, current_batch* - - **real(8) entropy(i)** - - Shannon entropy for the i-th batch - -**integer(4) N_GLOBAL_TALLIES** - - Number of global tally scores - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum** - - Accumulated sum for the i-th global tally - - **real(8) global_tallies(i) % sum_sq** - - Accumulated sum of squares for the i-th global tally - -**integer(4) n_meshes** - - Number of meshes in tallies.xml file - -*do i = 1, n_meshes* - - **integer(4) meshes(i) % type** - - Type of mesh. - - **integer(4) meshes(i) % n_dimension** - - Number of dimensions for mesh (2 or 3). - - **integer(4) meshes(i) % dimension(:)** - - Number of mesh cells in each dimension. - - **real(8) meshes(i) % lower_left(:)** - - Coordinates of lower-left corner of mesh. - - **real(8) meshes(i) % upper_right(:)** - - Coordinates of upper-right corner of mesh. - - **real(8) meshes(i) % width(:)** - - Width of each mesh cell in each dimension. - -**integer(4) n_tallies** - -*do i = 1, n_tallies* - - **integer(4) size(tallies(i) % scores, 1)** - - Total number of score bins for the i-th tally - - **integer(4) size(tallies(i) % scores, 2)** - - Total number of filter bins for the i-th tally - - **integer(4) tallies(i) % n_filters** - - *do j = 1, tallies(i) % n_filters* - - **integer(4) tallies(i) % filter(j) % type** - - Type of tally filter. - - **integer(4) tallies(i) % filter(j) % n_bins** - - Number of bins for filter. - - **integer(4)/real(8) tallies(i) % filter(j) % bins(:)** - - Value for each filter bin of this type. - - **integer(4) tallies(i) % n_nuclide_bins** - - Number of nuclide bins. If none are specified, this is just one. - - *do j = 1, tallies(i) % n_nuclide_bins* - - **integer(4) tallies(i) % nuclide_bins(j)** - - Values of specified nuclide bins - - **integer(4) tallies(i) % n_score_bins** - - Number of scoring bins. - - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % score_bins(j)** - - Values of specified scoring bins (e.g. SCORE_FLUX). - -**integer(4) tallies_on** - - Flag indicated if tallies are present in the file. - -if (tallies_on > 0) - - *do i = 1, n_tallies* - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum** - - Accumulated sum for the j-th score and k-th filter of the - i-th tally - - **real(8) tallies(i) % scores(j,k) % sum_sq** - - Accumulated sum of squares for the j-th score and k-th - filter of the i-th tally - -if (run_mode == MODE_EIGENVALUE) - - *do i = 1, n_particles* - - **real(8) source_bank(i) % wgt** - - Weight of the i-th source particle - - **real(8) source_bank(i) % xyz(1:3)** - - Coordinates of the i-th source particle. - - **real(8) source_bank(i) % uvw(1:3)** - - Direction of the i-th source particle - - **real(8) source_bank(i) % E** - - Energy of the i-th source particle. - ----------- -Revision 2 ----------- - -**integer(4) REVISION_STATEPOINT** - - Revision of the binary state point file. Any time a change is made in the - format of the state-point file, this integer is incremented. - -**integer(4) VERSION_MAJOR** - - Major version number for OpenMC - -**integer(4) VERSION_MINOR** - - Minor version number for OpenMC - -**integer(4) VERSION_RELEASE** - - Release version number for OpenMC - -**integer(4) run_mode** - - run mode used. The modes are described in constants.F90. - -**integer(8) n_particles** - - Number of particles used per generation. - -**integer(4) n_batches** - - Total number of batches (active + inactive). - -**integer(4) n_inactive** - - Number of inactive batches - -**integer(4) gen_per_batch** - - Number of generations per batch for criticality calculations - -**integer(4) current_batch** - - The number of batches already simulated. - -*do i = 1, current_batch* - - **real(8) k_batch(i)** - - k-effective for the i-th batch - - if (entropy_on) - - **real(8) entropy(i)** - - Shannon entropy for the i-th batch - -**integer(4) N_GLOBAL_TALLIES** - - Number of global tally scores - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum** - - Accumulated sum for the i-th global tally - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum_sq** - - Accumulated sum of squares for the i-th global tally - -**integer(4) n_tallies** - -*do i = 1, n_tallies* - - **integer(4) size(tallies(i) % scores, 1)** - - Total number of score bins for the i-th tally - - **integer(4) size(tallies(i) % scores, 2)** - - Total number of filter bins for the i-th tally - -*do i = 1, n_tallies* - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum** - - Accumulated sum for the j-th score and k-th filter of the i-th - tally - - **real(8) tallies(i) % scores(j,k) % sum_sq** - - Accumulated sum of squares for the j-th score and k-th filter of - the i-th tally - ----------- -Revision 1 ----------- - -**integer(4) REVISION_STATEPOINT** - - Revision of the binary state point file. Any time a change is made in the - format of the state-point file, this integer is incremented. - -**integer(4) VERSION_MAJOR** - - Major version number for OpenMC - -**integer(4) VERSION_MINOR** - - Minor version number for OpenMC - -**integer(4) VERSION_RELEASE** - - Release version number for OpenMC - -**integer(4) run_mode** - - run mode used. The modes are described in constants.F90. - -**integer(8) n_particles** - - Number of particles used per generation. - -**integer(4) n_batches** - - Total number of batches (active + inactive). - -**integer(4) n_inactive** - - Number of inactive batches - -**integer(4) gen_per_batch** - - Number of generations per batch for criticality calculations - -**integer(4) current_batch** - - The number of batches already simulated. - -*do i = 1, current_batch* - - **real(8) k_batch(i)** - - k-effective for the i-th batch - - if (entropy_on) - - **real(8) entropy(i)** - - Shannon entropy for the i-th batch - -**integer(4) N_GLOBAL_TALLIES** - - Number of global tally scores - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum** - - Accumulated sum for the i-th global tally - -*do i = 1, N_GLOBAL_TALLIES* - - **real(8) global_tallies(i) % sum_sq** - - Accumulated sum of squares for the i-th global tally - -**integer(4) n_tallies** - -*do i = 1, n_tallies* - - **integer(4) size(tallies(i) % scores, 1)** - - Total number of score bins for the i-th tally - - **integer(4) size(tallies(i) % scores, 2)** - - Total number of filter bins for the i-th tally - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum** - - Accumulated sum for the j-th score and k-th filter of the i-th - tally - - *do k = 1, size(tallies(i) % scores, 2)* - - *do j = 1, size(tallies(i) % scores, 1)* - - **real(8) tallies(i) % scores(j,k) % sum_sq** - - Accumulated sum of squares for the j-th score and k-th filter of - the i-th tally diff --git a/docs/source/devguide/styleguide.rst b/docs/source/devguide/styleguide.rst index 5ac2371481..c8644e45cc 100644 --- a/docs/source/devguide/styleguide.rst +++ b/docs/source/devguide/styleguide.rst @@ -8,7 +8,10 @@ In order to keep the OpenMC code base consistent in style, this guide specifies a number of rules which should be adhered to when modified existing code or adding new code in OpenMC. -------------- +------- +Fortran +------- + General Rules ------------- @@ -35,7 +38,6 @@ Don't use ``print *`` or ``write(*,*)``. If writing to a file, use a specific unit. Writing to standard output or standard error should be handled by the ``write_message`` subroutine or functionality in the error module. ----------- Procedures ---------- @@ -47,7 +49,6 @@ intent(in), intent(out), or intent(inout). Include a comment describing what each argument to a procedure is. ---------- Variables --------- @@ -91,7 +92,7 @@ allocation instead. Use allocatable variables instead of pointer variables when possible. Shared/Module Variables ------------------------ ++++++++++++++++++++++++ Always put shared variables in modules. Access module variables through a ``use`` statement. Always use the ``only`` specifier on the ``use`` statement @@ -99,14 +100,12 @@ except for variables from the global, constants, and various header modules. Never use ``equivalence`` statements, ``common`` blocks, or ``data`` statements. -------------------------- Derived Types and Classes ------------------------- Derived types and classes should have CamelCase names with words not separated by underscores or hyphens. ------------ Indentation ----------- @@ -126,14 +125,21 @@ program, subroutine, function, if, associate, etc. Emacs users should set the variables f90-if-indent, f90-do-indent, f90-continuation-indent, f90-type-indent, f90-associate-indent, and f90-program indent to 2. -Continuation lines should be indented by an extra 5 spaces. This is the default -value of f90-continuation-indent in Emacs. +Continuation lines should be indented by at least 5 spaces. They may be indented +more in order to make the content match the context. For example, either of +these are valid continuation indentations: + +.. code-block:: fortran + + local_xyz(1) = xyz(1) - (this % lower_left(1) + & + (i_xyz(1) - HALF)*this % pitch(1)) + call which_data(scatt_type, get_scatt, get_nuscatt, get_chi_t, get_chi_p, & + get_chi_d, scatt_order) -------------------------- Whitespace in Expressions ------------------------- -Use a single space between arguments to procedures. +Use a single space between arguments to procedures. Avoid extraneous whitespace in the following situations: @@ -146,3 +152,25 @@ Avoid extraneous whitespace in the following situations: Yes: if (variable == 2) then No: if ( variable==2 ) then + +Do not leave trailing whitespace at the end of a line. + +------ +Python +------ + +Style for Python code should follow PEP8_. + +Docstrings for functions and methods should follow numpydoc_ style. + +Python code should work with both Python 2.7+ and Python 3.0+. + +Use of third-party Python packages should be limited to numpy_, scipy_, and +h5py_. Use of other third-party packages must be implemented as optional +dependencies rather than required dependencies. + +.. _PEP8: https://www.python.org/dev/peps/pep-0008/ +.. _numpydoc: https://github.com/numpy/numpy/blob/master/doc/HOWTO_DOCUMENT.rst.txt +.. _numpy: http://www.numpy.org/ +.. _scipy: http://www.scipy.org/ +.. _h5py: http://www.h5py.org/ diff --git a/docs/source/devguide/voxel.rst b/docs/source/devguide/voxel.rst index 8ce0c6ee87..98f5cb73b2 100644 --- a/docs/source/devguide/voxel.rst +++ b/docs/source/devguide/voxel.rst @@ -4,9 +4,7 @@ Voxel Plot Binary File Specifications ===================================== ----------- -Revision 1 ----------- +The current revision of the voxel plot binary file is 1. **integer(4) n_voxels_x** diff --git a/docs/source/devguide/workflow.rst b/docs/source/devguide/workflow.rst index e83a12979a..2f36436ca1 100644 --- a/docs/source/devguide/workflow.rst +++ b/docs/source/devguide/workflow.rst @@ -7,7 +7,7 @@ Development Workflow Anyone wishing to make contributions to OpenMC should be fully acquianted and comfortable working with git_ and GitHub_. We assume here that you have git installed on your system, have a GitHub account, and have setup SSH keys to be -able to create/push to repositories on GitHub. +able to create/push to repositories on GitHub. Overview -------- @@ -71,7 +71,7 @@ features and bug fixes. The general steps for contributing are as follows: git checkout -b newbranch develop 3. Make your changes on the new branch that you intend to have included in - *develop*. If you have made other changes that should not be merged back, + *develop*. If you have made other changes that should not be merged back, ensure that those changes are made on a different branch. 4. Issue a pull request from GitHub and select the *develop* branch of @@ -98,7 +98,7 @@ OpenMC Test Suite The purpose of this test suite is to ensure that OpenMC compiles using various combinations of compiler flags and options, and that all user input options can -be used successfully without breaking the code. The test suite is comprised of +be used successfully without breaking the code. The test suite is comprised of regression tests where different types of input files are configured and the full OpenMC code is executed. Results from simulations are compared with expected results. The test suite is comprised of many build configurations @@ -114,7 +114,7 @@ download these cross sections please do the following: .. code-block:: sh cd ../data - python get_nndc.py + python get_nndc_data.py export CROSS_SECTIONS=/nndc/cross_sections.xml The test suite can be run on an already existing build using: @@ -143,19 +143,15 @@ variables should be set if the default paths are incorrect: * **MPI_DIR** - The path to the MPI directory. - * Default - */opt/mpich/3.1-gnu* + * Default - */opt/mpich/3.1.3-gnu* * **HDF5_DIR** - The path to the HDF5 directory. - * Default - */opt/hdf5/1.8.12-gnu* + * Default - */opt/hdf5/1.8.14-gnu* * **PHDF5_DIR** - The path to the parallel HDF5 directory. - * Default - */opt/phdf5/1.8.12-gnu* - - * **PETSC_DIR** - The path to the PETSc directory. - - * Default - */opt/petsc/3.4.4-gnu* + * Default - */opt/phdf5/1.8.14-gnu* To run the full test suite, the following command can be executed in the tests directory: @@ -192,7 +188,7 @@ Adding tests to test suite To add a new test to the test suite, create a sub-directory in the tests directory that conforms to the regular expression *test_*. To configure -a test you need to add the following files to your new test directory, +a test you need to add the following files to your new test directory, *test_name* for example: * OpenMC input XML files diff --git a/docs/source/index.rst b/docs/source/index.rst index 83eac22e0a..8dba920161 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -18,18 +18,21 @@ free to send a message to the User's Group `mailing list`_. .. _Massachusetts Institute of Technology: http://web.mit.edu .. _mailing list: https://groups.google.com/forum/?fromgroups=#!forum/openmc-users --------- -Contents --------- +.. only:: html + + -------- + Contents + -------- .. toctree:: :maxdepth: 1 quickinstall - releasenotes/index + releasenotes methods/index usersguide/index devguide/index + pythonapi/index publications license developers diff --git a/docs/source/methods/cmfd.rst b/docs/source/methods/cmfd.rst index 3681df3b75..49cb86c674 100644 --- a/docs/source/methods/cmfd.rst +++ b/docs/source/methods/cmfd.rst @@ -28,7 +28,7 @@ directions. An example of this is shown in the following expression: :label: not1 \sum\limits_{u\in(x,y,z)}\left\langle\overline{J}^{u,g}_{l+1/2,m,n} - \Delta_m^v\Delta_n^w\right\rangle + \Delta_m^v\Delta_n^w\right\rangle Here, :math:`u` takes on each direction one at a time. The parameter :math:`J` is surface area-averaged over the transverse indices :math:`m` and :math:`n` @@ -142,7 +142,7 @@ defined from MC tallies as follows: {\left\langle\overline{\overline\phi}_{l,m,n}^h \Delta_l^u\Delta_m^v\Delta_n^w\right\rangle} -and +and .. math:: :label: xs3 @@ -303,13 +303,13 @@ interior cell, \sum_{u\in x,y,x}\frac{1}{\Delta_l^u}\left[\left(-\tilde{D}_{l-1/2,m,n}^{u,g} - \hat{D}_{l-1/2,m,n}^{u,g}\right)\overline{\overline{\phi}}_{l-1,m,n}^g\right. - + \left(\tilde{D}_{l-1/2,m,n}^{u,g} + + \\ + \left(\tilde{D}_{l-1/2,m,n}^{u,g} + \tilde{D}_{l+1/2,m,n}^{u,g} - \hat{D}_{l-1/2,m,n}^{u,g} + \hat{D}_{l+1/2,m,n}^{u,g}\right)\overline{\overline{\phi}}_{l,m,n}^g - \\ + + \\ + \left. \left(-\tilde{D}_{l+1/2,m,n}^{u,g} + \hat{D}_{l+1/2,m,n}^{u,g}\right)\overline{\overline{\phi}}_{l+1,m,n}^g - \right] + + \right] \\ + \overline{\overline\Sigma}_{t_{l,m,n}}^g\overline{\overline{\phi}}_{l,m,n}^g - \sum\limits_{h=1}^G\overline{\overline{\nu_s\Sigma}}^{h\rightarrow g}_{s_{l,m,n}}\overline{\overline{\phi}}_{l,m,n}^h = @@ -318,7 +318,7 @@ interior cell, It should be noted that before substitution, eq. :eq:`eq_neut_bal` was divided by the volume of the cell, :math:`\Delta_l^u\Delta_m^v\Delta_n^w`. Equation -:eq:`eq_cmfd_sys` can be represented in operator form as +:eq:`eq_cmfd_sys` can be represented in operator form as .. math:: :label: eq_CMFDopers @@ -349,7 +349,7 @@ and energy group. This is represented as p_{l,m,n}^g = \frac{\sum_{h=1}^{G}\overline{\overline{\nu_f\Sigma}}^{h\rightarrow g}_{f_{l,m,n}}\overline{\overline{\phi}}_{l,m,n}^h\Delta_l^u\Delta_m^v - \Delta_n^w}{\sum_n\sum_m\sum_l\sum_{h=1}^{G}\overline{ + \Delta_n^w}{\sum_n\sum_m\sum_l\sum_{h=1}^{G}\overline{ \overline{\nu_f\Sigma}}^{h\rightarrow g}_{f_{l,m,n}}\overline{\overline{\phi}}_{l,m,n}^h\Delta_l^u\Delta_m^v \Delta_n^w}. @@ -439,7 +439,7 @@ by the user. Once all diffusion parameters are calculated, CMFD matrices are formed where energy groups are the inner most iteration index. In OpenMC, compressed row storage sparse matrices are used due to the sparsity of CMFD operators. An example of this sparsity is shown for the 3-D BEAVRS model in -figures :ref:`fig_loss` and :ref:`fig_prod` [BEAVRS]_. These matrices represent +figures :num:`fig-loss` and :num:`fig-prod` [BEAVRS]_. These matrices represent an assembly radial mesh, 24 cell mesh in the axial direction and two energy groups. The loss matrix is 99.92% sparse and the production matrix is 99.99% sparse. Although the loss matrix looks like it is tridiagonal, it is really a @@ -473,19 +473,19 @@ no fission neutrons appear with energies in the thermal group. | \ :math:`\left\langle\overline{J}^{u,g}_{l\pm 1/2,m,n}\Delta_m^v\Delta_n^w\right\rangle` | current | mesh, energy | +--------------------------------------------------------------------------------------------+----------------+---------------------------+ -.. _fig_loss: +.. _fig-loss: .. figure:: ../_images/loss.png :scale: 50 - Sparsity of Neutron Loss Operator + Sparsity of Neutron Loss Operator -.. _fig_prod: +.. _fig-prod: .. figure:: ../_images/prod.png :scale: 50 - Sparsity of Neutron Production Operator + Sparsity of Neutron Production Operator To solve the eigenvalue problem with these matrices, different source iteration and linear solvers can be used. The most common source iteration solver used is @@ -511,7 +511,7 @@ implemented to obtain eigenvalue and multigroup fluxes as described in [Gill]_ and [Knoll]_. This method is not the primary one used, but has gotten recent attention due to its coupling advantages to other physics such as thermal hydraulics. Once multigroup fluxes are obtained, a normalized fission source is -calculated in the code using eq. :eq:`eq_cmfd_psrc` directly. +calculated in the code using eq. :eq:`eq_cmfd_psrc` directly. The next step in the process is to compute weight adjustment factors. These are calculated by taking the ratio of the expected number of neutrons from the CMFD @@ -523,11 +523,11 @@ the current MC source, OpenMC sums the statistical weights of neutrons from the source bank on a given spatial and energy mesh. Once weight adjustment factors were calculated, each neutron's statistical weight in the source bank was modified according to its location and energy. -Examples of CMFD simulations using OpenMC can be found in [Herman_Thesis]_. +Examples of CMFD simulations using OpenMC can be found in [HermanThesis]_. ----------- -References ----------- +.. only:: html + + .. rubric:: References .. [BEAVRS] Nick Horelik, Bryan Herman. *Benchmark for Evaluation And Verification of Reactor Simulations*. Massachusetts Institute of Technology, http://crpg.mit.edu/pub/beavrs @@ -536,23 +536,23 @@ References .. [Gill] Daniel F. Gill. *Newton-Krylov methods for the solution of the k-eigenvalue problem in multigroup neutronics calculations*. Ph.D. thesis, Pennsylvania State University, 2010. -.. [Hebert] Alain Hebert. *Applied reactor physics*. Presses Internationales Polytechnique, +.. [Hebert] Alain Hebert. *Applied reactor physics*. Presses Internationales Polytechnique, Montreal, 2009. .. [Herman] Bryan R. Herman, Benoit Forget, Kord Smith, and Brian N. Aviles. Improved diffusion coefficients generated from Monte Carlo codes. In *Proceedings of M&C 2013*, Sun Valley, ID, USA, May 5 - 9, 2013. -.. [Herman_Thesis] Bryan R. Herman. *Monte Carlo and Thermal Hydraulic Coupling using - Low-Order Nonlinear Diffusion Acceleration*. Sc.D. thesis, - Massachusetts Institute of Technology, 2014. +.. [HermanThesis] Bryan R. Herman. *Monte Carlo and Thermal Hydraulic Coupling using + Low-Order Nonlinear Diffusion Acceleration*. Sc.D. thesis, + Massachusetts Institute of Technology, 2014. .. [Knoll] D.A. Knoll, H. Park, and C. Newman. *Acceleration of k-eigenvalue/criticality calculations using the Jacobian-free Newton-Krylov method*. Nuclear Science and Engineering, 167:133–140, 2011. .. [Park] H. Park, D.A. Knoll, and C.K. Newman. *Nonlinear acceleration of transport - criticality problems*. Nuclear Science and Engineering, 172:52–65, 2012. + criticality problems*. Nuclear Science and Engineering, 172:52–65, 2012. .. [Rhodes] Joel Rhodes and Malte Edenius. *CASMO-4 --- A Fuel Assembly Burnup Program. User’s Manual*. Studsvik of America, ssp-09/443-u rev 0, proprietary edition, 2001. diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst index db2e5156ee..5126252cd7 100644 --- a/docs/source/methods/cross_sections.rst +++ b/docs/source/methods/cross_sections.rst @@ -63,9 +63,9 @@ Other Methods A good survey of other energy grid techniques, including unionized energy grids, can be found in a paper by Leppanen_. ----------- -References ----------- +.. only:: html + + .. rubric:: References .. [Brown] Forrest B. Brown, "New Hash-based Energy Lookup Algorithm for Monte Carlo codes," LA-UR-14-24530, Los Alamos National Laboratory (2014). diff --git a/docs/source/methods/geometry.rst b/docs/source/methods/geometry.rst index 1ba29b79ef..9eece1e919 100644 --- a/docs/source/methods/geometry.rst +++ b/docs/source/methods/geometry.rst @@ -42,9 +42,11 @@ One can confirm that any point inside this sphere will correspond to In OpenMC, every surface defined by the user is assigned an integer to uniquely identify it. We can then refer to either of the two half-spaces created by a surface by a combination of the unique ID of the surface and a positive/negative -sign. The following illustration shows an example of an ellipse with unique ID 1 +sign. Figure :num:`fig-halfspace` shows an example of an ellipse with unique ID 1 dividing space into two half-spaces. +.. _fig-halfspace: + .. figure:: ../_images/halfspace.* :align: center :figclass: align-center @@ -57,9 +59,11 @@ to be defined by intersections, unions, and differences or half-spaces, OpenMC is currently limited to cells defined only as intersections of half-spaces. Thus, the specification of the cell must include a list of half-space references whose intersection defines the region. The region is then -assigned a material defined elsewhere. The following illustration shows an +assigned a material defined elsewhere. Figure :num:`fig-union` shows an example of a cell defined as the intersection of an ellipse and two planes. - + +.. _fig-union: + .. figure:: ../_images/union.* :align: center :figclass: align-center @@ -385,6 +389,106 @@ is found that contains the specified point. .. _cell-contains: +---------------------- +Finding a Lattice Tile +---------------------- + +If a particle is inside a lattice, its position inside the lattice must be +determined before assigning it to a cell. Throughout this section, the +volumetric units of the lattice will be referred to as "tiles". Tiles are +identified by thier indices, and the process of discovering which tile contains +the particle is referred to as "indexing". + +Rectilinear Lattice Indexing +---------------------------- + +Indices are assigned to tiles in a rectilinear lattice based on the tile's +position along the :math:`x`, :math:`y`, and :math:`z` axes. Figure +:num:`fig-rect-lat` maps the indices for a 2D lattice. The indices, (1, 1), +map to the lower-left tile. (5, 1) and (5, 5) map to the lower-right and +upper-right tiles, respectively. + +.. _fig-rect-lat: + +.. figure:: ../_images/rect_lat.* + :align: center + :figclass: align-center + :width: 400px + + Rectilinear lattice tile indices. + +In general, a lattice tile is specified by the three indices, +:math:`(i_x, i_y, i_z)`. If a particle's current coordinates are +:math:`(x, y, z)` then the indices can be determined from these formulas: + +.. math:: + :label: rect_indexing + + i_x = \left \lceil \frac{x - x_0}{p_0} \right \rceil + + i_y = \left \lceil \frac{y - y_0}{p_1} \right \rceil + + i_z = \left \lceil \frac{z - z_0}{p_2} \right \rceil + +where :math:`(x_0, y_0, z_0)` are the coordinates to the lower-left-bottom +corner of the lattice, and :math:`p_0, p_1, p_2` are the pitches along the +:math:`x`, :math:`y`, and :math:`z` axes, respectively. + +Hexagonal Lattice Indexing +-------------------------- + +A skewed coordinate system is used for indexing hexagonal lattice tiles. +Rather than a :math:`y`-axis, another axis is used that is rotated 30 degrees +counter-clockwise from the :math:`y`-axis. This axis is referred to as the +:math:`\alpha`-axis. Figure :num:`fig-hex-lat` shows how 2D hexagonal tiles +are mapped with the :math:`(x, \alpha)` basis. In this system, (0, 0) maps to +the center tile, (0, 2) to the top tile, and (2, -1) to the middle tile on the +right side. + +.. _fig-hex-lat: + +.. figure:: ../_images/hex_lat.* + :align: center + :figclass: align-center + :width: 400px + + Hexagonal lattice tile indices. + +Unfortunately, the indices cannot be determined with one simple formula as +before. Indexing requires a two-step process, a coarse step which determines a +set of four tiles that contains the particle and a fine step that determines +which of those four tiles actually contains the particle. + +In the first step, indices are found using these formulas: + +.. math:: + :label: hex_indexing + + \alpha = -\frac{x}{\sqrt{3}} + y + + i_x^* = \left \lfloor \frac{x}{p_0 \sqrt{3} / 2} \right \rfloor + + i_\alpha^* = \left \lfloor \frac{\alpha}{p_0} \right \rfloor + +where :math:`p_0` is the lattice pitch (in the :math:`x`-:math:`y` plane). The +true index of the particle could be :math:`(i_x^*, i_\alpha^*)`, +:math:`(i_x^* + 1, i_\alpha^*)`, :math:`(i_x^*, i_\alpha^* + 1)`, or +:math:`(i_x^* + 1, i_\alpha^* + 1)`. + +The second step selects the correct tile from that neighborhood of 4. OpenMC +does this by calculating the distance between the particle and the centers of +each of the 4 tiles, and then picking the closest tile. This works because +regular hexagonal tiles form a Voronoi tessellation which means that all of the +points within a tile are closest to the center of that same tile. + +Indexing along the :math:`z`-axis uses the same method from rectilinear +lattices, i.e. + +.. math:: + :label: hex_indexing_z + + i_z = \left \lceil \frac{z - z_0}{p_2} \right \rceil + ---------------------------------------- Determining if a Coordinate is in a Cell ---------------------------------------- diff --git a/docs/source/methods/parallelization.rst b/docs/source/methods/parallelization.rst index 66ead52a2a..63c4a9d212 100644 --- a/docs/source/methods/parallelization.rst +++ b/docs/source/methods/parallelization.rst @@ -61,7 +61,7 @@ one master process that controls the scheduling of work and the remaining processes wait to receive work from the master, process the work, and then send their results to the master at the end of the simulation (or a source iteration in the case of an eigenvalue calculation). This idea is illustrated in -:ref:`Figure 1 `. +:ref:`figure-master-slave`. .. _figure-master-slave: @@ -69,7 +69,7 @@ in the case of an eigenvalue calculation). This idea is illustrated in :align: center :figclass: align-center - **Figure 1**: Communication pattern in master-slave algorithm. + Communication pattern in master-slave algorithm. Eigenvalue calculations are slightly more difficult to parallelize than fixed source calculations since it is necessary to converge on the fission source @@ -117,8 +117,7 @@ Nearest Neighbors Algorithm To reduce the amount of communication required in a fission bank synchronization algorithm, it is desirable to move away from the typical master-slave algorithm to an algorithm whereby the compute nodes communicate with one another only as -needed. This concept is illustrated in :ref:`Figure 2 -`. +needed. This concept is illustrated in :ref:`figure-nearest-neighbor`. .. _figure-nearest-neighbor: @@ -126,7 +125,7 @@ needed. This concept is illustrated in :ref:`Figure 2 :align: center :figclass: align-center - **Figure 2**: Communication pattern in nearest neighbor algorithm. + Communication pattern in nearest neighbor algorithm. Since the source sites for each cycle are sampled from the fission sites banked from the previous cycle, it is a common occurrence for a fission site to be @@ -196,8 +195,8 @@ and :math:`p_3` has 245. Note that the total number of sampled sites is 1000 as needed. For each node to have the same number of source sites, :math:`p_0` needs to send its right-most 10 sites to :math:`p_1`, and :math:`p_2` needs to send its left-most 25 sites to :math:`p_1` and its right-most 5 sites to -:math:`p_3`. A schematic of this example is shown in :ref:`Figure 3 -`. The data local to each node is given a different +:math:`p_3`. A schematic of this example is shown in +:ref:`figure-neighbor-example`. The data local to each node is given a different hatching, and the cross-hatched regions represent source sites that are communicated between adjacent nodes. @@ -207,7 +206,7 @@ communicated between adjacent nodes. :align: center :figclass: align-center - **Figure 3**: Example of nearest neighbor algorithm. + Example of nearest neighbor algorithm. .. _master-slave-cost: @@ -600,9 +599,9 @@ is actually independent of the number of nodes: E \left [ \Lambda_{j_{\text{max}}} \right ] = \sqrt{ \frac{N\sigma^2}{2\pi k^2}}. ----------- -References ----------- +.. only:: html + + .. rubric:: References .. [Troubetzkoy] E. Troubetzkoy, H. Steinberg, and M. Kalos, "Monte Carlo Radiation Penetration Calculations on a Parallel Computer," diff --git a/docs/source/methods/physics.rst b/docs/source/methods/physics.rst index db6cfd89e9..ed10b32343 100644 --- a/docs/source/methods/physics.rst +++ b/docs/source/methods/physics.rst @@ -1552,9 +1552,9 @@ default, the cutoff weight in OpenMC is :math:`w_c = 0.25` and the survival weight is :math:`w_s = 1.0`. These parameters vary from one Monte Carlo code to another. ----------- -References ----------- +.. only:: html + + .. rubric:: References .. [Doyas] Richard J. Doyas and Sterrett T. Perkins, "Interpolation of Tabular Secondary Neutron and Photon Energy Distributions," *Nucl. Sci. Eng.*, diff --git a/docs/source/methods/random_numbers.rst b/docs/source/methods/random_numbers.rst index 88c4d65d52..3ea61719c5 100644 --- a/docs/source/methods/random_numbers.rst +++ b/docs/source/methods/random_numbers.rst @@ -62,9 +62,9 @@ Note that :eq:`lcg-skipahead` has the same general form as \eqref{eq:lcg}, so the idea is to determine the new multiplicative and additive constants in :math:`O(\log_2 N)` operations. ----------- -References ----------- +.. only:: html + + .. rubric:: References .. [LEcuyer] P. L’Ecuyer, "Tables of Linear Congruential Generators of Different Sizes and Good Lattice Structures," *Math. Comput.*, **68**, 249 diff --git a/docs/source/methods/tallies.rst b/docs/source/methods/tallies.rst index 6c16f08136..fd0812245a 100644 --- a/docs/source/methods/tallies.rst +++ b/docs/source/methods/tallies.rst @@ -475,9 +475,9 @@ normal distribution, we use an `unpublished rational approximation`_. After using the rational approximation, one iteration of Newton's method is applied to improve the estimate of the percentile. ----------- -References ----------- +.. only:: html + + .. rubric:: References .. [George] E. E. Olusegun George and Meenakshi Sivaram, "A modification of the Fisher-Cornish approximation for the student t percentiles," Communication diff --git a/docs/source/publications.rst b/docs/source/publications.rst index 99a00d13f2..79d089605c 100644 --- a/docs/source/publications.rst +++ b/docs/source/publications.rst @@ -4,6 +4,104 @@ Publications ============ +--------- +Overviews +--------- + +- Paul K. Romano, Nicholas E. Horelik, Bryan R. Herman, Adam G. Nelson, Benoit + Forget, and Kord Smith, "OpenMC: A State-of-the-Art Monte Carlo Code for + Research and Development," *Ann. Nucl. Energy*, **82**, 90--97 + (2015). ``_ + +- Paul K. Romano, Bryan R. Herman, Nicholas E. Horelik, Benoit Forget, Kord + Smith, and Andrew R. Siegel, "Progress and Status of the OpenMC Monte Carlo + Code," *Proc. Int. Conf. Mathematics and Computational Methods Applied to + Nuclear Science and Engineering*, Sun Valley, Idaho, May 5--9 (2013). + +- Paul K. Romano and Benoit Forget, "The OpenMC Monte Carlo Particle Transport + Code," *Ann. Nucl. Energy*, **51**, 274--281 + (2013). ``_ + +------------ +Benchmarking +------------ + +- Daniel J. Kelly, Brian N. Aviles, Paul K. Romano, Bryan R. Herman, + Nicholas E. Horelik, and Benoit Forget, "Analysis of select BEAVRS PWR + benchmark cycle 1 results using MC21 and OpenMC," *Proc. PHYSOR*, Kyoto, + Japan, Sep. 28--Oct. 3 (2014). + +- Bryan R. Herman, Benoit Forget, Kord Smith, Paul K. Romano, Thomas M. Sutton, + Daniel J. Kelly, III, and Brian N. Aviles, "Analysis of tally correlations in + large light water reactors," *Proc. PHYSOR*, Kyoto, Japan, Sep. 28--Oct. 3 + (2014). + +- Nicholas Horelik, Bryan Herman, Benoit Forget, and Kord Smith, "Benchmark for + Evaluation and Validation of Reactor Simulations," + *Proc. Int. Conf. Mathematics and Computational Methods Applied to Nuclear + Science and Engineering*, Sun Valley, Idaho, May 5--9 (2013). + +- Jonathan A. Walsh, Benoit Forget, and Kord S. Smith, "Validation of OpenMC + Reactor Physics Simulations with the B&W 1810 Series Benchmarks," + *Trans. Am. Nucl. Soc.*, **109**, 1301--1304 (2013). + +-------------------------- +Coupling and Multi-physics +-------------------------- + +- Matt Ellis, Benoit Forget, Kord Smith, and Derek Gaston, "Preliminary coupling + of the Monte Carlo code OpenMC and the Multiphysics Object-Oriented Simulation + Environment (MOOSE) for analyzing Doppler feedback in Monte Carlo + simulations," *Proc. Joint Int. Conf. M&C+SNA+MC*, Nashville, Tennessee, + Apr. 19--23 (2015). + +- Bryan R. Herman, Benoit Forget, and Kord Smith, "Progress toward Monte + Carlo-thermal hydraulic coupling using low-order nonlinear diffusion + acceleration methods." In press, *Ann. Nucl. Energy*, + (2014). ``_ + +- Adam G. Nelson and William R. Martin, "Improved Convergence of Monte Carlo + Generated Multi-Group Scattering Moments," *Proc. Int. Conf. Mathematics and + Computational Methods Applied to Nuclear Science and Engineering*, Sun Valley, + Idaho, May 5--9 (2013). + +- Bryan R. Herman, Benoit Forget, and Kord Smith, "Utilizing CMFD in OpenMC to + Estimate Dominance Ratio and Adjoint," *Trans. Am. Nucl. Soc.*, **109**, + 1389-1392 (2013). + +-------- +Geometry +-------- + +- Derek Lax, William Boyd, Nicholas Horelik, Benoit Forget, and Kord Smith, "A + memory efficient algorithm for classifying unique regions in constructive + solid geometries," *Proc. PHYSOR*, Kyoto, Japan, Sep. 28--Oct. 3 (2014). + +------------- +Miscellaneous +------------- + +- Timothy P. Burke, Brian C. Kiedrowski, and William R. Martin, "Flux and + Reaction Rate Kernel Density Estimators in OpenMC," *Trans. Am. Nucl. Soc.*, + **109**, 683-686 (2013). + +------------ +Nuclear Data +------------ + +- Jonathan A. Walsh, Benoit Forget, Kord S. Smith, Brian C. Kiedrowski, and + Forrest B. Brown, "Direct, on-the-fly calculation of unresolved resonance + region cross sections in Monte Carlo simulations," *Proc. Joint + Int. Conf. M&C+SNA+MC*, Nashville, Tennessee, Apr. 19--23 (2015). + +- Paul K. Romano and Timothy H. Trumbull, "Comparison of algorithms for Doppler + broadening pointwise tabulated cross sections," *Ann. Nucl. Energy*, **75**, + 358--364 (2015). ``_ + +- Tuomas Viitanen, Jaakko Leppanen, and Benoit Forget, "Target motion sampling + temperature treatment technique with track-length esimators in OpenMC -- + Preliminary results," *Proc. PHYSOR*, Kyoto, Japan, Sep. 28--Oct. 3 (2014). + - Jonathan A. Walsh, Benoit Forget, and Kord S. Smith, "Accelerated sampling of the free gas resonance elastic scattering kernel," *Ann. Nucl. Energy*, **69**, 116--124 (2014). ``_ @@ -12,35 +110,42 @@ Publications Carlo simulations using the multipole representation," *Ann. Nucl. Energy*, **64**, 78--85 (2014). ``_ +----------- +Parallelism +----------- + +- David Ozog, Allen D. Malony, and Andrew R. Siegel, "A performance analysis of + SIMD algorithms for Monte Carlo simulations of nuclear reactor cores," + *Proc. IEEE Int. Parallel and Distributed Processing Symposium*, Hyderabad, + India, May 25--29 (2015). + +- David Ozog, Allen D. Malony, and Andrew Siegel, "Full-core PWR transport + simulations on Xeon Phi clusters," *Proc. Joint Int. Conf. M&C+SNA+MC*, + Nashville, Tennessee, Apr. 19--23 (2015). + +- Paul K. Romano, Andrew R. Siegel, and Ronald O. Rahaman, "Influence of the + memory subsystem on Monte Carlo code performance," *Proc. Joint + Int. Conf. M&C+SNA+MC*, Nashville, Tennessee, Apr. 19--23 (2015). + +- Nicholas Horelik, Benoit Forget, Kord Smith, and Andrew Siegel, "Domain + decomposition and terabyte tallies with the OpenMC Monte Carlo neutron + transport code," *Proc. PHYSOR*, Kyoto Japan, Sep. 28--Oct. 3 (2014). + +- Nicholas Horelik, Andrew Siegel, Benoit Forget, and Kord Smith, "Monte Carlo + domain decomposition for robust nuclear reactor analysis," *Parallel Comput.*, + **40**, 646--660 (2014). ``_ + - Andrew Siegel, Kord Smith, Kyle Felker, Paul Romano, Benoit Forget, and Peter Beckman, "Improved cache performance in Monte Carlo transport calculations using energy banding," *Comput. Phys. Commun.*, **185** (4), 1195--1199 (2014). ``_ -- Jonathan A. Walsh, Benoit Forget, and Kord S. Smith, "Validation of OpenMC - Reactor Physics Simulations with the B&W 1810 Series Benchmarks," - *Trans. Am. Nucl. Soc.*, **109**, 1301--1304 (2013). - -- Bryan R. Herman, Benoit Forget, and Kord Smith, "Utilizing CMFD in OpenMC to - Estimate Dominance Ratio and Adjoint," *Trans. Am. Nucl. Soc.*, **109**, - 1389-1392 (2013). - -- Timothy P. Burke, Brian C. Kiedrowski, and William R. Martin, "Flux and - Reaction Rate Kernel Density Estimators in OpenMC," *Trans. Am. Nucl. Soc.*, - **109**, 683-686 (2013). - - Paul K. Romano, Benoit Forget, Kord Smith, and Andrew Siegel, "On the use of tally servers in Monte Carlo simulations of light-water reactors," *Proc. Joint International Conference on Supercomputing in Nuclear Applications and Monte Carlo*, Paris, France, Oct. 27--31 (2013). ``_ -- Paul K. Romano, Nicholas E. Horelik, Bryan R. Herman, Adam G. Nelson, Benoit - Forget, and Kord Smith, "OpenMC: A State-of-the-Art Monte Carlo Code for - Research and Development," *Proc. Joint International Conference on - Supercomputing in Nuclear Applications and Monte Carlo*, Paris, France, - Oct. 27--31 (2013). ``_ - - Kyle G. Felker, Andrew R. Siegel, Kord S. Smith, Paul K. Romano, and Benoit Forget, "The energy band memory server algorithm for parallel Monte Carlo calculations," *Proc. Joint International Conference on Supercomputing in @@ -62,25 +167,6 @@ Publications servers," *J. Comput. Phys.*, **252**, 20--36 (2013). ``_ -- Paul K. Romano, Bryan R. Herman, Nicholas E. Horelik, Benoit Forget, Kord - Smith, and Andrew R. Siegel, "Progress and Status of the OpenMC Monte Carlo - Code," *Proc. Int. Conf. Mathematics and Computational Methods Applied to - Nuclear Science and Engineering*, Sun Valley, Idaho, May 5--9 (2013). - -- Nicholas Horelik, Bryan Herman, Benoit Forget, and Kord Smith, "Benchmark for - Evaluation and Validation of Reactor Simulations," - *Proc. Int. Conf. Mathematics and Computational Methods Applied to Nuclear - Science and Engineering*, Sun Valley, Idaho, May 5--9 (2013). - -- Adam G. Nelson and William R. Martin, "Improved Convergence of Monte Carlo - Generated Multi-Group Scattering Moments," *Proc. Int. Conf. Mathematics and - Computational Methods Applied to Nuclear Science and Engineering*, Sun Valley, - Idaho, May 5--9 (2013). - -- Paul K. Romano and Benoit Forget, "The OpenMC Monte Carlo Particle Transport - Code," *Ann. Nucl. Energy*, **51**, 274--281 - (2013). ``_ - - Andrew R. Siegel, Kord Smith, Paul K. Romano, Benoit Forget, and Kyle Felker, "The effect of load imbalances on the performance of Monte Carlo codes in LWR analysis", *J. Comput. Phys.*, **235**, 901--911 (2013). diff --git a/docs/source/pythonapi/ace.rst b/docs/source/pythonapi/ace.rst new file mode 100644 index 0000000000..4810ec4bbc --- /dev/null +++ b/docs/source/pythonapi/ace.rst @@ -0,0 +1,8 @@ +.. _pythonapi_ace: + +========== +ACE Format +========== + +.. automodule:: openmc.ace + :members: diff --git a/docs/source/pythonapi/cmfd.rst b/docs/source/pythonapi/cmfd.rst new file mode 100644 index 0000000000..51470069fe --- /dev/null +++ b/docs/source/pythonapi/cmfd.rst @@ -0,0 +1,8 @@ +.. _pythonapi_cmfd: + +==== +CMFD +==== + +.. automodule:: openmc.cmfd + :members: diff --git a/docs/source/pythonapi/element.rst b/docs/source/pythonapi/element.rst new file mode 100644 index 0000000000..473cbba45d --- /dev/null +++ b/docs/source/pythonapi/element.rst @@ -0,0 +1,8 @@ +.. _pythonapi_element: + +======= +Element +======= + +.. automodule:: openmc.element + :members: diff --git a/docs/source/pythonapi/examples/pandas-dataframes.ipynb b/docs/source/pythonapi/examples/pandas-dataframes.ipynb new file mode 100644 index 0000000000..24c5c00a02 --- /dev/null +++ b/docs/source/pythonapi/examples/pandas-dataframes.ipynb @@ -0,0 +1,2467 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "This notebook demonstrates how systematic analysis of tally scores is possible using Pandas dataframes. A dataframe can be automatically generated using the `Tally.get_pandas_dataframe(...)` method. Furthermore, by linking the tally data in a statepoint file with geometry and material information from a summary file, the dataframe can be shown with user-supplied labels.\n", + "\n", + "**Note:** that this Notebook was created using the latest Pandas v0.16.1. Everything in the Notebook will wun with older versions of Pandas, but the multi-indexing option in >v0.15.0 makes the tables look prettier." + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "import glob\n", + "from IPython.display import Image\n", + "import matplotlib.pylab as pylab\n", + "import scipy.stats\n", + "import numpy as np\n", + "\n", + "import openmc\n", + "from openmc.statepoint import StatePoint\n", + "from openmc.summary import Summary\n", + "\n", + "%matplotlib inline" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Generate Input Files" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "First we need to define materials that will be used in the problem. Before defining a material, we must create nuclides that are used in the material." + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# Instantiate some Nuclides\n", + "h1 = openmc.Nuclide('H-1')\n", + "b10 = openmc.Nuclide('B-10')\n", + "o16 = openmc.Nuclide('O-16')\n", + "u235 = openmc.Nuclide('U-235')\n", + "u238 = openmc.Nuclide('U-238')\n", + "zr90 = openmc.Nuclide('Zr-90')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "With the nuclides we defined, we will now create three materials for the fuel, water, and cladding of the fuel pin." + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# 1.6 enriched fuel\n", + "fuel = openmc.Material(name='1.6% Fuel')\n", + "fuel.set_density('g/cm3', 10.31341)\n", + "fuel.add_nuclide(u235, 3.7503e-4)\n", + "fuel.add_nuclide(u238, 2.2625e-2)\n", + "fuel.add_nuclide(o16, 4.6007e-2)\n", + "\n", + "# borated water\n", + "water = openmc.Material(name='Borated Water')\n", + "water.set_density('g/cm3', 0.740582)\n", + "water.add_nuclide(h1, 4.9457e-2)\n", + "water.add_nuclide(o16, 2.4732e-2)\n", + "water.add_nuclide(b10, 8.0042e-6)\n", + "\n", + "# zircaloy\n", + "zircaloy = openmc.Material(name='Zircaloy')\n", + "zircaloy.set_density('g/cm3', 6.55)\n", + "zircaloy.add_nuclide(zr90, 7.2758e-3)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "With our three materials, we can now create a materials file object that can be exported to an actual XML file." + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Instantiate a MaterialsFile, add Materials\n", + "materials_file = openmc.MaterialsFile()\n", + "materials_file.add_material(fuel)\n", + "materials_file.add_material(water)\n", + "materials_file.add_material(zircaloy)\n", + "materials_file.default_xs = '71c'\n", + "\n", + "# Export to \"materials.xml\"\n", + "materials_file.export_to_xml()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Now let's move on to the geometry. This problem will be a square array of fuel pins, which we can use OpenMC's lattice/universe feature for. The basic universe will have three regions for the fuel, the clad, and the surrounding coolant. The first step is to create the bounding surfaces for fuel and clad, as well as the outer bounding surfaces of the problem." + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Create cylinders for the fuel and clad\n", + "fuel_outer_radius = openmc.ZCylinder(x0=0.0, y0=0.0, R=0.39218)\n", + "clad_outer_radius = openmc.ZCylinder(x0=0.0, y0=0.0, R=0.45720)\n", + "\n", + "# Create boundary planes to surround the geometry\n", + "# Use both reflective and vacuum boundaries to make life interesting\n", + "min_x = openmc.XPlane(x0=-10.71, boundary_type='reflective')\n", + "max_x = openmc.XPlane(x0=+10.71, boundary_type='vacuum')\n", + "min_y = openmc.YPlane(y0=-10.71, boundary_type='vacuum')\n", + "max_y = openmc.YPlane(y0=+10.71, boundary_type='reflective')\n", + "min_z = openmc.ZPlane(z0=-10.71, boundary_type='reflective')\n", + "max_z = openmc.ZPlane(z0=+10.71, boundary_type='reflective')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "With the surfaces defined, we can now create cells that are defined by intersections of half-spaces created by the surfaces." + ] + }, + { + "cell_type": "code", + "execution_count": 6, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Create a Universe to encapsulate a fuel pin\n", + "pin_cell_universe = openmc.Universe(name='1.6% Fuel Pin')\n", + "\n", + "# Create fuel Cell\n", + "fuel_cell = openmc.Cell(name='1.6% Fuel')\n", + "fuel_cell.fill = fuel\n", + "fuel_cell.add_surface(fuel_outer_radius, halfspace=-1)\n", + "pin_cell_universe.add_cell(fuel_cell)\n", + "\n", + "# Create a clad Cell\n", + "clad_cell = openmc.Cell(name='1.6% Clad')\n", + "clad_cell.fill = zircaloy\n", + "clad_cell.add_surface(fuel_outer_radius, halfspace=+1)\n", + "clad_cell.add_surface(clad_outer_radius, halfspace=-1)\n", + "pin_cell_universe.add_cell(clad_cell)\n", + "\n", + "# Create a moderator Cell\n", + "moderator_cell = openmc.Cell(name='1.6% Moderator')\n", + "moderator_cell.fill = water\n", + "moderator_cell.add_surface(clad_outer_radius, halfspace=+1)\n", + "pin_cell_universe.add_cell(moderator_cell)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Using the pin cell universe, we can construct a 17x17 rectangular lattice with a 1.26cm pitch." + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Create fuel assembly Lattice\n", + "assembly = openmc.RectLattice(name='1.6% Fuel - 0BA')\n", + "assembly.dimension = (17, 17)\n", + "assembly.pitch = (1.26, 1.26)\n", + "assembly.lower_left = [-1.26 * 17. / 2.0] * 2\n", + "assembly.universes = [[pin_cell_universe] * 17] * 17" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "OpenMC requires that there is a \"root\" universe. Let us create a root cell that is filled by the pin cell universe and then assign it to the root universe." + ] + }, + { + "cell_type": "code", + "execution_count": 8, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Create root Cell\n", + "root_cell = openmc.Cell(name='root cell')\n", + "root_cell.fill = assembly\n", + "\n", + "# Add boundary planes\n", + "root_cell.add_surface(min_x, halfspace=+1)\n", + "root_cell.add_surface(max_x, halfspace=-1)\n", + "root_cell.add_surface(min_y, halfspace=+1)\n", + "root_cell.add_surface(max_y, halfspace=-1)\n", + "root_cell.add_surface(min_z, halfspace=+1)\n", + "root_cell.add_surface(max_z, halfspace=-1)\n", + "\n", + "# Create root Universe\n", + "root_universe = openmc.Universe(universe_id=0, name='root universe')\n", + "root_universe.add_cell(root_cell)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "We now must create a geometry that is assigned a root universe, put the geometry into a geometry file, and export it to XML." + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# Create Geometry and set root Universe\n", + "geometry = openmc.Geometry()\n", + "geometry.root_universe = root_universe" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Instantiate a GeometryFile\n", + "geometry_file = openmc.GeometryFile()\n", + "geometry_file.geometry = geometry\n", + "\n", + "# Export to \"geometry.xml\"\n", + "geometry_file.export_to_xml()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "With the geometry and materials finished, we now just need to define simulation parameters. In this case, we will use 5 inactive batches and 15 minimum active batches each with 2500 particles. We also tell OpenMC to turn tally triggers on, which means it will keep running until some criterion on the uncertainty of tallies is reached." + ] + }, + { + "cell_type": "code", + "execution_count": 11, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# OpenMC simulation parameters\n", + "min_batches = 20\n", + "max_batches = 200\n", + "inactive = 5\n", + "particles = 2500\n", + "\n", + "# Instantiate a SettingsFile\n", + "settings_file = openmc.SettingsFile()\n", + "settings_file.batches = min_batches\n", + "settings_file.inactive = inactive\n", + "settings_file.particles = particles\n", + "settings_file.output = {'tallies': False, 'summary': True}\n", + "settings_file.trigger_active = True\n", + "settings_file.trigger_max_batches = max_batches\n", + "source_bounds = [-10.71, -10.71, -10, 10.71, 10.71, 10.]\n", + "settings_file.set_source_space('box', source_bounds)\n", + "\n", + "# Export to \"settings.xml\"\n", + "settings_file.export_to_xml()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Let us also create a plot file that we can use to verify that our pin cell geometry was created successfully." + ] + }, + { + "cell_type": "code", + "execution_count": 12, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Instantiate a Plot\n", + "plot = openmc.Plot(plot_id=1)\n", + "plot.filename = 'materials-xy'\n", + "plot.origin = [0, 0, 0]\n", + "plot.width = [21.5, 21.5]\n", + "plot.pixels = [250, 250]\n", + "plot.color = 'mat'\n", + "\n", + "# Instantiate a PlotsFile, add Plot, and export to \"plots.xml\"\n", + "plot_file = openmc.PlotsFile()\n", + "plot_file.add_plot(plot)\n", + "plot_file.export_to_xml()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "With the plots.xml file, we can now generate and view the plot. OpenMC outputs plots in .ppm format, which can be converted into a compressed format like .png with the convert utility." + ] + }, + { + "cell_type": "code", + "execution_count": 13, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Run openmc in plotting mode\n", + "executor = openmc.Executor()\n", + "executor.plot_geometry(output=False)" + ] + }, + { + "cell_type": "code", + "execution_count": 14, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "image/png": "iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6AgMAAAD1grKuAAAABGdBTUEAALGPC/xhBQAAAAFzUkdC\nAK7OHOkAAAAgY0hSTQAAeiYAAICEAAD6AAAAgOgAAHUwAADqYAAAOpgAABdwnLpRPAAAAAxQTFRF\n////chIS6YCRTb/E6kGE+wAAAAFiS0dEAIgFHUgAAAAJcEhZcwAAAEgAAABIAEbJaz4AAAPZSURB\nVGje7Zs7buMwEIZ9iey50gyNjQpXKTYudIScgkdQYTfut1idwkdQkQNsYQO2Qj0sPiVK+mlQDmwg\nwIcgg8Cc4fCTSK5W4OeFkM8rHv+2I/rgxPZEPZgR7XtQxKdXYuUXJSUnBQ/9WCgo4vOSJ+WFUvF7\nE08mlia+rn7VcKXP8sRszFX8b2MdX2y6v1Tw6MZUw4H4ojfIjD8mvn/qRL5p4+vvlMqvp2EhR8WB\nzfiz20hXORmP9fi/bM9EeUFvV5H/0yRkeSbiGRfFJErxD9ENdz7Mbhig/h89fvtFdMiI/ePUIXV4\nlXju8K3DKv9NThOZ3q2KmUy6grxFES8rjeyic+FFQav+ncg3fXjH+Ts+/iibztFqOiZuZP/Z3Oaf\nPX40NGgST2r+uvQkXXp6cKvmr+r0e1Eef5um3+JHP3IFF1D/seNZJgaDmvY0Gav1s+2f1fqpIcub\nlfKGt6apotG/NVx3SInWtLX+7Vg/Pv1YqOsnun6JSVdOXT/X7vk75f938QP+8OmSBs0fXtymMhJb\nf8qlPynYmpKCh7OB1fzNalOj1sl0ZAruHLiA+RM73pDe/VjMVP89+aTXwjyc/x5n+u991895/utr\nJTy8/06TXh0r/5JOa2JmYmqi4r/vUm/H4wLmT+z4anhr05X+q6KUXhtzr/9qSff5L5uMT//V/NdU\n4YuBTPa/8P67l/6r44ds+hYuoP5jx9ciy6XTWlibBrmx8V/TdMfjkP+6pOsu/lvM9N90sf7r+f6m\n/65n+S8p/itN15v0UkW3/+48+PRfJX6S9Joo4g+G/1qYG9KroqP/WypcuvyXPf13wH89/hHef7MB\n6R3Cqn55U4rv4kfH3zaSgQuYP7HjVf89tXrbO+hfLdr+Ozv/SP1dgtQ/Ov8C+i/3+q/Zf2D/HWi6\nbjT6rym9I/v/03/b+LHS4cTg/utTsV7/net/Afzz4f0XGX84/2j9xZ4/sePR/of2X7D/o+vPo/sv\n6h9B/Bfxr9j1Hz2eN/hO8/wfff4A848+f/1A/530/I0+/8PvH9D3H9HnT+R49P0b+v4PfP/4E/wX\nfP8Mvf9G37/D/ovuP8SeP7Hj0f0vdP8tqP9O339cyv7p3P1fdP8Z3v9G999j13/seMax8x/o+ZN7\n+O+E8zdP/8XOf8Hnz9Dzb7HnT+x49PxlCp7/BM+fOv13wvnXBfivt2lMvD8TyH/Hnb+Gz3+j589j\nz5/Y8ej9h4D+W7qQmf57efqv239n3T+C7z+h969i13/seMax+3/o/cMcu/8Y2H9n3p+J6r98pv8m\n4fwXuH+M3n+OO3++AX9clR+4PhbRAAAAJXRFWHRkYXRlOmNyZWF0ZQAyMDE1LTA4LTA4VDA5OjI2\nOjM4KzA3OjAwuRKYlgAAACV0RVh0ZGF0ZTptb2RpZnkAMjAxNS0wOC0wOFQwOToyNjozOCswNzow\nMMhPICoAAAAASUVORK5CYII=\n", + "text/plain": [ + "" + ] + }, + "execution_count": 14, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Convert OpenMC's funky ppm to png\n", + "!convert materials-xy.ppm materials-xy.png\n", + "\n", + "# Display the materials plot inline\n", + "Image(filename='materials-xy.png')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "As we can see from the plot, we have a nice array of pin cells with fuel, cladding, and water! Before we run our simulation, we need to tell the code what we want to tally. The following code shows how to create a variety of tallies." + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# Instantiate an empty TalliesFile\n", + "tallies_file = openmc.TalliesFile()\n", + "tallies_file._tallies = []" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Instantiate a fission rate mesh Tally" + ] + }, + { + "cell_type": "code", + "execution_count": 16, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Instantiate a tally Mesh\n", + "mesh = openmc.Mesh(mesh_id=1)\n", + "mesh.type = 'rectangular'\n", + "mesh.dimension = [17, 17]\n", + "mesh.lower_left = [-10.71, -10.71]\n", + "mesh.width = [1.26, 1.26]\n", + "\n", + "# Instantiate tally Filter\n", + "mesh_filter = openmc.Filter()\n", + "mesh_filter.mesh = mesh\n", + "\n", + "# Instantiate energy Filter\n", + "energy_filter = openmc.Filter()\n", + "energy_filter.type = 'energy'\n", + "energy_filter.bins = np.array([0, 0.625e-6, 20.])\n", + "\n", + "# Instantiate the Tally\n", + "tally = openmc.Tally(name='mesh tally')\n", + "tally.add_filter(mesh_filter)\n", + "tally.add_filter(energy_filter)\n", + "tally.add_score('fission')\n", + "tally.add_score('nu-fission')\n", + "\n", + "# Add mesh and Tally to TalliesFile\n", + "tallies_file.add_mesh(mesh)\n", + "tallies_file.add_tally(tally)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Instantiate a cell Tally with nuclides" + ] + }, + { + "cell_type": "code", + "execution_count": 17, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Instantiate tally Filter\n", + "cell_filter = openmc.Filter(type='cell', bins=[fuel_cell.id])\n", + "\n", + "# Instantiate the tally\n", + "tally = openmc.Tally(name='cell tally')\n", + "tally.add_filter(cell_filter)\n", + "tally.add_score('scatter-y2')\n", + "tally.add_nuclide(u235)\n", + "tally.add_nuclide(u238)\n", + "\n", + "# Add mesh and tally to TalliesFile\n", + "tallies_file.add_tally(tally)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Create a \"distribcell\" Tally. The distribcell filter allows us to tally multiple repeated instances of the same cell throughout the geometry." + ] + }, + { + "cell_type": "code", + "execution_count": 18, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# Instantiate tally Filter\n", + "distribcell_filter = openmc.Filter(type='distribcell', bins=[moderator_cell.id])\n", + "\n", + "# Instantiate tally Trigger for kicks\n", + "trigger = openmc.Trigger(trigger_type='std_dev', threshold=5e-5)\n", + "trigger.add_score('absorption')\n", + "\n", + "# Instantiate the Tally\n", + "tally = openmc.Tally(name='distribcell tally')\n", + "tally.add_filter(distribcell_filter)\n", + "tally.add_score('absorption')\n", + "tally.add_score('scatter')\n", + "tally.add_trigger(trigger)\n", + "\n", + "# Add mesh and tally to TalliesFile\n", + "tallies_file.add_tally(tally)" + ] + }, + { + "cell_type": "code", + "execution_count": 19, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# Export to \"tallies.xml\"\n", + "tallies_file.export_to_xml()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Now we a have a complete set of inputs, so we can go ahead and run our simulation." + ] + }, + { + "cell_type": "code", + "execution_count": 20, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "\n", + " .d88888b. 888b d888 .d8888b.\n", + " d88P\" \"Y88b 8888b d8888 d88P Y88b\n", + " 888 888 88888b.d88888 888 888\n", + " 888 888 88888b. .d88b. 88888b. 888Y88888P888 888 \n", + " 888 888 888 \"88b d8P Y8b 888 \"88b 888 Y888P 888 888 \n", + " 888 888 888 888 88888888 888 888 888 Y8P 888 888 888\n", + " Y88b. .d88P 888 d88P Y8b. 888 888 888 \" 888 Y88b d88P\n", + " \"Y88888P\" 88888P\" \"Y8888 888 888 888 888 \"Y8888P\"\n", + "__________________888______________________________________________________\n", + " 888\n", + " 888\n", + "\n", + " Copyright: 2011-2015 Massachusetts Institute of Technology\n", + " License: http://mit-crpg.github.io/openmc/license.html\n", + " Version: 0.6.2\n", + " Date/Time: 2015-08-11 13:40:43\n", + " MPI Processes: 4\n", + "\n", + " ===========================================================================\n", + " ========================> INITIALIZATION <=========================\n", + " ===========================================================================\n", + "\n", + " Reading settings XML file...\n", + " Reading cross sections XML file...\n", + " Reading geometry XML file...\n", + " Reading materials XML file...\n", + " Reading tallies XML file...\n", + " Building neighboring cells lists for each surface...\n", + " Loading ACE cross section table: 92238.71c\n", + " Loading ACE cross section table: 8016.71c\n", + " Loading ACE cross section table: 92235.71c\n", + " Loading ACE cross section table: 5010.71c\n", + " Loading ACE cross section table: 1001.71c\n", + " Loading ACE cross section table: 40090.71c\n", + " Initializing source particles...\n", + "\n", + " ===========================================================================\n", + " ====================> K EIGENVALUE SIMULATION <====================\n", + " ===========================================================================\n", + "\n", + " Bat./Gen. k Average k \n", + " ========= ======== ==================== \n", + " 1/1 0.60069 \n", + " 2/1 0.62857 \n", + " 3/1 0.69431 \n", + " 4/1 0.65935 \n", + " 5/1 0.68092 \n", + " 6/1 0.64791 \n", + " 7/1 0.65859 0.65325 +/- 0.00534\n", + " 8/1 0.67381 0.66010 +/- 0.00752\n", + " 9/1 0.74149 0.68045 +/- 0.02103\n", + " 10/1 0.68244 0.68085 +/- 0.01629\n", + " 11/1 0.68068 0.68082 +/- 0.01330\n", + " 12/1 0.70394 0.68412 +/- 0.01172\n", + " 13/1 0.68624 0.68439 +/- 0.01015\n", + " 14/1 0.65667 0.68131 +/- 0.00947\n", + " 15/1 0.70080 0.68326 +/- 0.00869\n", + " 16/1 0.69639 0.68445 +/- 0.00795\n", + " 17/1 0.68786 0.68474 +/- 0.00726\n", + " 18/1 0.63698 0.68106 +/- 0.00762\n", + " 19/1 0.62785 0.67726 +/- 0.00802\n", + " 20/1 0.65759 0.67595 +/- 0.00758\n", + " Triggers unsatisfied, max unc./thresh. is 1.20713 for absorption in tally 10002\n", + " The estimated number of batches is 27\n", + " Creating state point statepoint.020.h5...\n", + " 21/1 0.68391 0.67645 +/- 0.00711\n", + " 22/1 0.69243 0.67739 +/- 0.00674\n", + " 23/1 0.65491 0.67614 +/- 0.00648\n", + " 24/1 0.64021 0.67425 +/- 0.00641\n", + " 25/1 0.72281 0.67668 +/- 0.00655\n", + " 26/1 0.71261 0.67839 +/- 0.00646\n", + " 27/1 0.69503 0.67914 +/- 0.00621\n", + " Triggers satisfied for batch 27\n", + " Creating state point statepoint.027.h5...\n", + "\n", + " ===========================================================================\n", + " ======================> SIMULATION FINISHED <======================\n", + " ===========================================================================\n", + "\n", + "\n", + " =======================> TIMING STATISTICS <=======================\n", + "\n", + " Total time for initialization = 9.7300E-01 seconds\n", + " Reading cross sections = 3.0300E-01 seconds\n", + " Total time in simulation = 5.9130E+00 seconds\n", + " Time in transport only = 5.4000E+00 seconds\n", + " Time in inactive batches = 7.7300E-01 seconds\n", + " Time in active batches = 5.1400E+00 seconds\n", + " Time synchronizing fission bank = 4.4600E-01 seconds\n", + " Sampling source sites = 0.0000E+00 seconds\n", + " SEND/RECV source sites = 0.0000E+00 seconds\n", + " Time accumulating tallies = 9.0000E-03 seconds\n", + " Total time for finalization = 0.0000E+00 seconds\n", + " Total time elapsed = 6.8870E+00 seconds\n", + " Calculation Rate (inactive) = 16170.8 neutrons/second\n", + " Calculation Rate (active) = 7295.72 neutrons/second\n", + "\n", + " ============================> RESULTS <============================\n", + "\n", + " k-effective (Collision) = 0.68117 +/- 0.00597\n", + " k-effective (Track-length) = 0.67914 +/- 0.00621\n", + " k-effective (Absorption) = 0.67898 +/- 0.00471\n", + " Combined k-effective = 0.67922 +/- 0.00479\n", + " Leakage Fraction = 0.34264 +/- 0.00301\n", + "\n" + ] + }, + { + "data": { + "text/plain": [ + "0" + ] + }, + "execution_count": 20, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Remove old HDF5 (summary, statepoint) files\n", + "!rm statepoint.*\n", + "\n", + "# Run OpenMC with MPI!\n", + "executor.run_simulation(mpi_procs=4)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Tally Data Processing" + ] + }, + { + "cell_type": "code", + "execution_count": 21, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# We do not know how many batches were needed to satisfy the \n", + "# tally trigger(s), so find the statepoint file(s)\n", + "statepoints = glob.glob('statepoint.*.h5')\n", + "\n", + "# Load the last statepoint file\n", + "sp = StatePoint(statepoints[-1])\n", + "sp.read_results()\n", + "sp.compute_stdev()" + ] + }, + { + "cell_type": "code", + "execution_count": 22, + "metadata": { + "collapsed": false, + "scrolled": true + }, + "outputs": [], + "source": [ + "# Load the summary file and link with statepoint\n", + "su = Summary('summary.h5')\n", + "sp.link_with_summary(su)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "**Analyze the mesh fission rate tally**" + ] + }, + { + "cell_type": "code", + "execution_count": 23, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Tally\n", + "\tID =\t10000\n", + "\tName =\tmesh tally\n", + "\tFilters =\t\n", + " \t\tmesh\t[1]\n", + " \t\tenergy\t[ 0.00000000e+00 6.25000000e-07 2.00000000e+01]\n", + "\tNuclides =\ttotal \n", + "\tScores =\t['fission', 'nu-fission']\n", + "\tEstimator =\ttracklength\n", + "\n" + ] + } + ], + "source": [ + "# Find the mesh tally with the StatePoint API\n", + "tally = sp.get_tally(name='mesh tally')\n", + "\n", + "# Print a little info about the mesh tally to the screen\n", + "print(tally)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Use the new Tally data retrieval API with pure NumPy" + ] + }, + { + "cell_type": "code", + "execution_count": 24, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "[[[ 0.14583021]]\n", + "\n", + " [[ 0.07846909]]\n", + "\n", + " [[ 0.33705448]]\n", + "\n", + " [[ 0.15150059]]]\n" + ] + } + ], + "source": [ + "# Get the relative error for the thermal fission reaction \n", + "# rates in the four corner pins \n", + "data = tally.get_values(scores=['fission'], filters=['mesh', 'energy'], \\\n", + " filter_bins=[((1,1),(1,17), (17,1), (17,17)), \\\n", + " ((0., 0.625e-6),)], value='rel_err')\n", + "print(data)" + ] + }, + { + "cell_type": "code", + "execution_count": 25, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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mesh 1energy [MeV]scoremeanstd. dev.
xyz
bin
01110.0e+00 - 6.3e-07fission0.0002360.000034
11110.0e+00 - 6.3e-07nu-fission0.0005760.000084
21116.3e-07 - 2.0e+01fission0.0000690.000004
31116.3e-07 - 2.0e+01nu-fission0.0001830.000011
41210.0e+00 - 6.3e-07fission0.0003660.000052
51210.0e+00 - 6.3e-07nu-fission0.0008920.000127
61216.3e-07 - 2.0e+01fission0.0001090.000009
71216.3e-07 - 2.0e+01nu-fission0.0002840.000021
81310.0e+00 - 6.3e-07fission0.0005400.000058
91310.0e+00 - 6.3e-07nu-fission0.0013160.000141
101316.3e-07 - 2.0e+01fission0.0001440.000017
111316.3e-07 - 2.0e+01nu-fission0.0003760.000041
121410.0e+00 - 6.3e-07fission0.0008300.000085
131410.0e+00 - 6.3e-07nu-fission0.0020220.000207
141416.3e-07 - 2.0e+01fission0.0001680.000013
151416.3e-07 - 2.0e+01nu-fission0.0004340.000034
161510.0e+00 - 6.3e-07fission0.0007380.000043
171510.0e+00 - 6.3e-07nu-fission0.0017990.000105
181516.3e-07 - 2.0e+01fission0.0001860.000010
191516.3e-07 - 2.0e+01nu-fission0.0004860.000026
\n", + "
" + ], + "text/plain": [ + " mesh 1 energy [MeV] score mean std. dev.\n", + " x y z \n", + "bin \n", + "0 1 1 1 0.0e+00 - 6.3e-07 fission 0.000236 0.000034\n", + "1 1 1 1 0.0e+00 - 6.3e-07 nu-fission 0.000576 0.000084\n", + "2 1 1 1 6.3e-07 - 2.0e+01 fission 0.000069 0.000004\n", + "3 1 1 1 6.3e-07 - 2.0e+01 nu-fission 0.000183 0.000011\n", + "4 1 2 1 0.0e+00 - 6.3e-07 fission 0.000366 0.000052\n", + "5 1 2 1 0.0e+00 - 6.3e-07 nu-fission 0.000892 0.000127\n", + "6 1 2 1 6.3e-07 - 2.0e+01 fission 0.000109 0.000009\n", + "7 1 2 1 6.3e-07 - 2.0e+01 nu-fission 0.000284 0.000021\n", + "8 1 3 1 0.0e+00 - 6.3e-07 fission 0.000540 0.000058\n", + "9 1 3 1 0.0e+00 - 6.3e-07 nu-fission 0.001316 0.000141\n", + "10 1 3 1 6.3e-07 - 2.0e+01 fission 0.000144 0.000017\n", + "11 1 3 1 6.3e-07 - 2.0e+01 nu-fission 0.000376 0.000041\n", + "12 1 4 1 0.0e+00 - 6.3e-07 fission 0.000830 0.000085\n", + "13 1 4 1 0.0e+00 - 6.3e-07 nu-fission 0.002022 0.000207\n", + "14 1 4 1 6.3e-07 - 2.0e+01 fission 0.000168 0.000013\n", + "15 1 4 1 6.3e-07 - 2.0e+01 nu-fission 0.000434 0.000034\n", + "16 1 5 1 0.0e+00 - 6.3e-07 fission 0.000738 0.000043\n", + "17 1 5 1 0.0e+00 - 6.3e-07 nu-fission 0.001799 0.000105\n", + "18 1 5 1 6.3e-07 - 2.0e+01 fission 0.000186 0.000010\n", + "19 1 5 1 6.3e-07 - 2.0e+01 nu-fission 0.000486 0.000026" + ] + }, + "execution_count": 25, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Get a pandas dataframe for the mesh tally data\n", + "df = tally.get_pandas_dataframe(nuclides=False)\n", + "\n", + "# Print the first twenty rows in the dataframe\n", + "df.head(20)" + ] + }, + { + "cell_type": "code", + "execution_count": 26, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "image/png": 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+ "text/plain": [ + "" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "# Create a boxplot to view the distribution of\n", + "# fission and nu-fission rates in the pins\n", + "bp = df.boxplot(column='mean', by='score')" + ] + }, + { + "cell_type": "code", + "execution_count": 27, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 27, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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+ "text/plain": [ + "" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "# Extract thermal nu-fission rates from pandas\n", + "fiss = df[df['score'] == 'nu-fission']\n", + "fiss = fiss[fiss['energy [MeV]'] == '0.0e+00 - 6.3e-07']\n", + "\n", + "# Extract mean and reshape as 2D NumPy arrays\n", + "mean = fiss['mean'].reshape((17,17))\n", + "\n", + "pylab.imshow(mean, interpolation='nearest')\n", + "pylab.title('fission rate')\n", + "pylab.xlabel('x')\n", + "pylab.ylabel('y')\n", + "pylab.colorbar()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "**Analyze the cell+nuclides scatter-y2 rate tally**" + ] + }, + { + "cell_type": "code", + "execution_count": 28, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Tally\n", + "\tID =\t10001\n", + "\tName =\tcell tally\n", + "\tFilters =\t\n", + " \t\tcell\t[10000]\n", + "\tNuclides =\tU-235 U-238 \n", + "\tScores =\t['scatter-Y0,0', 'scatter-Y1,-1', 'scatter-Y1,0', 'scatter-Y1,1', 'scatter-Y2,-2', 'scatter-Y2,-1', 'scatter-Y2,0', 'scatter-Y2,1', 'scatter-Y2,2']\n", + "\tEstimator =\tanalog\n", + "\n" + ] + } + ], + "source": [ + "# Find the cell Tally with the StatePoint API\n", + "tally = sp.get_tally(name='cell tally')\n", + "\n", + "# Print a little info about the cell tally to the screen\n", + "print(tally)" + ] + }, + { + "cell_type": "code", + "execution_count": 29, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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1710000U-238scatter-Y2,20.0000020.001718
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" + ], + "text/plain": [ + " cell nuclide score mean std. dev.\n", + "bin \n", + "0 10000 U-235 scatter-Y0,0 0.036453 0.000941\n", + "1 10000 U-235 scatter-Y1,-1 -0.000725 0.000261\n", + "2 10000 U-235 scatter-Y1,0 -0.000088 0.000408\n", + "3 10000 U-235 scatter-Y1,1 0.000986 0.000412\n", + "4 10000 U-235 scatter-Y2,-2 0.000098 0.000204\n", + "5 10000 U-235 scatter-Y2,-1 -0.000358 0.000247\n", + "6 10000 U-235 scatter-Y2,0 0.000197 0.000140\n", + "7 10000 U-235 scatter-Y2,1 -0.000084 0.000196\n", + "8 10000 U-235 scatter-Y2,2 0.000052 0.000168\n", + "9 10000 U-238 scatter-Y0,0 2.325600 0.015545\n", + "10 10000 U-238 scatter-Y1,-1 -0.030089 0.002460\n", + "11 10000 U-238 scatter-Y1,0 -0.004451 0.003663\n", + "12 10000 U-238 scatter-Y1,1 0.020832 0.002831\n", + "13 10000 U-238 scatter-Y2,-2 -0.004149 0.001530\n", + "14 10000 U-238 scatter-Y2,-1 0.000735 0.001729\n", + "15 10000 U-238 scatter-Y2,0 0.003431 0.002098\n", + "16 10000 U-238 scatter-Y2,1 0.000385 0.001263\n", + "17 10000 U-238 scatter-Y2,2 0.000002 0.001718" + ] + }, + "execution_count": 29, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Get a pandas dataframe for the cell tally data\n", + "df = tally.get_pandas_dataframe()\n", + "\n", + "# Print the first twenty rows in the dataframe\n", + "df.head(100)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Use the new Tally data retrieval API with pure NumPy" + ] + }, + { + "cell_type": "code", + "execution_count": 30, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "[[[ 0.00171834 0.01554515]\n", + " [ 0.00016768 0.00094081]]]\n" + ] + } + ], + "source": [ + "# Get the standard deviations for two of the spherical harmonic\n", + "# scattering reaction rates \n", + "data = tally.get_values(scores=['scatter-Y2,2', 'scatter-Y0,0'], \n", + " nuclides=['U-238', 'U-235'], value='std_dev')\n", + "print(data)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "**Analyze the distribcell tally**" + ] + }, + { + "cell_type": "code", + "execution_count": 31, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Tally\n", + "\tID =\t10002\n", + "\tName =\tdistribcell tally\n", + "\tFilters =\t\n", + " \t\tdistribcell\t[10002]\n", + "\tNuclides =\ttotal \n", + "\tScores =\t['absorption', 'scatter']\n", + "\tEstimator =\ttracklength\n", + "\n" + ] + } + ], + "source": [ + "# Find the distribcell Tally with the StatePoint API\n", + "tally = sp.get_tally(name='distribcell tally')\n", + "\n", + "# Print a little info about the distribcell tally to the screen\n", + "print(tally)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Use the new Tally data retrieval API with pure NumPy" + ] + }, + { + "cell_type": "code", + "execution_count": 32, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "[[[ 0.04682759]]\n", + "\n", + " [[ 0.03205271]]\n", + "\n", + " [[ 0.03592433]]\n", + "\n", + " [[ 0.02417979]]\n", + "\n", + " [[ 0.02524314]]\n", + "\n", + " [[ 0.02390359]]\n", + "\n", + " [[ 0.0274475 ]]\n", + "\n", + " [[ 0.02827721]]\n", + "\n", + " [[ 0.0231313 ]]\n", + "\n", + " [[ 0.01898386]]]\n" + ] + } + ], + "source": [ + "# Get the relative error for the scattering reaction rates in\n", + "# the first 30 distribcell instances \n", + "data = tally.get_values(scores=['scatter'], filters=['distribcell'],\n", + " filter_bins=[range(10)], value='rel_err')\n", + "print(data)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Print the distribcell tally dataframe **without** OpenCG info" + ] + }, + { + "cell_type": "code", + "execution_count": 33, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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distribcellscoremeanstd. dev.
bin
558279absorption0.0000950.000009
559279scatter0.0136110.000544
560280absorption0.0000960.000009
561280scatter0.0139990.000568
562281absorption0.0001170.000015
563281scatter0.0159510.000682
564282absorption0.0001040.000011
565282scatter0.0160570.000574
566283absorption0.0001170.000013
567283scatter0.0159970.000706
568284absorption0.0001080.000007
569284scatter0.0167200.000639
570285absorption0.0001160.000008
571285scatter0.0177640.000639
572286absorption0.0001110.000014
573286scatter0.0181010.000766
574287absorption0.0001150.000012
575287scatter0.0184110.000655
576288absorption0.0001380.000014
577288scatter0.0191540.000763
\n", + "
" + ], + "text/plain": [ + " distribcell score mean std. dev.\n", + "bin \n", + "558 279 absorption 0.000095 0.000009\n", + "559 279 scatter 0.013611 0.000544\n", + "560 280 absorption 0.000096 0.000009\n", + "561 280 scatter 0.013999 0.000568\n", + "562 281 absorption 0.000117 0.000015\n", + "563 281 scatter 0.015951 0.000682\n", + "564 282 absorption 0.000104 0.000011\n", + "565 282 scatter 0.016057 0.000574\n", + "566 283 absorption 0.000117 0.000013\n", + "567 283 scatter 0.015997 0.000706\n", + "568 284 absorption 0.000108 0.000007\n", + "569 284 scatter 0.016720 0.000639\n", + "570 285 absorption 0.000116 0.000008\n", + "571 285 scatter 0.017764 0.000639\n", + "572 286 absorption 0.000111 0.000014\n", + "573 286 scatter 0.018101 0.000766\n", + "574 287 absorption 0.000115 0.000012\n", + "575 287 scatter 0.018411 0.000655\n", + "576 288 absorption 0.000138 0.000014\n", + "577 288 scatter 0.019154 0.000763" + ] + }, + "execution_count": 33, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Get a pandas dataframe for the distribcell tally data\n", + "df = tally.get_pandas_dataframe(nuclides=False)\n", + "\n", + "# Print the last twenty rows in the dataframe\n", + "df.tail(20)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Print the distribcell tally dataframe **with** OpenCG info" + ] + }, + { + "cell_type": "code", + "execution_count": 34, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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level 1level 2level 3distribcellscoremeanstd. dev.
cellunivlatcelluniv
idididxyzidid
bin
01000301000100010002100000absorption0.0001220.000010
11000301000100010002100000scatter0.0185960.000871
21000301000110010002100001absorption0.0002060.000014
31000301000110010002100001scatter0.0297330.000953
41000301000120010002100002absorption0.0002800.000018
51000301000120010002100002scatter0.0384940.001383
61000301000130010002100003absorption0.0003840.000026
71000301000130010002100003scatter0.0488390.001181
81000301000140010002100004absorption0.0004570.000023
91000301000140010002100004scatter0.0580610.001466
101000301000150010002100005absorption0.0004940.000026
111000301000150010002100005scatter0.0658740.001575
121000301000160010002100006absorption0.0004900.000032
131000301000160010002100006scatter0.0724200.001988
141000301000170010002100007absorption0.0006050.000042
151000301000170010002100007scatter0.0788020.002228
161000301000180010002100008absorption0.0006270.000037
171000301000180010002100008scatter0.0836840.001936
181000301000190010002100009absorption0.0007110.000040
191000301000190010002100009scatter0.0889890.001689
\n", + "
" + ], + "text/plain": [ + " level 1 level 2 level 3 distribcell score \\\n", + " cell univ lat cell univ \n", + " id id id x y z id id \n", + "bin \n", + "0 10003 0 10001 0 0 0 10002 10000 0 absorption \n", + "1 10003 0 10001 0 0 0 10002 10000 0 scatter \n", + "2 10003 0 10001 1 0 0 10002 10000 1 absorption \n", + "3 10003 0 10001 1 0 0 10002 10000 1 scatter \n", + "4 10003 0 10001 2 0 0 10002 10000 2 absorption \n", + "5 10003 0 10001 2 0 0 10002 10000 2 scatter \n", + "6 10003 0 10001 3 0 0 10002 10000 3 absorption \n", + "7 10003 0 10001 3 0 0 10002 10000 3 scatter \n", + "8 10003 0 10001 4 0 0 10002 10000 4 absorption \n", + "9 10003 0 10001 4 0 0 10002 10000 4 scatter \n", + "10 10003 0 10001 5 0 0 10002 10000 5 absorption \n", + "11 10003 0 10001 5 0 0 10002 10000 5 scatter \n", + "12 10003 0 10001 6 0 0 10002 10000 6 absorption \n", + "13 10003 0 10001 6 0 0 10002 10000 6 scatter \n", + "14 10003 0 10001 7 0 0 10002 10000 7 absorption \n", + "15 10003 0 10001 7 0 0 10002 10000 7 scatter \n", + "16 10003 0 10001 8 0 0 10002 10000 8 absorption \n", + "17 10003 0 10001 8 0 0 10002 10000 8 scatter \n", + "18 10003 0 10001 9 0 0 10002 10000 9 absorption \n", + "19 10003 0 10001 9 0 0 10002 10000 9 scatter \n", + "\n", + " mean std. dev. \n", + " \n", + " \n", + "bin \n", + "0 0.000122 0.000010 \n", + "1 0.018596 0.000871 \n", + "2 0.000206 0.000014 \n", + "3 0.029733 0.000953 \n", + "4 0.000280 0.000018 \n", + "5 0.038494 0.001383 \n", + "6 0.000384 0.000026 \n", + "7 0.048839 0.001181 \n", + "8 0.000457 0.000023 \n", + "9 0.058061 0.001466 \n", + "10 0.000494 0.000026 \n", + "11 0.065874 0.001575 \n", + "12 0.000490 0.000032 \n", + "13 0.072420 0.001988 \n", + "14 0.000605 0.000042 \n", + "15 0.078802 0.002228 \n", + "16 0.000627 0.000037 \n", + "17 0.083684 0.001936 \n", + "18 0.000711 0.000040 \n", + "19 0.088989 0.001689 " + ] + }, + "execution_count": 34, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Get a pandas dataframe for the distribcell tally data\n", + "df = tally.get_pandas_dataframe(summary=su, nuclides=False)\n", + "\n", + "# Print the last twenty rows in the dataframe\n", + "df.head(20)" + ] + }, + { + "cell_type": "code", + "execution_count": 35, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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meanstd. dev.
count289.000000289.000000
mean0.0004140.000025
std0.0002410.000010
min0.0000130.000003
25%0.0002040.000017
50%0.0003870.000024
75%0.0005940.000031
max0.0009190.000060
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" + ], + "text/plain": [ + " mean std. dev.\n", + " \n", + " \n", + "count 289.000000 289.000000\n", + "mean 0.000414 0.000025\n", + "std 0.000241 0.000010\n", + "min 0.000013 0.000003\n", + "25% 0.000204 0.000017\n", + "50% 0.000387 0.000024\n", + "75% 0.000594 0.000031\n", + "max 0.000919 0.000060" + ] + }, + "execution_count": 35, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Show summary statistics for absorption distribcell tally data\n", + "absorption = df[df['score'] == 'absorption']\n", + "absorption[['mean', 'std. dev.']].dropna().describe()\n", + "\n", + "# Note that the maximum standard deviation does indeed\n", + "# meet the 5e-4 threshold set by the tally trigger" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Perform a statistical test comparing the tally sample distributions for two categories of fuel pins." + ] + }, + { + "cell_type": "code", + "execution_count": 36, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Mann-Whitney Test p-value: 0.378626583393\n" + ] + } + ], + "source": [ + "# Extract tally data from pins in the pins divided along y=x diagonal \n", + "multi_index = ('level 2', 'lat',)\n", + "lower = df[df[multi_index + ('x',)] + df[multi_index + ('y',)] < 16]\n", + "upper = df[df[multi_index + ('x',)] + df[multi_index + ('y',)] > 16]\n", + "lower = lower[lower['score'] == 'absorption']\n", + "upper = upper[upper['score'] == 'absorption']\n", + "\n", + "# Perform non-parametric Mann-Whitney U Test to see if the \n", + "# absorption rates (may) come from same sampling distribution\n", + "u, p = scipy.stats.mannwhitneyu(lower['mean'], upper['mean'])\n", + "print('Mann-Whitney Test p-value: {0}'.format(p))" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Note that the symmetry implied by the y=x diagonal ensures that the two sampling distributions are identical. Indeed, as illustrated by the test above, for any reasonable significance level (*e.g.*, $\\alpha$=0.05) one would **not reject** the null hypothesis that the two sampling distributions are identical.\n", + "\n", + "Next, perform the same test but with two groupings of pins which are not symmetrically identical to one another." + ] + }, + { + "cell_type": "code", + "execution_count": 37, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Mann-Whitney Test p-value: 7.18782749267e-43\n" + ] + } + ], + "source": [ + "# Extract tally data from pins in the pins divided along y=-x diagonal\n", + "multi_index = ('level 2', 'lat',)\n", + "lower = df[df[multi_index + ('x',)] > df[multi_index + ('y',)]]\n", + "upper = df[df[multi_index + ('x',)] < df[multi_index + ('y',)]]\n", + "lower = lower[lower['score'] == 'absorption']\n", + "upper = upper[upper['score'] == 'absorption']\n", + "\n", + "# Perform non-parametric Mann-Whitney U Test to see if the \n", + "# absorption rates (may) come from same sampling distribution\n", + "u, p = scipy.stats.mannwhitneyu(lower['mean'], upper['mean'])\n", + "print('Mann-Whitney Test p-value: {0}'.format(p))" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Note that the asymmetry implied by the y=-x diagonal ensures that the two sampling distributions are *not* identical. Indeed, as illustrated by the test above, for any reasonable significance level (*e.g.*, $\\alpha$=0.05) one would **reject** the null hypothesis that the two sampling distributions are identical." + ] + }, + { + "cell_type": "code", + "execution_count": 38, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/usr/local/lib/python2.7/dist-packages/IPython/kernel/__main__.py:4: SettingWithCopyWarning: \n", + "A value is trying to be set on a copy of a slice from a DataFrame.\n", + "Try using .loc[row_indexer,col_indexer] = value instead\n", + "\n", + "See the the caveats in the documentation: http://pandas.pydata.org/pandas-docs/stable/indexing.html#indexing-view-versus-copy\n" + ] + }, + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 38, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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YPOCYT4pyCyLDPks89Li7+284/vgJiTtkPvbYY0ydGmyWesYZ7+Kkk4qzFW3e\nvHlAYb788stFQQqLF38uNUBgMKJtR/vfvHlz+P+4iocegrvvPodjjz2Sc86ZnyhjvanVZzNrJGd1\nbNmyha1bt2bbaLVTn6G+CHKWRc1iS4k59QnMYudEjh8hWIDx9wQzmieAHQQ5z76a0EdGk8TaUuup\ncm9vb8T3kTNbjXWYGZrMCk1ggW9jeapZrLe3t8BX09o6bsCklOycL/TdxM1PCxcu9NbW13lr6+v8\ntNNOSzDpnehwTKJ5Lec7ams7fKBOW9vh3tY2pqSZrNh0WGwyTPLtFD7TWT52bId3dc0s20yX/Ixm\nyKFfJZIzW2hyn0sr8DiBQ7+NwR36M4g59MPzs5DPpSx6e3vDqK7C6LG8Eikc8FpbD/WOjpMHBtCc\ncgmizIp9Lsm+np6CAba4zGs97tA/7bTTfPbss0JZu0MFNStW7lCHzvA+bvGurpkDDv2urpmDKori\nQb7HA19TedFgUWUG7d7WNqakAimM0EuPjivnfzicQQDNMhhKzmzJQrnUzSzm7vvM7CICe8wI4CZ3\n32pmF4bXr3f3O8zsdDPbRjA7uSCtueGRurmZO3cub37zNNavn0+QjzRH9PH1AV8AXuDww8ezffuT\n7N37ZXbvhocfXsypp57KU089XdT2U089nbBxWH4vmNy6kvh+L8Hk9GNETWl3330Zvb3/H0uXXsHu\n3RsIzGEAm4GLCPxEf0PggzmHwEfUyl133c6aNWu45ZboTpl9wHXcf/8L9PX1lVjbMhV4E3AdY8e+\nwJo16etghrItwO7dh7N+/Xza2i6lrS2/Pie3/gieS5ErcifDmB9NiKqpVjs18gvNXIoonDn0xMxi\nueOoiWxsZJZzS/jre2asTLt3dc0sq/+g7owCc1laNFnyr/wZCcdjB2YOuRDf4B6LI96ia2QKZ1Dj\nB2ZBg80g0kxbuXrFbUcj3oJZ1sSJU8P1Oz1FslXSbzmznWpoll/akjNbaPJoMVEHCiPJvkPggL8K\nuJXAod9JNEoM/pEgWivPihWfpq1tH8Gs4zra2vaxYsWnB+27r6+Phx9+lGCmcjywANgK/C35FPtL\nCAIPyuVFYBR7957I0qVXDNzjsmUX09r6NeIRb7lZVe45dHXdTEtLD3Ae8BwjRy5h1qzpJRNK9vQs\noq3tk0S3BWhre2QgAq44Wm8h0Zlie/t4rrzycu64YzWzZz/B7NlrWbbsYlauvEERZGL/oVrt1Mgv\nNHMpSfFpAmASAAAZmklEQVQv4RmpM4nAUd5ecnV8lKTrhZkDor/sx3jge8mvwl++fHnolM/PPMwO\n9ZaW0ZF6cX/NoX7ccZN9+fLl4cyh+F5KLcDMZQSIzjpaWg7z5cuXJ9bp6DjZW1tf56NGHZlYJlcu\nybkf/Z+Xu04nq/U8ldAsv7QlZ7bQzA794XhJuZQmPlgFK/YPLRjQW1vHDTjLcw79StvNDYJ5M1ex\neaej4+QCZVSoiM4KFcVxoXyHhcdTEhVhPiquUInllFYppZhkesqlsSnnHtOeR6k0NZWYu+TQTyYn\nZ6NnPWiW5ynlIuVSNfEvYy5sefToY3306AkFYbblypk2WOZ9NYPPKJL9GjkfRc7vMiuhTG7F/zHh\n++WeC4OOz0ra2sZ4V9eslNlVocIqR75K/B9DVS6VkMVAW+1nc7gG+0JfW+Pma5Ny2U9eUi5DoxxT\nTimKnfa3DAwwwcA/0/PrSoJ1KUkzg6ScZHnTXa8H5rRDIudGexCePCZSLx8mXDiIL/cgWKEwIWZa\nv7VULrUYFAdrs9xBv5rP5nAM9tGccuWEoKfV10ywECkXKZeakDZwliNnqTUghQN3TzgTmZIaaZak\npMzGhr6YGWEb0b5yCy6L1+AU3ldvgXJLSqaZlok5ep/VDJzxZ1nOIFfJQFhK+VUiezWfzazNfUmz\n7Lh/LPhMlKdc5MNKR8pFyqUmVKNc0pJa5kib1SSRNHgsX748thg0bsJK3zIg3156+HNuAOvqmllk\nMkuSLz4g1mpGkDYQpvVXamCvZNBPkrPcexzsszDYvQ1WJmmmEvwoKE9ZKLQ7HSkXKZeakJQGf/ny\n5alyRgebtNX7adFYgw0AaQNZMAsaV9RX4IcpVEhRv1Fvb6+PHj0hcVBauHBhgUmsVNRWmky1mhGk\nDdRp/VWagqZc5VJpIEOpTAa5MsVZI8rzwSXtIRT9rGnd0NCRcpFyqQl530h+M7C0mUtSxFl0QGlt\nPdTNctFd+TDjLOzcgfkqat7KLQjtcbOxYb/dHkSQjRuY9bS0HOx5f0u3wxgfPfooz28/kD7IBQNm\nziwXpMjJRdMlKdak+jkfQSWznfTBtfj/lGuzq2tmmLpnVtlKMC5L/H9e6YBcaqYal6PUQtZylGta\n2HgaMoulI+Ui5VITKjGLJX/pc4PtTDcbExs8kjf7GirxNSpTprwtEpnWUzSL6eiY6vlQ61xGgvwv\n63yd5EEuKTtBzs+TNJOK1k8azMqdySXVDTZoK5Slo2Nq2WamJJNevF48/LxS5VKpeS5QRIcUKYm0\ne1q+fLmb5QMzkoJDSiGHfjJSLlIuNWGwaLFCM1h6hE6hAz23VuXEmpoeCrdiLvatFG5elr7FclD3\n4ILEnXkTTpKfxx16SprVSpt28s8oLcAhrkhHjz62qD2zw8qaQSW1m58J5etNmfK2grLx2WI5Zs3K\nMkQHMuR+oESd90lZqNPMsI1Ko33X08hCudRzPxfRoMQTUOaSTq5Zs6YoeWJb2ydpa7t0IBHjyJFL\n6OlZFWntQYKULl8Mjy9h1qzzan4PPT2LuOeeD9If20pu5MjX8NJL5bTwCHAQjz9+KfBddu/+PvPm\nncvYsYcklD0m/DuVadM6gZt56qmnOe64ExLKPgi8m2Dfu4PYu/e/iT+jTZsuK5lk85e/fIy77/4e\n7scUXXN/I9u2PVF0fufO5H1p8v/P8wj2zbkZ2Am8BDzLSy/9tqDslVf+M/39fwb8L+C/+au/+ouS\niTPTPkvB+0Xce+9C9uzJlc4l8VzPpk1b6O8P9hrasOEcgmf1JQD27MnvD5SWRFU0ANVqp0Z+oZlL\npqxevTrV9p0UYZXmdB+OmUtvb5CeJQg5zieHDNLK5HxCaWaxMR74X27xYD1MtMzBHg92CMxiPYOa\nuYoDJdq9pWV06BsqfkbxmUq+3RkROaNmscMdenzUqCO93MSief9a8lYJra1jYzONYlNjNaHTuRlJ\nNIln8WcmfdFtYBrMm8UqSaJaCVmZz5rlu45mLqIRaG8fR0/PosR08NOmTeGBB4ZXnvjsqqXlMqZN\n62TFiuBX8ymnnBLbFmAtO3fu4ne/O5Lf/OY7HHfcm4DWUO6bKd5dc3F4/iGCnTyn0tJyGcuW9bBh\nw8+KdrRcsODvOO64I9i2bXtRW/391zF69LNFs6mdO58vuId77rmM/v6/DuuuBTYCXybYO+8GglnH\nOEaOvJVJk07ggQdmhOUAFtLeXjybybORYNYUvce1wFXs28fAs7r//k3ATwrK9veTuNVAqe0B+vr6\nIs9/Ou3t45g27UTgPtrbn2DnzvI+M319fWzf/gJBclWAS2lp2QO0MmdONz09izLZjkBbHQyRarVT\nI7/QzCVTSqXYSHPclhuRk+Uvw2pDTHORVkEwQtIOmLnUMsWRWsl+hBM9Le1NzscSj3pKCpfOp73p\nDX+tF/tvkhYXDhYunBzSnd8SYfToYyM7e+buIe8jGjXqyKL2y/08RGdJuXQ8wYzz4EiZgwt2Pi31\nmQuc+4UBE0Ndi1Toi8pm9t0s33Xk0JdyGU5KJQcsNaAP9mXOMiS0WuVSKEuPw5943AzW2vraiMIo\nND0VD57tns+BFs8GXZi9oNA8lKSIomHXB3uwG2dyOHHaFsxJ9xs3Hwb32+15M2FuW+zl4T0U7/kT\nX7+S9j9IVr45RRbfR2im5xR33MGf1kd8v5/4osqhReeVl127HJrluy7lIuUyrJSSsxoFkeVitsES\nGA6m6JJk6ejo9LFjOwaSXwa+kzFF5XJRSsXRV9E2g9lAS0t70cBf2Hd8sG0PB/yxHmSDnhm+phTM\nWOL+i1Ir+ePPKbfgdPny5RHZo8rwsFCu5GzUUT9RV9fMgvVOpWYb+dlf0vn0z0Nc/mCm2VMkV/ra\noFkOJw48v/TPQeH/otofP82AlIuUy7AymJxDNW1lrVzSZClHARbL0uNjx3Yk/GIe/Ndsvr/iHTGj\n60fSQ4F7fMSIcR6Y4WZ62s6dXV0zw/U7+ZlMdK1Oktlt+fLliWG8uXsNrqXt7VMcgBCY92YVLaCN\nB3h0dc1MWfiavo9QOdsZTJw4NZxRRvf/KVY2ScEOSfnjyvkcVPP5bHSkXKRcKqYa30at5MzaLJZG\nOUqs2Cx2SJFc5UZNRc1THR2dBQNtVAmW8kEUL0LtLhicgwF1rCf7hoL7LV4P0xPWSVYS+b6L/TqB\nL6hwEIexbjYqVHDps7noc21pGeddXbMGfCLxmU5b2+EDprByPgtTprwtrJv3BXV0TE1YeHpy6nMq\nnHnNiviZslu9L+UyfIP/PIIFBY8BS1LKXBNe3wR0hecmAN8HHiYI2bkkpW5Gj7q2DNcHrtpBfKhy\nlhuSWutQz3JnSIM5cgtnJPnUMvE2Sj3rJUuWpC5cLJw9FPaf66s4A0LyL//85mpJJp54KPYYj6a+\n6ejoLFBuQYaDzqJBPOdvSnpeY8d2lP3sK3W0R8sdd9xkT0ozEy+bbpYrTidTqYIrBymX4VEsI4Bt\nwETgIODnwORYmdOBO8L3bwX+K3x/BHBy+H4U8It4XZdyKaJa81O5cqavz6h9/qZSMla6uryaIIXB\n6ra1xU0zxfnM0tYUJfcR99EcGlEOUbNcXAn1eLAqPsieEDe3ve51J3gwywnW8iSltc/t1FmYGieY\nHY0ePSF1UI/6inLKNOffyuVDiz/n4Nnl1ymZjfWOjqk+YkTU1FacIDNHYf28WSynSKr5fpSDlMvw\nKJe3Ab2R48uBy2NlrgPOjhw/AoxPaOs7wJ8nnM/iOdec/Um5JDmJK9ljo1pKZW5Om22kKYpaBSmk\nRzkVJl8crP8kv0BgojpsYHZTqHxmRAb/wr7jCUbjCUijPpxoBFZc3sCUdKJHN2xrazvcOzo6Y76W\n9oR+CmdSra2HFgUF5E1vyz0/I0vyQ81K/d/kk2nO8sCXNWNghiLlEtDsyuX9wI2R4/OAf46V+S7w\n9sjx3cCbY2UmAk8BoxL6yORB15r9ySxWTnhoPZTLUNfhDNVcV6rd5GdUvCvmYP0X+2uC2UrpfkYl\nmrqig3hwLt03EU9rH5+pFpvHcttOT/HizNNRxRCXNy03XG6jubR6Q0ummaXvL40DSbnUc4W+l1nO\n0uqZ2Sjgm8DH3f3lpMrd3d0D7ydPnkxnZ2eFYtaejRs3Dltfl1xyPuvWXQ/AGWecz65du1izZk1Z\ndcuRc8eOHUXnzB7FPcg31ta2mOnTP1J2n5WSJmOSXDt27GDx4s8VrahfvPhz7NqVz8V1/vnBZ6iS\nZwXpz3r69El873uf4NVXg3Jml+L+EeCqUIapBTKU6r+wj49x0kknFfSzYcPigbxvZpfy/ve/h9e/\n/vWROotYt+4H7N37qYFn0N8Pzz33vxLu6Fna2hYzZ85HOOmkkwD4/ve/z9VX38TevYHsGzYs5qij\njmT37lydPoJ8YVeFx5cCM4GhrW5vbW1h376bgTdEzi4i+G2aK/MJHn10PFOnvp0zznjXgKw54s8l\n95nctWtX6v9s8+bNrFv3g/B8cZvlMpzf9UrYsmULW7duzbbRarXTUF/ADArNYkuJOfUJzGLnRI4H\nzGIEfpo+4NISfWShxGtOs/yaGYpZLMv9W6qRMe1XaTV+lWrIOfRzjvlKzTHVOL/jJPt2isOXkxZk\nDl639GLQtrYxkdX3g5vFghT7OVNrdNb2Wu/qmlV2lFcl/9vhimZsJGhys1gr8DiBWauNwR36M8g7\n9A34KnD1IH1k9KhrS7N84Ibi0K+1Mokz2ELPcte+ZG0iifcdlbPSvrKWLQh0GOdxs1xvb+/A/jiV\nKKZoZFbStgAdHScXmNHym69NcRjpo0cfm+rQz8ubUzCB/+wDH/hASXnKIW7eyyv/WUNuM06zfNeb\nWrkE8vMegkivbcDS8NyFwIWRMteG1zcB08Nz7wD6Q4X0QPial9B+dk+7hjTLB64Z5ByKjEkDWJbO\n3SRlEN+EK+eryGUBKEUtZYNDfeHChQPXy1k4O5jPKr5+pXRQQnn3kqasixVBj48efWxZM7y09UZZ\nZvZuhu+Q+36gXGr9knLJlmaQMysZsxzAk9qKbsJV6Uyk1rLlQovdyzeFlpqplrqe1b3klUs8HLp4\nEWwS6etfAgVVSQh7OXI2OlkoF6XcFyKB+EZWxZugZcfKlTcUBRUkpbEfLtn6+yeV7D/O3LlzB90w\nbLjupb19PIEFfS2BsSO/xcFgzzWdqRx//JH85jdXAPCJT1ysdPtl0FJvAYRoRHI7KM6evZbZs9eW\n3L+jr6+POXO6mTOnm76+vqLrPT2LGDkyt8viKkaOXMIZZ7xrWGQbjJ6eRbS0XDYgW7Ab5Mwhy1Yp\nWd4L5J71rcB84PAK6+X/R3AJcDywira2S9m+/QV27/40u3d/miuv/OfE/7OIUe3Up5FfyCyWKc0g\n53DLWK5JK0uHftakOfTdm+N/7u5FzzMXhZeUmTkNOfTzILOYEPWlXJNW3DQUXa9Sap/54WDZsmWR\n3TmfGPb+syb6rKO7Xg52X/H/0bJlwd85c7pTaohSSLkI0QAM5rcYzv5zZj4IFhwuWLCgbnJVSxbP\ndTj9b/sTUi5CVMH+NvDE94vfsGExp556alPPZKql3jPLZkXKRYgq2N8GnriZb+/eoUZY7V/Ue2bZ\njEi5CFElGniEKEbKRQgxQNzM19a2mJ6eW+srlGhKpFyEEAPEzXzTp39EszIxJKRchBAFRM18tdoa\nQez/aIW+EEKIzJFyEUIIkTlSLkIIITJHykUIIUTmSLkIIYTIHCkXIYQQmSPlIoQQInPqqlzMbJ6Z\nPWJmj5nZkpQy14TXN5lZVyV1hRBC1Ie6KRczGwFcC8wDOoFzzWxyrMzpwAnuPglYBPxbuXWFEELU\nj3rOXN4CbHP3J939FeA24H2xMvMJ9hzF3X8MjDGzI8qsK4QQok7UU7kcDWyPHD8dniunzFFl1BVC\nCFEn6qlcvMxyVlMphBBCZE49E1c+A0yIHE8gmIGUKnNMWOagMuoC0N2d3/968uTJdHZ2Dl3iGrFx\n48Z6i1AWzSBnM8gIkjNrJGd1bNmyha1bt2baZj2Vy33AJDObCDwLnA2cGyuzFrgIuM3MZgAvuvvz\nZrarjLoA3H777bWQPXOaZZ/yZpCzGWQEyZk1kjM7zKo3GNVNubj7PjO7COgDRgA3uftWM7swvH69\nu99hZqeb2Tbg98AFperW506EEELEqet+Lu5+J3Bn7Nz1seOLyq0rhBCiMdAKfSGEEJkj5SKEECJz\npFyEEEJkjpSLEEKIzJFyEUIIkTlSLkIIITJHykUIIUTmSLkIIYTIHCkXIYQQmSPlIoQQInOkXIQQ\nQmSOlIsQQojMkXIRQgiROVIuQgghMkfKRQghROZIuQghhMgcKRchhBCZI+UihBAic6RchBBCZE5d\nlIuZjTWz9Wb2qJndZWZjUsrNM7NHzOwxM1sSOf8lM9tqZpvM7FtmdujwSS+EEGIw6jVzuRxY7+5v\nAO4JjwswsxHAtcA8oBM418wmh5fvAt7k7tOAR4GlwyJ1jdiyZUu9RSiLZpCzGWQEyZk1krPxqJdy\nmQ+sCt+vAv4yocxbgG3u/qS7vwLcBrwPwN3Xu3t/WO7HwDE1lrembN26td4ilEUzyNkMMoLkzBrJ\n2XjUS7mMd/fnw/fPA+MTyhwNbI8cPx2ei/PXwB3ZiieEEKIaWmvVsJmtB45IuLQseuDubmaeUC7p\nXLyPZcBed18zNCmFEELUgpopF3efnXbNzJ43syPc/TkzOxL4dUKxZ4AJkeMJBLOXXBvnA6cDf15K\nDjOrROy6ITmzoxlkBMmZNZKzsaiZchmEtcBC4Ivh3+8klLkPmGRmE4FngbOBcyGIIgM+Ccxy9z+k\ndeLuB8Z/UQghGgxzH9T6lH2nZmOB/wCOBZ4E/srdXzSzo4Ab3f2MsNx7gC8DI4Cb3H1FeP4xoA3Y\nHTb5I3f/2+G9CyGEEGnURbkIIYTYv2n6FfqNvCAzrc9YmWvC65vMrKuSuvWW08wmmNn3zexhM3vI\nzC5pRDkj10aY2QNm9t1GldPMxpjZN8PP5BYzm9Ggci4N/+8PmtkaM3tNPWQ0sxPN7Edm9gcz66mk\nbiPI2WjfoVLPM7xe/nfI3Zv6BfwD8Knw/RLgCwllRgDbgInAQcDPgcnhtdlAS/j+C0n1hyhXap+R\nMqcDd4Tv3wr8V7l1M3x+1ch5BHBy+H4U8ItGlDNy/RPAamBtDT+PVclJsO7rr8P3rcChjSZnWOeX\nwGvC468DC+sk4+HAKcByoKeSug0iZ6N9hxLljFwv+zvU9DMXGndBZmqfSbK7+4+BMWZ2RJl1s2Ko\nco539+fc/efh+ZeBrcBRjSYngJkdQzBYfgWoZaDHkOUMZ83vdPd/D6/tc/ffNpqcwO+AV4CDzawV\nOJggunPYZXT3F9z9vlCeiuo2gpyN9h0q8Twr/g7tD8qlURdkltNnWpmjyqibFUOVs0AJh1F9XQQK\nuhZU8zwBriaIMOyntlTzPI8HXjCzm83sZ2Z2o5kd3GByHu3uu4GVwK8IIjlfdPe76yRjLepWSiZ9\nNch3qBQVfYeaQrmEPpUHE17zo+U8mLc1yoLMciMl6h0uPVQ5B+qZ2Sjgm8DHw19ftWCocpqZvRf4\ntbs/kHA9a6p5nq3AdOBf3X068HsS8u5lxJA/n2bWAVxKYF45ChhlZh/MTrQBqok2Gs5Ipar7arDv\nUBFD+Q7Va51LRXiDLMiskJJ9ppQ5JixzUBl1s2Kocj4DYGYHAbcDt7p70nqlRpCzG5hvZqcDfwIc\nYmZfdfcPN5icBjzt7j8Nz3+T2imXauR8N/BDd98FYGbfAt5OYIsfbhlrUbdSquqrwb5DabydSr9D\ntXAcDeeLwKG/JHx/OckO/VbgcYJfWm0UOvTnAQ8D7RnLldpnpEzUYTqDvMN00LoNIqcBXwWuHob/\n85DljJWZBXy3UeUEfgC8IXz/WeCLjSYncDLwEDAy/AysAv6uHjJGyn6WQkd5Q32HSsjZUN+hNDlj\n18r6DtX0ZobjBYwF7iZIvX8XMCY8fxSwLlLuPQSRGNuApZHzjwFPAQ+Er3/NULaiPoELgQsjZa4N\nr28Cpg8mb42e4ZDkBN5BYH/9eeT5zWs0OWNtzKKG0WIZ/N+nAT8Nz3+LGkWLZSDnpwh+lD1IoFwO\nqoeMBNFW24HfAr8h8AONSqtbr2eZJmejfYdKPc9IG2V9h7SIUgghROY0hUNfCCFEcyHlIoQQInOk\nXIQQQmSOlIsQQojMkXIRQgiROVIuQgghMkfKRQghROZIuQghhMgcKRchqsTMJoYbMN1sZr8ws9Vm\nNsfMNlqwid2fmtlrzezfzezHYcbj+ZG6PzCz+8PX28Lz7zaz/2tm3wg3Dru1vncpRGVohb4QVRKm\nSn+MIOfWFsL0Le7+kVCJXBCe3+Luqy3YLfXHBOnVHeh39z+a2SRgjbv/qZm9G/gO0AnsADYCn3T3\njcN6c0IMkabIiixEE/CEuz8MYGYPE+S7gyDB40SCjMLzzWxxeP41BFlpnwOuNbNpwKvApEibP3H3\nZ8M2fx62I+UimgIpFyGy4Y+R9/3A3sj7VmAfcJa7PxatZGafBXa4+4fMbATwh5Q2X0XfV9FEyOci\nxPDQB1ySOzCzrvDtIQSzF4APE+xzLkTTI+UiRDbEnZcee38FcJCZbTazh4DPhdf+FVgYmr3eCLyc\n0kbSsRANixz6QgghMkczFyGEEJkj5SKEECJzpFyEEEJkjpSLEEKIzJFyEUIIkTlSLkIIITJHykUI\nIUTmSLkIIYTInP8HkW6mvM8NxhcAAAAASUVORK5CYII=\n", + "text/plain": [ + "" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "# Extract the scatter tally data from pandas\n", + "scatter = df[df['score'] == 'scatter']\n", + "\n", + "scatter['rel. err.'] = scatter['std. dev.'] / scatter['mean']\n", + "\n", + "# Show a scatter plot of the mean vs. the std. dev.\n", + "scatter.plot(kind='scatter', x='mean', y='rel. err.', title='Scattering Rates')" + ] + }, + { + "cell_type": "code", + "execution_count": 39, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 39, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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i/Yqok0iKRFYUzGyemU0xs8lmNimqHJIiLT6DHzpHnUIqakMTmAFPT3k66iSS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\nRUFERGJUFEREJEZFQUREYlQUREQk5v8DDXXJy8JrhoYAAAAASUVORK5CYII=\n", + "text/plain": [ + "" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "# Plot a histogram and kernel density estimate for the scattering rates\n", + "scatter['mean'].plot(kind='hist', bins=25)\n", + "scatter['mean'].plot(kind='kde')\n", + "pylab.title('Scattering Rates')\n", + "pylab.xlabel('Mean')\n", + "pylab.legend(['KDE', 'Histogram'])" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 2", + "language": "python", + "name": "python2" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 2 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython2", + "version": "2.7.8" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/docs/source/pythonapi/examples/pandas-dataframes.rst b/docs/source/pythonapi/examples/pandas-dataframes.rst new file mode 100644 index 0000000000..7eacf4d328 --- /dev/null +++ b/docs/source/pythonapi/examples/pandas-dataframes.rst @@ -0,0 +1,11 @@ +================= +Pandas Dataframes +================= + +.. only:: html + + .. notebook:: pandas-dataframes.ipynb + +.. only:: latex + + IPython notebooks must be viewed in the online HTML documentation. diff --git a/docs/source/pythonapi/examples/tally-arithmetic.ipynb b/docs/source/pythonapi/examples/tally-arithmetic.ipynb new file mode 100644 index 0000000000..2b12052046 --- /dev/null +++ b/docs/source/pythonapi/examples/tally-arithmetic.ipynb @@ -0,0 +1,1657 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "This notebook shows the how tallies can be combined (added, subtracted, multiplied, etc.) using the Python API in order to create derived tallies. Since no covariance information is obtained, it is assumed that tallies are completely independent of one another when propagating uncertainties. The target problem is a simple pin cell.\n", + "\n", + "**Note:** that this Notebook was created using the latest Pandas v0.16.1. Everything in the Notebook will wun with older versions of Pandas, but the multi-indexing option in >v0.15.0 makes the tables look prettier." + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "%load_ext autoreload\n", + "%autoreload 2" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "import glob\n", + "from IPython.display import Image\n", + "import numpy as np\n", + "\n", + "import openmc\n", + "from openmc.statepoint import StatePoint\n", + "from openmc.summary import Summary\n", + "\n", + "%matplotlib inline" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Generate Input Files" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "First we need to define materials that will be used in the problem. Before defining a material, we must create nuclides that are used in the material." + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# Instantiate some Nuclides\n", + "h1 = openmc.Nuclide('H-1')\n", + "b10 = openmc.Nuclide('B-10')\n", + "o16 = openmc.Nuclide('O-16')\n", + "u235 = openmc.Nuclide('U-235')\n", + "u238 = openmc.Nuclide('U-238')\n", + "zr90 = openmc.Nuclide('Zr-90')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "With the nuclides we defined, we will now create three materials for the fuel, water, and cladding of the fuel pin." + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# 1.6 enriched fuel\n", + "fuel = openmc.Material(name='1.6% Fuel')\n", + "fuel.set_density('g/cm3', 10.31341)\n", + "fuel.add_nuclide(u235, 3.7503e-4)\n", + "fuel.add_nuclide(u238, 2.2625e-2)\n", + "fuel.add_nuclide(o16, 4.6007e-2)\n", + "\n", + "# borated water\n", + "water = openmc.Material(name='Borated Water')\n", + "water.set_density('g/cm3', 0.740582)\n", + "water.add_nuclide(h1, 4.9457e-2)\n", + "water.add_nuclide(o16, 2.4732e-2)\n", + "water.add_nuclide(b10, 8.0042e-6)\n", + "\n", + "# zircaloy\n", + "zircaloy = openmc.Material(name='Zircaloy')\n", + "zircaloy.set_density('g/cm3', 6.55)\n", + "zircaloy.add_nuclide(zr90, 7.2758e-3)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "With our three materials, we can now create a materials file object that can be exported to an actual XML file." + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Instantiate a MaterialsFile, add Materials\n", + "materials_file = openmc.MaterialsFile()\n", + "materials_file.add_material(fuel)\n", + "materials_file.add_material(water)\n", + "materials_file.add_material(zircaloy)\n", + "materials_file.default_xs = '71c'\n", + "\n", + "# Export to \"materials.xml\"\n", + "materials_file.export_to_xml()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Now let's move on to the geometry. Our problem will have three regions for the fuel, the clad, and the surrounding coolant. The first step is to create the bounding surfaces -- in this case two cylinders and six reflective planes." + ] + }, + { + "cell_type": "code", + "execution_count": 6, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Create cylinders for the fuel and clad\n", + "fuel_outer_radius = openmc.ZCylinder(x0=0.0, y0=0.0, R=0.39218)\n", + "clad_outer_radius = openmc.ZCylinder(x0=0.0, y0=0.0, R=0.45720)\n", + "\n", + "# Create boundary planes to surround the geometry\n", + "# Use both reflective and vacuum boundaries to make life interesting\n", + "min_x = openmc.XPlane(x0=-0.63, boundary_type='reflective')\n", + "max_x = openmc.XPlane(x0=+0.63, boundary_type='reflective')\n", + "min_y = openmc.YPlane(y0=-0.63, boundary_type='reflective')\n", + "max_y = openmc.YPlane(y0=+0.63, boundary_type='reflective')\n", + "min_z = openmc.ZPlane(z0=-0.63, boundary_type='reflective')\n", + "max_z = openmc.ZPlane(z0=+0.63, boundary_type='reflective')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "With the surfaces defined, we can now create cells that are defined by intersections of half-spaces created by the surfaces." + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Create a Universe to encapsulate a fuel pin\n", + "pin_cell_universe = openmc.Universe(name='1.6% Fuel Pin')\n", + "\n", + "# Create fuel Cell\n", + "fuel_cell = openmc.Cell(name='1.6% Fuel')\n", + "fuel_cell.fill = fuel\n", + "fuel_cell.add_surface(fuel_outer_radius, halfspace=-1)\n", + "pin_cell_universe.add_cell(fuel_cell)\n", + "\n", + "# Create a clad Cell\n", + "clad_cell = openmc.Cell(name='1.6% Clad')\n", + "clad_cell.fill = zircaloy\n", + "clad_cell.add_surface(fuel_outer_radius, halfspace=+1)\n", + "clad_cell.add_surface(clad_outer_radius, halfspace=-1)\n", + "pin_cell_universe.add_cell(clad_cell)\n", + "\n", + "# Create a moderator Cell\n", + "moderator_cell = openmc.Cell(name='1.6% Moderator')\n", + "moderator_cell.fill = water\n", + "moderator_cell.add_surface(clad_outer_radius, halfspace=+1)\n", + "pin_cell_universe.add_cell(moderator_cell)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "OpenMC requires that there is a \"root\" universe. Let us create a root cell that is filled by the pin cell universe and then assign it to the root universe." + ] + }, + { + "cell_type": "code", + "execution_count": 8, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Create root Cell\n", + "root_cell = openmc.Cell(name='root cell')\n", + "root_cell.fill = pin_cell_universe\n", + "\n", + "# Add boundary planes\n", + "root_cell.add_surface(min_x, halfspace=+1)\n", + "root_cell.add_surface(max_x, halfspace=-1)\n", + "root_cell.add_surface(min_y, halfspace=+1)\n", + "root_cell.add_surface(max_y, halfspace=-1)\n", + "root_cell.add_surface(min_z, halfspace=+1)\n", + "root_cell.add_surface(max_z, halfspace=-1)\n", + "\n", + "# Create root Universe\n", + "root_universe = openmc.Universe(universe_id=0, name='root universe')\n", + "root_universe.add_cell(root_cell)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "We now must create a geometry that is assigned a root universe, put the geometry into a geometry file, and export it to XML." + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Create Geometry and set root Universe\n", + "geometry = openmc.Geometry()\n", + "geometry.root_universe = root_universe" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Instantiate a GeometryFile\n", + "geometry_file = openmc.GeometryFile()\n", + "geometry_file.geometry = geometry\n", + "\n", + "# Export to \"geometry.xml\"\n", + "geometry_file.export_to_xml()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "With the geometry and materials finished, we now just need to define simulation parameters. In this case, we will use 5 inactive batches and 15 active batches each with 2500 particles." + ] + }, + { + "cell_type": "code", + "execution_count": 11, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# OpenMC simulation parameters\n", + "batches = 20\n", + "inactive = 5\n", + "particles = 2500\n", + "\n", + "# Instantiate a SettingsFile\n", + "settings_file = openmc.SettingsFile()\n", + "settings_file.batches = batches\n", + "settings_file.inactive = inactive\n", + "settings_file.particles = particles\n", + "settings_file.output = {'tallies': True, 'summary': True}\n", + "source_bounds = [-0.63, -0.63, -0.63, 0.63, 0.63, 0.63]\n", + "settings_file.set_source_space('box', source_bounds)\n", + "\n", + "# Export to \"settings.xml\"\n", + "settings_file.export_to_xml()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Let us also create a plot file that we can use to verify that our pin cell geometry was created successfully." + ] + }, + { + "cell_type": "code", + "execution_count": 12, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Instantiate a Plot\n", + "plot = openmc.Plot(plot_id=1)\n", + "plot.filename = 'materials-xy'\n", + "plot.origin = [0, 0, 0]\n", + "plot.width = [1.26, 1.26]\n", + "plot.pixels = [250, 250]\n", + "plot.color = 'mat'\n", + "\n", + "# Instantiate a PlotsFile, add Plot, and export to \"plots.xml\"\n", + "plot_file = openmc.PlotsFile()\n", + "plot_file.add_plot(plot)\n", + "plot_file.export_to_xml()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "With the plots.xml file, we can now generate and view the plot. OpenMC outputs plots in .ppm format, which can be converted into a compressed format like .png with the convert utility." + ] + }, + { + "cell_type": "code", + "execution_count": 13, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Run openmc in plotting mode\n", + "executor = openmc.Executor()\n", + "executor.plot_geometry(output=False)" + ] + }, + { + "cell_type": "code", + "execution_count": 14, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "image/png": "iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6AgMAAAD1grKuAAAABGdBTUEAALGPC/xhBQAAAAFzUkdC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\nVDE2OjQzOjEzKzA3OjAwHAywQgAAAABJRU5ErkJggg==\n", + "text/plain": [ + "" + ] + }, + "execution_count": 14, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Convert OpenMC's funky ppm to png\n", + "!convert materials-xy.ppm materials-xy.png\n", + "\n", + "# Display the materials plot inline\n", + "Image(filename='materials-xy.png')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "As we can see from the plot, we have a nice pin cell with fuel, cladding, and water! Before we run our simulation, we need to tell the code what we want to tally. The following code shows how to create a variety of tallies." + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# Instantiate an empty TalliesFile\n", + "tallies_file = openmc.TalliesFile()\n", + "tallies_file.tallies = []" + ] + }, + { + "cell_type": "code", + "execution_count": 16, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Create Tallies to compute microscopic multi-group cross-sections\n", + "\n", + "# Instantiate energy filter for multi-group cross-section Tallies\n", + "energy_filter = openmc.Filter(type='energy', bins=[0., 0.625e-6, 20.])\n", + "\n", + "# Instantiate flux Tally in moderator and fuel\n", + "tally = openmc.Tally(name='flux')\n", + "tally.add_filter(openmc.Filter(type='cell', bins=[fuel_cell.id, moderator_cell.id]))\n", + "tally.add_filter(energy_filter)\n", + "tally.add_score('flux')\n", + "tallies_file.add_tally(tally)\n", + "\n", + "# Instantiate reaction rate Tally in fuel\n", + "tally = openmc.Tally(name='fuel rxn rates')\n", + "tally.add_filter(openmc.Filter(type='cell', bins=[fuel_cell.id]))\n", + "tally.add_filter(energy_filter)\n", + "tally.add_score('nu-fission')\n", + "tally.add_score('scatter')\n", + "tally.add_nuclide(u238)\n", + "tally.add_nuclide(u235)\n", + "tallies_file.add_tally(tally)\n", + "\n", + "# Instantiate reaction rate Tally in moderator\n", + "tally = openmc.Tally(name='moderator rxn rates')\n", + "tally.add_filter(openmc.Filter(type='cell', bins=[moderator_cell.id]))\n", + "tally.add_filter(energy_filter)\n", + "tally.add_score('absorption')\n", + "tally.add_score('total')\n", + "tally.add_nuclide(o16)\n", + "tally.add_nuclide(h1)\n", + "tallies_file.add_tally(tally)" + ] + }, + { + "cell_type": "code", + "execution_count": 17, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# K-Eigenvalue (infinity) tallies\n", + "fiss_rate = openmc.Tally(name='fiss. rate')\n", + "abs_rate = openmc.Tally(name='abs. rate')\n", + "fiss_rate.add_score('nu-fission')\n", + "abs_rate.add_score('absorption')\n", + "tallies_file.add_tally(fiss_rate)\n", + "tallies_file.add_tally(abs_rate)" + ] + }, + { + "cell_type": "code", + "execution_count": 18, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Resonance Escape Probability tallies\n", + "therm_abs_rate = openmc.Tally(name='therm. abs. rate')\n", + "therm_abs_rate.add_score('absorption')\n", + "therm_abs_rate.add_filter(openmc.Filter(type='energy', bins=[0., 0.625]))\n", + "tallies_file.add_tally(therm_abs_rate)" + ] + }, + { + "cell_type": "code", + "execution_count": 19, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "# Thermal Flux Utilization tallies\n", + "fuel_therm_abs_rate = openmc.Tally(name='fuel therm. abs. rate')\n", + "fuel_therm_abs_rate.add_score('absorption')\n", + "fuel_therm_abs_rate.add_filter(openmc.Filter(type='energy', bins=[0., 0.625]))\n", + "fuel_therm_abs_rate.add_filter(openmc.Filter(type='cell', bins=[fuel_cell.id]))\n", + "tallies_file.add_tally(fuel_therm_abs_rate)" + ] + }, + { + "cell_type": "code", + "execution_count": 20, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# Fast Fission Factor tallies\n", + "therm_fiss_rate = openmc.Tally(name='therm. fiss. rate')\n", + "therm_fiss_rate.add_score('nu-fission')\n", + "therm_fiss_rate.add_filter(openmc.Filter(type='energy', bins=[0., 0.625]))\n", + "tallies_file.add_tally(therm_fiss_rate)" + ] + }, + { + "cell_type": "code", + "execution_count": 21, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# Instantiate energy filter to illustrate Tally slicing\n", + "energy_filter = openmc.Filter(type='energy', bins=np.logspace(np.log10(1e-8), np.log10(20), 10))\n", + "\n", + "# Instantiate flux Tally in moderator and fuel\n", + "tally = openmc.Tally(name='need-to-slice')\n", + "tally.add_filter(openmc.Filter(type='cell', bins=[fuel_cell.id, moderator_cell.id]))\n", + "tally.add_filter(energy_filter)\n", + "tally.add_score('nu-fission')\n", + "tally.add_score('scatter')\n", + "tally.add_nuclide(h1)\n", + "tally.add_nuclide(u238)\n", + "tallies_file.add_tally(tally)" + ] + }, + { + "cell_type": "code", + "execution_count": 22, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "# Export to \"tallies.xml\"\n", + "tallies_file.export_to_xml()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Now we a have a complete set of inputs, so we can go ahead and run our simulation." + ] + }, + { + "cell_type": "code", + "execution_count": 23, + "metadata": { + "collapsed": false, + "scrolled": true + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "\n", + " .d88888b. 888b d888 .d8888b.\n", + " d88P\" \"Y88b 8888b d8888 d88P Y88b\n", + " 888 888 88888b.d88888 888 888\n", + " 888 888 88888b. .d88b. 88888b. 888Y88888P888 888 \n", + " 888 888 888 \"88b d8P Y8b 888 \"88b 888 Y888P 888 888 \n", + " 888 888 888 888 88888888 888 888 888 Y8P 888 888 888\n", + " Y88b. .d88P 888 d88P Y8b. 888 888 888 \" 888 Y88b d88P\n", + " \"Y88888P\" 88888P\" \"Y8888 888 888 888 888 \"Y8888P\"\n", + "__________________888______________________________________________________\n", + " 888\n", + " 888\n", + "\n", + " Copyright: 2011-2015 Massachusetts Institute of Technology\n", + " License: http://mit-crpg.github.io/openmc/license.html\n", + " Version: 0.7.0\n", + " Date/Time: 2015-08-15 10:52:49\n", + "\n", + " ===========================================================================\n", + " ========================> INITIALIZATION <=========================\n", + " ===========================================================================\n", + "\n", + " Reading settings XML file...\n", + " Reading cross sections XML file...\n", + " Reading geometry XML file...\n", + " Reading materials XML file...\n", + " Reading tallies XML file...\n", + " Building neighboring cells lists for each surface...\n", + " Loading ACE cross section table: 92238.71c\n", + " Loading ACE cross section table: 8016.71c\n", + " Loading ACE cross section table: 92235.71c\n", + " Loading ACE cross section table: 5010.71c\n", + " Loading ACE cross section table: 1001.71c\n", + " Loading ACE cross section table: 40090.71c\n", + " Initializing source particles...\n", + "\n", + " ===========================================================================\n", + " ====================> K EIGENVALUE SIMULATION <====================\n", + " ===========================================================================\n", + "\n", + " Bat./Gen. k Average k \n", + " ========= ======== ==================== \n", + " 1/1 1.00465 \n", + " 2/1 1.05814 \n", + " 3/1 1.05114 \n", + " 4/1 1.09189 \n", + " 5/1 1.03731 \n", + " 6/1 1.03510 \n", + " 7/1 1.09378 1.06444 +/- 0.02934\n", + " 8/1 1.04522 1.05803 +/- 0.01811\n", + " 9/1 1.06557 1.05992 +/- 0.01294\n", + " 10/1 1.05757 1.05945 +/- 0.01004\n", + " 11/1 1.04858 1.05764 +/- 0.00839\n", + " 12/1 1.01832 1.05202 +/- 0.00905\n", + " 13/1 1.05822 1.05279 +/- 0.00787\n", + " 14/1 1.07684 1.05547 +/- 0.00744\n", + " 15/1 1.00349 1.05027 +/- 0.00844\n", + " 16/1 1.06969 1.05203 +/- 0.00784\n", + " 17/1 1.06377 1.05301 +/- 0.00722\n", + " 18/1 1.02897 1.05116 +/- 0.00690\n", + " 19/1 1.00685 1.04800 +/- 0.00713\n", + " 20/1 1.02644 1.04656 +/- 0.00679\n", + " Creating state point statepoint.20.h5...\n", + "\n", + " ===========================================================================\n", + " ======================> SIMULATION FINISHED <======================\n", + " ===========================================================================\n", + "\n", + "\n", + " =======================> TIMING STATISTICS <=======================\n", + "\n", + " Total time for initialization = 4.4100E-01 seconds\n", + " Reading cross sections = 1.1300E-01 seconds\n", + " Total time in simulation = 1.8418E+01 seconds\n", + " Time in transport only = 1.8403E+01 seconds\n", + " Time in inactive batches = 2.1070E+00 seconds\n", + " Time in active batches = 1.6311E+01 seconds\n", + " Time synchronizing fission bank = 2.0000E-03 seconds\n", + " Sampling source sites = 2.0000E-03 seconds\n", + " SEND/RECV source sites = 0.0000E+00 seconds\n", + " Time accumulating tallies = 0.0000E+00 seconds\n", + " Total time for finalization = 1.0000E-03 seconds\n", + " Total time elapsed = 1.8861E+01 seconds\n", + " Calculation Rate (inactive) = 5932.61 neutrons/second\n", + " Calculation Rate (active) = 2299.06 neutrons/second\n", + "\n", + " ============================> RESULTS <============================\n", + "\n", + " k-effective (Collision) = 1.04599 +/- 0.00622\n", + " k-effective (Track-length) = 1.04656 +/- 0.00679\n", + " k-effective (Absorption) = 1.04614 +/- 0.00461\n", + " Combined k-effective = 1.04651 +/- 0.00368\n", + " Leakage Fraction = 0.00000 +/- 0.00000\n", + "\n" + ] + }, + { + "data": { + "text/plain": [ + "0" + ] + }, + "execution_count": 23, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Remove old HDF5 (summary, statepoint) files\n", + "!rm statepoint.*\n", + "\n", + "# Run OpenMC with MPI!\n", + "executor.run_simulation()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Tally Data Processing" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Our simulation ran successfully and created a statepoint file with all the tally data in it. We begin our analysis here loading the statepoint file and 'reading' the results. By default, the tally results are not read into memory because they might be large, even large enough to exceed the available memory on a computer." + ] + }, + { + "cell_type": "code", + "execution_count": 24, + "metadata": { + "collapsed": false, + "scrolled": true + }, + "outputs": [], + "source": [ + "# Load the statepoint file\n", + "sp = StatePoint('statepoint.20.h5')\n", + "sp.read_results()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "You may have also noticed we instructed OpenMC to create a summary file with lots of geometry information in it. This can help to produce more sensible output from the Python API, so we will use the summary file to link against." + ] + }, + { + "cell_type": "code", + "execution_count": 25, + "metadata": { + "collapsed": false, + "scrolled": true + }, + "outputs": [], + "source": [ + "# Load the summary file and link with statepoint\n", + "su = Summary('summary.h5')\n", + "sp.link_with_summary(su)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "We have a tally of the total fission rate and the total absorption rate, so we can calculate k-infinity as:\n", + "$$k_\\infty = \\frac{\\langle \\nu \\Sigma_f \\phi \\rangle}{\\langle \\Sigma_a \\phi \\rangle}$$\n", + "In this notation, $\\langle \\cdot \\rangle^a_b$ represents an OpenMC that is integrated over region $a$ and energy range $b$. If $a$ or $b$ is not reported, it means the value represents an integral over all space or all energy, respectively." + ] + }, + { + "cell_type": "code", + "execution_count": 26, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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nuclidescoremeanstd. dev.
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0total(nu-fission / absorption)1.0427260.008661
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" + ], + "text/plain": [ + " nuclide score mean std. dev.\n", + "bin \n", + "0 total (nu-fission / absorption) 1.042726 0.008661" + ] + }, + "execution_count": 26, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Compute k-infinity using tally arithmetic\n", + "fiss_rate = sp.get_tally(name='fiss. rate')\n", + "abs_rate = sp.get_tally(name='abs. rate')\n", + "keff = fiss_rate / abs_rate\n", + "keff.get_pandas_dataframe()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Notice that even though the neutron production rate and absorption rate are separate tallies, we still get a first-order estimate of the uncertainty on the quotient of them automatically!\n", + "\n", + "Often in textbooks you'll see k-infinity represented using the four-factor formula $$k_\\infty = p \\epsilon f \\eta.$$ Let's analyze each of these factors, starting with the resonance escape probability which is defined as $$p=\\frac{\\langle\\Sigma_a\\phi\\rangle_T}{\\langle\\Sigma_a\\phi\\rangle}$$ where the subscript $T$ means thermal energies." + ] + }, + { + "cell_type": "code", + "execution_count": 27, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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nuclidescoremeanstd. dev.
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0totalabsorption0.9588740.007146
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" + ], + "text/plain": [ + " nuclide score mean std. dev.\n", + "bin \n", + "0 total absorption 0.958874 0.007146" + ] + }, + "execution_count": 27, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Compute resonance escape probability using tally arithmetic\n", + "therm_abs_rate = sp.get_tally(name='therm. abs. rate')\n", + "res_esc = therm_abs_rate / abs_rate\n", + "res_esc.get_pandas_dataframe()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "The fast fission factor can be calculated as\n", + "$$\\epsilon=\\frac{\\langle\\nu\\Sigma_f\\phi\\rangle}{\\langle\\nu\\Sigma_f\\phi\\rangle_T}$$" + ] + }, + { + "cell_type": "code", + "execution_count": 28, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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nuclidescoremeanstd. dev.
bin
0totalnu-fission1.091860.010424
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" + ], + "text/plain": [ + " nuclide score mean std. dev.\n", + "bin \n", + "0 total nu-fission 1.09186 0.010424" + ] + }, + "execution_count": 28, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Compute fast fission factor factor using tally arithmetic\n", + "therm_fiss_rate = sp.get_tally(name='therm. fiss. rate')\n", + "fast_fiss = fiss_rate / therm_fiss_rate\n", + "fast_fiss.get_pandas_dataframe()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "The thermal flux utilization is calculated as\n", + "$$f=\\frac{\\langle\\Sigma_a\\phi\\rangle^F_T}{\\langle\\Sigma_a\\phi\\rangle_T}$$\n", + "where the superscript $F$ denotes fuel." + ] + }, + { + "cell_type": "code", + "execution_count": 29, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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energy [MeV]cellnuclidescoremeanstd. dev.
bin
00.0e+00 - 6.2e-0110000totalabsorption0.8029210.006109
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" + ], + "text/plain": [ + " energy [MeV] cell nuclide score mean std. dev.\n", + "bin \n", + "0 0.0e+00 - 6.2e-01 10000 total absorption 0.802921 0.006109" + ] + }, + "execution_count": 29, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Compute thermal flux utilization factor using tally arithmetic\n", + "fuel_therm_abs_rate = sp.get_tally(name='fuel therm. abs. rate')\n", + "therm_util = fuel_therm_abs_rate / therm_abs_rate\n", + "therm_util.get_pandas_dataframe()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "The final factor is the number of fission neutrons produced per absorption in fuel, calculated as $$\\eta = \\frac{\\langle \\nu\\Sigma_f\\phi \\rangle_T}{\\langle \\Sigma_a \\phi \\rangle^F_T}$$" + ] + }, + { + "cell_type": "code", + "execution_count": 30, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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energy [MeV]cellnuclidescoremeanstd. dev.
bin
00.0e+00 - 6.2e-0110000total(nu-fission / absorption)1.2404210.010978
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" + ], + "text/plain": [ + " energy [MeV] cell nuclide score mean \\\n", + "bin \n", + "0 0.0e+00 - 6.2e-01 10000 total (nu-fission / absorption) 1.240421 \n", + "\n", + " std. dev. \n", + "bin \n", + "0 0.010978 " + ] + }, + "execution_count": 30, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# Compute neutrons produced per absorption (eta) using tally arithmetic\n", + "eta = therm_fiss_rate / fuel_therm_abs_rate\n", + "eta.get_pandas_dataframe()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Now we can calculate $k_\\infty$ using the product of the factors form the four-factor formula." + ] + }, + { + "cell_type": "code", + "execution_count": 31, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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nuclidescoremeanstd. dev.
bin
0total(((absorption * nu-fission) * absorption) * (n...1.0427260.017538
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" + ], + "text/plain": [ + " nuclide score mean \\\n", + "bin \n", + "0 total (((absorption * nu-fission) * absorption) * (n... 1.042726 \n", + "\n", + " std. dev. \n", + "bin \n", + "0 0.017538 " + ] + }, + "execution_count": 31, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "keff = res_esc * fast_fiss * therm_util * eta\n", + "keff.get_pandas_dataframe()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "We see that the value we've obtained here has exactly the same mean as before. However, because of the way it was calculated, the standard deviation appears to be larger.\n", + "\n", + "Let's move on to a more complicated example now. Before we set up tallies to get reaction rates in the fuel and moderator in two energy groups for two different nuclides. We can use tally arithmetic to divide each of these reaction rates by the flux to get microscopic multi-group cross sections." + ] + }, + { + "cell_type": "code", + "execution_count": 32, + "metadata": { + "collapsed": false, + "scrolled": true + }, + "outputs": [], + "source": [ + "# Compute microscopic multi-group cross-sections\n", + "flux = sp.get_tally(name='flux')\n", + "flux = flux.get_slice(filters=['cell'], filter_bins=[(fuel_cell.id,)])\n", + "fuel_rxn_rates = sp.get_tally(name='fuel rxn rates')\n", + "mod_rxn_rates = sp.get_tally(name='moderator rxn rates')" + ] + }, + { + "cell_type": "code", + "execution_count": 33, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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cellenergy [MeV]nuclidescoremeanstd. dev.
bin
0100000.0e+00 - 6.3e-07(U-238 / total)(nu-fission / flux)0.0000016.985151e-09
1100000.0e+00 - 6.3e-07(U-238 / total)(scatter / flux)0.2099882.206753e-03
2100000.0e+00 - 6.3e-07(U-235 / total)(nu-fission / flux)0.3552763.741612e-03
3100000.0e+00 - 6.3e-07(U-235 / total)(scatter / flux)0.0055555.842517e-05
4100006.3e-07 - 2.0e+01(U-238 / total)(nu-fission / flux)0.0072295.951357e-05
5100006.3e-07 - 2.0e+01(U-238 / total)(scatter / flux)0.2276429.496469e-04
6100006.3e-07 - 2.0e+01(U-235 / total)(nu-fission / flux)0.0080765.699123e-05
7100006.3e-07 - 2.0e+01(U-235 / total)(scatter / flux)0.0033691.369755e-05
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" + ], + "text/plain": [ + " cell energy [MeV] nuclide score mean \\\n", + "bin \n", + "0 10000 0.0e+00 - 6.3e-07 (U-238 / total) (nu-fission / flux) 0.000001 \n", + "1 10000 0.0e+00 - 6.3e-07 (U-238 / total) (scatter / flux) 0.209988 \n", + "2 10000 0.0e+00 - 6.3e-07 (U-235 / total) (nu-fission / flux) 0.355276 \n", + "3 10000 0.0e+00 - 6.3e-07 (U-235 / total) (scatter / flux) 0.005555 \n", + "4 10000 6.3e-07 - 2.0e+01 (U-238 / total) (nu-fission / flux) 0.007229 \n", + "5 10000 6.3e-07 - 2.0e+01 (U-238 / total) (scatter / flux) 0.227642 \n", + "6 10000 6.3e-07 - 2.0e+01 (U-235 / total) (nu-fission / flux) 0.008076 \n", + "7 10000 6.3e-07 - 2.0e+01 (U-235 / total) (scatter / flux) 0.003369 \n", + "\n", + " std. dev. \n", + "bin \n", + "0 6.985151e-09 \n", + "1 2.206753e-03 \n", + "2 3.741612e-03 \n", + "3 5.842517e-05 \n", + "4 5.951357e-05 \n", + "5 9.496469e-04 \n", + "6 5.699123e-05 \n", + "7 1.369755e-05 " + ] + }, + "execution_count": 33, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "fuel_xs = fuel_rxn_rates / flux\n", + "fuel_xs.get_pandas_dataframe()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "We see that when the two tallies with multiple bins were divided, the derived tally contains the outer product of the combinations. If the filters/scores are the same, no outer product is needed. The `get_values(...)` method allows us to obtain a subset of tally scores. In the following example, we obtain just the neutron production microscopic cross sections." + ] + }, + { + "cell_type": "code", + "execution_count": 34, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "[[[ 6.63809296e-07]\n", + " [ 3.55275544e-01]]\n", + "\n", + " [[ 7.22895528e-03]\n", + " [ 8.07565148e-03]]]\n" + ] + } + ], + "source": [ + "# Show how to use Tally.get_values(...) with a CrossScore\n", + "nu_fiss_xs = fuel_xs.get_values(scores=['(nu-fission / flux)'])\n", + "print(nu_fiss_xs)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "The same idea can be used not only for scores but also for filters and nuclides." + ] + }, + { + "cell_type": "code", + "execution_count": 35, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "[[[ 0.00555505]]\n", + "\n", + " [[ 0.0033688 ]]]\n" + ] + } + ], + "source": [ + "# Show how to use Tally.get_values(...) with a CrossScore and CrossNuclide\n", + "u235_scatter_xs = fuel_xs.get_values(nuclides=['(U-235 / total)'], \n", + " scores=['(scatter / flux)'])\n", + "print(u235_scatter_xs)" + ] + }, + { + "cell_type": "code", + "execution_count": 36, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "[[[ 0.2276418]\n", + " [ 0.0033688]]]\n" + ] + } + ], + "source": [ + "# Show how to use Tally.get_values(...) with a CrossFilter and CrossScore\n", + "fast_scatter_xs = fuel_xs.get_values(filters=['energy'], \n", + " filter_bins=[((0.625e-6, 20.),)], \n", + " scores=['(scatter / flux)'])\n", + "print(fast_scatter_xs)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "A more advanced method is to use `get_slice(...)` to create a new derived tally that is a subset of an existing tally. This has the benefit that we can use `get_pandas_dataframe()` to see the tallies in a more human-readable format." + ] + }, + { + "cell_type": "code", + "execution_count": 37, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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cellenergy [MeV]nuclidescoremeanstd. dev.
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0100000.0e+00 - 6.3e-07U-238nu-fission0.0000021.211808e-08
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" + ], + "text/plain": [ + " cell energy [MeV] nuclide score mean std. dev.\n", + "bin \n", + "0 10000 0.0e+00 - 6.3e-07 U-238 nu-fission 0.000002 1.211808e-08\n", + "1 10000 0.0e+00 - 6.3e-07 U-235 nu-fission 0.870360 6.496431e-03\n", + "2 10000 6.3e-07 - 2.0e+01 U-238 nu-fission 0.083226 6.367951e-04\n", + "3 10000 6.3e-07 - 2.0e+01 U-235 nu-fission 0.092974 5.921990e-04" + ] + }, + "execution_count": 37, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# \"Slice\" the nu-fission data into a new derived Tally\n", + "nu_fission_rates = fuel_rxn_rates.get_slice(scores=['nu-fission'])\n", + "nu_fission_rates.get_pandas_dataframe()" + ] + }, + { + "cell_type": "code", + "execution_count": 38, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "
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" + ], + "text/plain": [ + " cell energy [MeV] nuclide score mean std. dev.\n", + "bin \n", + "0 10002 1.0e-08 - 1.1e-07 H-1 scatter 4.638428 0.034134\n", + "1 10002 1.1e-07 - 1.2e-06 H-1 scatter 2.050818 0.010745\n", + "2 10002 1.2e-06 - 1.3e-05 H-1 scatter 1.656905 0.009480\n", + "3 10002 1.3e-05 - 1.4e-04 H-1 scatter 1.870808 0.011883\n", + "4 10002 1.4e-04 - 1.5e-03 H-1 scatter 2.045621 0.011414\n", + "5 10002 1.5e-03 - 1.6e-02 H-1 scatter 2.163297 0.008725\n", + "6 10002 1.6e-02 - 1.7e-01 H-1 scatter 2.202045 0.013500\n", + "7 10002 1.7e-01 - 1.9e+00 H-1 scatter 1.996977 0.010791\n", + "8 10002 1.9e+00 - 2.0e+01 H-1 scatter 0.370890 0.003597" + ] + }, + "execution_count": 38, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# \"Slice\" the H-1 scatter data in the moderator Cell into a new derived Tally\n", + "need_to_slice = sp.get_tally(name='need-to-slice')\n", + "slice_test = need_to_slice.get_slice(scores=['scatter'], nuclides=['H-1'],\n", + " filters=['cell'], filter_bins=[(moderator_cell.id,)])\n", + "slice_test.get_pandas_dataframe()" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 2", + "language": "python", + "name": "python2" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 2 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython2", + "version": "2.7.8" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/docs/source/pythonapi/examples/tally-arithmetic.rst b/docs/source/pythonapi/examples/tally-arithmetic.rst new file mode 100644 index 0000000000..5f3cf775e1 --- /dev/null +++ b/docs/source/pythonapi/examples/tally-arithmetic.rst @@ -0,0 +1,11 @@ +================ +Tally Arithmetic +================ + +.. only:: html + + .. notebook:: tally-arithmetic.ipynb + +.. only:: latex + + IPython notebooks must be viewed in the online HTML documentation. diff --git a/docs/source/pythonapi/executor.rst b/docs/source/pythonapi/executor.rst new file mode 100644 index 0000000000..ef6693ec9e --- /dev/null +++ b/docs/source/pythonapi/executor.rst @@ -0,0 +1,8 @@ +.. _pythonapi_executor: + +======== +Executor +======== + +.. automodule:: openmc.executor + :members: diff --git a/docs/source/pythonapi/filter.rst b/docs/source/pythonapi/filter.rst new file mode 100644 index 0000000000..f93ba5a158 --- /dev/null +++ b/docs/source/pythonapi/filter.rst @@ -0,0 +1,8 @@ +.. _pythonapi_filter: + +====== +Filter +====== + +.. automodule:: openmc.filter + :members: diff --git a/docs/source/pythonapi/geometry.rst b/docs/source/pythonapi/geometry.rst new file mode 100644 index 0000000000..6b87edb978 --- /dev/null +++ b/docs/source/pythonapi/geometry.rst @@ -0,0 +1,8 @@ +.. _pythonapi_geometry: + +======== +Geometry +======== + +.. automodule:: openmc.geometry + :members: diff --git a/docs/source/pythonapi/index.rst b/docs/source/pythonapi/index.rst new file mode 100644 index 0000000000..8c42f2d7e2 --- /dev/null +++ b/docs/source/pythonapi/index.rst @@ -0,0 +1,71 @@ +.. _pythonapi: + +========== +Python API +========== + +OpenMC includes a rich Python API that enables programmatic pre- and +post-processing. The easiest way to begin using the API is to take a look at the +example Jupyter_ notebooks provided. However, this assumes that you are already +familiar with Python and common third-party packages such as NumPy_. If you have +never programmed in Python before, there are many good tutorials available +online. We recommend going through the modules from Codecademy_ and/or the +`Scipy lectures`_. The full API documentation serves to provide more information +on a given module or class. + +**Handling nuclear data:** + +.. toctree:: + :maxdepth: 1 + + ace + +**Creating input files:** + +.. toctree:: + :maxdepth: 1 + + cmfd + element + filter + geometry + material + mesh + nuclide + opencg_compatible + plots + settings + surface + tallies + trigger + universe + +**Running OpenMC:** + +.. toctree:: + :maxdepth: 1 + + executor + +**Post-processing:** + +.. toctree:: + :maxdepth: 1 + + particle_restart + statepoint + summary + tallies + +**Example Jupyter Notebooks:** + +.. toctree:: + :maxdepth: 1 + + examples/pandas-dataframes + examples/tally-arithmetic + +.. _Jupyter: https://jupyter.org/ +.. _NumPy: http://www.numpy.org/ +.. _Codecademy: https://www.codecademy.com/tracks/python +.. _Scipy lectures: https://scipy-lectures.github.io/ diff --git a/docs/source/pythonapi/material.rst b/docs/source/pythonapi/material.rst new file mode 100644 index 0000000000..16a3af7012 --- /dev/null +++ b/docs/source/pythonapi/material.rst @@ -0,0 +1,8 @@ +.. _pythonapi_material: + +========= +Materials +========= + +.. automodule:: openmc.material + :members: diff --git a/docs/source/pythonapi/mesh.rst b/docs/source/pythonapi/mesh.rst new file mode 100644 index 0000000000..dbecd7c31d --- /dev/null +++ b/docs/source/pythonapi/mesh.rst @@ -0,0 +1,8 @@ +.. _pythonapi_mesh: + +==== +Mesh +==== + +.. automodule:: openmc.mesh + :members: diff --git a/docs/source/pythonapi/nuclide.rst b/docs/source/pythonapi/nuclide.rst new file mode 100644 index 0000000000..9e3214e925 --- /dev/null +++ b/docs/source/pythonapi/nuclide.rst @@ -0,0 +1,8 @@ +.. _pythonapi_nuclide: + +======= +Nuclide +======= + +.. automodule:: openmc.nuclide + :members: diff --git a/docs/source/pythonapi/opencg_compatible.rst b/docs/source/pythonapi/opencg_compatible.rst new file mode 100644 index 0000000000..c807e19cc6 --- /dev/null +++ b/docs/source/pythonapi/opencg_compatible.rst @@ -0,0 +1,8 @@ +.. _pythonapi_opencg_compatible: + +==================== +OpenCG Compatibility +==================== + +.. automodule:: openmc.opencg_compatible + :members: diff --git a/docs/source/pythonapi/particle_restart.rst b/docs/source/pythonapi/particle_restart.rst new file mode 100644 index 0000000000..66ed89988a --- /dev/null +++ b/docs/source/pythonapi/particle_restart.rst @@ -0,0 +1,8 @@ +.. _pythonapi_particle_restart: + +================ +Particle Restart +================ + +.. automodule:: openmc.particle_restart + :members: diff --git a/docs/source/pythonapi/plots.rst b/docs/source/pythonapi/plots.rst new file mode 100644 index 0000000000..8ad5348be3 --- /dev/null +++ b/docs/source/pythonapi/plots.rst @@ -0,0 +1,8 @@ +.. _pythonapi_plots: + +===== +Plots +===== + +.. automodule:: openmc.plots + :members: diff --git a/docs/source/pythonapi/settings.rst b/docs/source/pythonapi/settings.rst new file mode 100644 index 0000000000..3a3915ff50 --- /dev/null +++ b/docs/source/pythonapi/settings.rst @@ -0,0 +1,8 @@ +.. _pythonapi_settings: + +======== +Settings +======== + +.. automodule:: openmc.settings + :members: diff --git a/docs/source/pythonapi/statepoint.rst b/docs/source/pythonapi/statepoint.rst new file mode 100644 index 0000000000..737fc03fca --- /dev/null +++ b/docs/source/pythonapi/statepoint.rst @@ -0,0 +1,8 @@ +.. _pythonapi_statepoint: + +========== +Statepoint +========== + +.. automodule:: openmc.statepoint + :members: diff --git a/docs/source/pythonapi/summary.rst b/docs/source/pythonapi/summary.rst new file mode 100644 index 0000000000..9a791127b4 --- /dev/null +++ b/docs/source/pythonapi/summary.rst @@ -0,0 +1,8 @@ +.. _pythonapi_summary: + +======= +Summary +======= + +.. automodule:: openmc.summary + :members: diff --git a/docs/source/pythonapi/surface.rst b/docs/source/pythonapi/surface.rst new file mode 100644 index 0000000000..cc31f5b3e3 --- /dev/null +++ b/docs/source/pythonapi/surface.rst @@ -0,0 +1,8 @@ +.. _pythonapi_surface: + +======= +Surface +======= + +.. automodule:: openmc.surface + :members: diff --git a/docs/source/pythonapi/tallies.rst b/docs/source/pythonapi/tallies.rst new file mode 100644 index 0000000000..2f24edf3a0 --- /dev/null +++ b/docs/source/pythonapi/tallies.rst @@ -0,0 +1,8 @@ +.. _pythonapi_tallies: + +======= +Tallies +======= + +.. automodule:: openmc.tallies + :members: diff --git a/docs/source/pythonapi/trigger.rst b/docs/source/pythonapi/trigger.rst new file mode 100644 index 0000000000..82567c2cf1 --- /dev/null +++ b/docs/source/pythonapi/trigger.rst @@ -0,0 +1,8 @@ +.. _pythonapi_trigger: + +======= +Trigger +======= + +.. automodule:: openmc.trigger + :members: diff --git a/docs/source/pythonapi/universe.rst b/docs/source/pythonapi/universe.rst new file mode 100644 index 0000000000..fd4a3c1e29 --- /dev/null +++ b/docs/source/pythonapi/universe.rst @@ -0,0 +1,8 @@ +.. _pythonapi_universe: + +======== +Universe +======== + +.. automodule:: openmc.universe + :members: diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst index 3fb9036d39..b64dfebda1 100644 --- a/docs/source/quickinstall.rst +++ b/docs/source/quickinstall.rst @@ -22,14 +22,13 @@ package manager`_. Simply enter the following commands into the terminal: sudo apt-get update sudo apt-get install openmc -Currently, the binary package does not allow for parallel simulations, HDF5_, or -CMFD acceleration through PETSc_. Users who need such capabilities should build -OpenMC from source as is described in :ref:`usersguide_install`. +Currently, the binary package does not allow for parallel simulations or use of +HDF5_. Users who need such capabilities should build OpenMC from source as is +described in :ref:`usersguide_install`. .. _Personal Package Archive: https://launchpad.net/~paulromano/+archive/staging .. _APT package manager: https://help.ubuntu.com/community/AptGet/Howto .. _HDF5: http://www.hdfgroup.org/HDF5/ -.. _PETSc: http://www.mcs.anl.gov/petsc/ ------------------------------------------- Installing from Source on Linux or Mac OS X @@ -41,19 +40,21 @@ the following commands in a terminal: .. code-block:: sh - git clone git://github.com/mit-crpg/openmc.git - cd openmc/src + git clone https://github.com/mit-crpg/openmc.git + cd openmc git checkout -b master origin/master + mkdir build && cd build + cmake .. make sudo make install This will build an executable named ``openmc`` and install it (by default in -/usr/local/bin). If you do not have administrator privileges, the last command -can be replaced with a local install, e.g. +/usr/local/bin). If you do not have administrator privileges, the cmake command +should specify an installation directory where you have write access, e.g. .. code-block:: sh - make install -e prefix=$HOME/.local + cmake -DCMAKE_INSTALL_PREFIX=$HOME/.local .. .. _GitHub: https://github.com/mit-crpg/openmc .. _git: http://git-scm.com diff --git a/docs/source/releasenotes.rst b/docs/source/releasenotes.rst new file mode 100644 index 0000000000..dffc17201f --- /dev/null +++ b/docs/source/releasenotes.rst @@ -0,0 +1,67 @@ +.. _releasenotes: + +============================== +Release Notes for OpenMC 0.7.0 +============================== + +------------------- +System Requirements +------------------- + +There are no special requirements for running the OpenMC code. As of this +release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, +and Microsoft Windows 7. Memory requirements will vary depending on the size of +the problem at hand (mostly on the number of nuclides in the problem). + +------------ +New Features +------------ + +- Complete Python API +- Python 3 compatability for all scripts +- All scripts consistently named openmc-* and installed together +- New 'distribcell' tally filter for repeated cells +- Ability to specify outer lattice universe +- XML input validation utility (openmc-validate-xml) +- Support for hexagonal lattices +- Material union energy grid method +- Tally triggers +- Remove dependence on PETSc +- Significant OpenMP performance improvements +- Support for Fortran 2008 MPI interface +- Use of Travis CI for continuous integration +- Simplifications and improvements to test suite + +--------- +Bug Fixes +--------- + +- b5f712_: Fix bug in spherical harmonics tallies +- e6675b_: Ensure all constants are double precision +- 04e2c1_: Fix potential bug in sample_nuclide routine +- 6121d9_: Fix bugs related to particle track files +- 2f0e89_: Fixes for nuclide specification in tallies + +.. _b5f712: https://github.com/mit-crpg/openmc/commit/b5f712 +.. _e6675b: https://github.com/mit-crpg/openmc/commit/e6675b +.. _04e2c1: https://github.com/mit-crpg/openmc/commit/04e2c1 +.. _6121d9: https://github.com/mit-crpg/openmc/commit/6121d9 +.. _2f0e89: https://github.com/mit-crpg/openmc/commit/2f0e89 + +------------ +Contributors +------------ + +This release contains new contributions from the following people: + +- `Will Boyd `_ +- `Matt Ellis `_ +- `Sterling Harper `_ +- `Bryan Herman `_ +- `Nicholas Horelik `_ +- `Colin Josey `_ +- `William Lyu `_ +- `Adam Nelson `_ +- `Paul Romano `_ +- `Anthony Scopatz `_ +- `Jon Walsh `_ diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst deleted file mode 100644 index 556cf518a5..0000000000 --- a/docs/source/releasenotes/index.rst +++ /dev/null @@ -1,25 +0,0 @@ -.. _releasenotes: - -============= -Release Notes -============= - -The release notes for OpenMC give a list of system requirements, new features, -bugs fixed, and known issues for each successive release. - -.. toctree:: - :maxdepth: 1 - - notes_0.6.2 - notes_0.6.1 - notes_0.6.0 - notes_0.5.4 - notes_0.5.3 - notes_0.5.2 - notes_0.5.1 - notes_0.5.0 - notes_0.4.4 - notes_0.4.3 - notes_0.4.2 - notes_0.4.1 - notes_0.4.0 diff --git a/docs/source/releasenotes/notes_0.4.0.rst b/docs/source/releasenotes/notes_0.4.0.rst deleted file mode 100644 index 3e0a444e35..0000000000 --- a/docs/source/releasenotes/notes_0.4.0.rst +++ /dev/null @@ -1,36 +0,0 @@ -.. _notes_0.4.0: - -============================== -Release Notes for OpenMC 0.4.0 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions as well as -Mac OS X. However, it has not been tested yet on any releases of Microsoft -Windows. Memory requirements will vary depending on the size of the problem at -hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- The probability table method for treatment of energy self-shielding in the - unresolved resonance range has been implemented and is now turned on by - default. -- Calculation of Shannon entropy for assessing convergence of the fission source - distribution. -- Ability to compile with the PGI Fortran compiler. -- Ability to run on IBM BlueGene/P machines. -- Completely rewrote how nested universes are handled. Geometry is now much more - robust. - ---------- -Bug Fixes ---------- - -- Many geometry errors have been fixed. The Monte Carlo performance benchmark - can now be successfully run in OpenMC. diff --git a/docs/source/releasenotes/notes_0.4.1.rst b/docs/source/releasenotes/notes_0.4.1.rst deleted file mode 100644 index 2492f23a98..0000000000 --- a/docs/source/releasenotes/notes_0.4.1.rst +++ /dev/null @@ -1,55 +0,0 @@ -.. _notes_0.4.1: - -============================== -Release Notes for OpenMC 0.4.1 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions as well as -Mac OS X. However, it has not been tested yet on any releases of Microsoft -Windows. Memory requirements will vary depending on the size of the problem at -hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- A batching method has been implemented so that statistics can be calculated - based on multiple generations instead of a single generation. This can help to - overcome problems with underpredicted variance in problems where there is - correlation between successive fission source iterations. -- Users now have the option to select a non-unionized energy grid for problems - with many nuclides where the use of a unionized grid is not feasible. -- Improved plotting capability (Nick Horelik). The plotting input is now in - ``plots.xml`` instead of ``plot.xml``. -- Added multiple estimators for k-effective and added a global tally for - leakage. -- Moved cross section-related output into cross_sections.out. -- Improved timing capabilities. -- Can now use more than 2**31 - 1 particles per generation. -- Improved fission bank synchronization method. This also necessitated changing - the source bank to be of type Bank rather than of type Particle. -- Added HDF5 output (not complete yet). -- Major changes to tally implementation. - ---------- -Bug Fixes ---------- - -- `b206a8`_: Fixed subtle error in the sampling of energy distributions. -- `800742`_: Fixed error in sampling of angle and rotating angles. -- `a07c08`_: Fixed bug in linear-linear interpolation during sampling energy. -- `a75283`_: Fixed energy and energyout tally filters to support many bins. -- `95cfac`_: Fixed error in cell neighbor searches. -- `83a803`_: Fixed bug related to probability tables. - -.. _b206a8: https://github.com/mit-crpg/openmc/commit/b206a8 -.. _800742: https://github.com/mit-crpg/openmc/commit/800742 -.. _a07c08: https://github.com/mit-crpg/openmc/commit/a07c08 -.. _a75283: https://github.com/mit-crpg/openmc/commit/a75283 -.. _95cfac: https://github.com/mit-crpg/openmc/commit/95cfac -.. _83a803: https://github.com/mit-crpg/openmc/commit/83a803 diff --git a/docs/source/releasenotes/notes_0.4.2.rst b/docs/source/releasenotes/notes_0.4.2.rst deleted file mode 100644 index 0ca5287a1c..0000000000 --- a/docs/source/releasenotes/notes_0.4.2.rst +++ /dev/null @@ -1,56 +0,0 @@ -.. _notes_0.4.2: - -============================== -Release Notes for OpenMC 0.4.2 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, -and Microsoft Windows 7. Memory requirements will vary depending on the size of -the problem at hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- Ability to specify void materials. -- Option to not reduce tallies across processors at end of each batch. -- Uniform fission site method for reducing variance on local tallies. -- Reading/writing binary source files. -- Added more messages for or high verbosity. -- Estimator for diffusion coefficient. -- Ability to specify 'point' source type. -- Ability to change random number seed. -- Users can now specify units='sum' on a tag. This tells the code that - the total material density is the sum of the atom fractions listed for each - nuclide on the material. - ---------- -Bug Fixes ---------- - -- a27f8f_: Fixed runtime error bug when using Intel compiler with DEBUG on. -- afe121_: Fixed minor bug in fission bank algorithms. -- e0968e_: Force re-evaluation of cross-sections when each particle is born. -- 298db8_: Fixed bug in surface currents when using energy-in filter. -- 2f3bbe_: Fixed subtle bug in S(a,b) cross section calculation. -- 671f30_: Fixed surface currents on mesh not encompassing geometry. -- b2c40e_: Fixed bug in incoming energy filter for track-length tallies. -- 5524fd_: Mesh filter now works with track-length tallies. -- d050c7_: Added Bessel's correction to make estimate of variance unbiased. -- 2a5b9c_: Fixed regression in plotting. - -.. _a27f8f: https://github.com/mit-crpg/openmc/commit/a27f8f -.. _afe121: https://github.com/mit-crpg/openmc/commit/afe121 -.. _e0968e: https://github.com/mit-crpg/openmc/commit/e0968e -.. _298db8: https://github.com/mit-crpg/openmc/commit/298db8 -.. _2f3bbe: https://github.com/mit-crpg/openmc/commit/2f3bbe -.. _671f30: https://github.com/mit-crpg/openmc/commit/671f30 -.. _b2c40e: https://github.com/mit-crpg/openmc/commit/b2c40e -.. _5524fd: https://github.com/mit-crpg/openmc/commit/5524fd -.. _d050c7: https://github.com/mit-crpg/openmc/commit/d050c7 -.. _2a5b9c: https://github.com/mit-crpg/openmc/commit/2a5b9c diff --git a/docs/source/releasenotes/notes_0.4.3.rst b/docs/source/releasenotes/notes_0.4.3.rst deleted file mode 100644 index fce7a7da37..0000000000 --- a/docs/source/releasenotes/notes_0.4.3.rst +++ /dev/null @@ -1,53 +0,0 @@ -.. _notes_0.4.3: - -============================== -Release Notes for OpenMC 0.4.3 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, -and Microsoft Windows 7. Memory requirements will vary depending on the size of -the problem at hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- Option to report confidence intervals for tally results. -- Rotation and translation for filled cells. -- Ability to explicitly specify for tallies. -- Ability to store state points and use them to restart runs. -- Fixed source calculations (no subcritical multiplication however). -- Expanded options for external source distribution. -- Ability to tally reaction rates for individual nuclides within a material. -- Reduced memory usage by removing redundant storage or some cross-sections. -- 3bd35b_: Log-log interpolation for URR probability tables. -- Support to specify labels on tallies (nelsonag_). - ---------- -Bug Fixes ---------- - -- 33f29a_: Handle negative values in probability table. -- 1c472d_: Fixed survival biasing with probability tables. -- 3c6e80_: Fixed writing tallies with no filters. -- 460ef1_: Invalid results for duplicate tallies. -- 0069d5_: Fixed bug with 0 inactive batches. -- 7af2cf_: Fixed bug in score_analog_tallies. -- 85a60e_: Pick closest angular distribution for law 61. -- 3212f5_: Fixed issue with blank line at beginning of XML files. - -.. _nelsonag: https://github.com/nelsonag -.. _33f29a: https://github.com/mit-crpg/openmc/commit/33f29a -.. _1c472d: https://github.com/mit-crpg/openmc/commit/1c472d -.. _3c6e80: https://github.com/mit-crpg/openmc/commit/3c6e80 -.. _3bd35b: https://github.com/mit-crpg/openmc/commit/3bd35b -.. _0069d5: https://github.com/mit-crpg/openmc/commit/0069d5 -.. _7af2cf: https://github.com/mit-crpg/openmc/commit/7af2cf -.. _460ef1: https://github.com/mit-crpg/openmc/commit/460ef1 -.. _85a60e: https://github.com/mit-crpg/openmc/commit/85a60e -.. _3212f5: https://github.com/mit-crpg/openmc/commit/3212f5 diff --git a/docs/source/releasenotes/notes_0.4.4.rst b/docs/source/releasenotes/notes_0.4.4.rst deleted file mode 100644 index 55a0c3f6f8..0000000000 --- a/docs/source/releasenotes/notes_0.4.4.rst +++ /dev/null @@ -1,45 +0,0 @@ -.. _notes_0.4.4: - -============================== -Release Notes for OpenMC 0.4.4 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, -and Microsoft Windows 7. Memory requirements will vary depending on the size of -the problem at hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- Ability to write state points when using . -- Real-time XML validation in GNU Emacs with RELAX NG schemata. -- Writing state points every n batches with -- Suppress creation of summary.out and cross_sections.out by default with option - to turn them on with tag in settings.xml file. -- Ability to create HDF5 state points. -- Binary source file is now part of state point file by default. -- Enhanced state point usage and added state point Python scripts. -- Turning confidence intervals on affects k-effective. -- Option to specify for tally meshes. - ---------- -Bug Fixes ---------- - -- 4654ee_: Fixed plotting with void cells. -- 7ee461_: Fixed bug with multi-line input using type='word'. -- 792eb3_: Fixed degrees of freedom for confidence intervals. -- 7fd617_: Fixed bug with restart runs in parallel. -- dc4a8f_: Fixed bug with fixed source restart runs. - -.. _4654ee: https://github.com/mit-crpg/openmc/commit/4654ee -.. _7ee461: https://github.com/mit-crpg/openmc/commit/7ee461 -.. _792eb3: https://github.com/mit-crpg/openmc/commit/792eb3 -.. _7fd617: https://github.com/mit-crpg/openmc/commit/7fd617 -.. _dc4a8f: https://github.com/mit-crpg/openmc/commit/dc4a8f diff --git a/docs/source/releasenotes/notes_0.5.0.rst b/docs/source/releasenotes/notes_0.5.0.rst deleted file mode 100644 index 16be1b063b..0000000000 --- a/docs/source/releasenotes/notes_0.5.0.rst +++ /dev/null @@ -1,52 +0,0 @@ -.. _notes_0.5.0: - -============================== -Release Notes for OpenMC 0.5.0 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, -and Microsoft Windows 7. Memory requirements will vary depending on the size of -the problem at hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- All user input options that formerly accepted "off" or "on" should now be - "false" or "true" (the proper XML schema datatype). -- The element is deprecated and was replaced with . -- Added 'events' score that returns number of events that scored to a tally. -- Restructured tally filter implementation and user input. -- Source convergence acceleration via CMFD (implemented with PETSc). -- Ability to read source files in parallel when number of particles is greater - than that number of source sites. -- Cone surface types. - ---------- -Bug Fixes ---------- - -- 737b90_: Coincident surfaces from separate universes / particle traveling - tangent to a surface. -- a819b4_: Output of surface neighbors in summary.out file. -- b11696_: Reading long attribute lists in XML input. -- 2bd46a_: Search for tallying nuclides when no default_xs specified. -- 7a1f08_: Fix word wrapping when writing messages. -- c0e3ec_: Prevent underflow when compiling with MPI=yes and DEBUG=yes. -- 6f8d9d_: Set default tally labels. -- 6a3a5e_: Fix problem with corner-crossing in lattices. - -.. _737b90: https://github.com/mit-crpg/openmc/commit/737b90 -.. _a819b4: https://github.com/mit-crpg/openmc/commit/a819b4 -.. _b11696: https://github.com/mit-crpg/openmc/commit/b11696 -.. _2bd46a: https://github.com/mit-crpg/openmc/commit/2bd46a -.. _7a1f08: https://github.com/mit-crpg/openmc/commit/7a1f08 -.. _c0e3ec: https://github.com/mit-crpg/openmc/commit/c0e3ec -.. _6f8d9d: https://github.com/mit-crpg/openmc/commit/6f8d9d -.. _6a3a5e: https://github.com/mit-crpg/openmc/commit/6a3a5e - diff --git a/docs/source/releasenotes/notes_0.5.1.rst b/docs/source/releasenotes/notes_0.5.1.rst deleted file mode 100644 index 9ba85d304c..0000000000 --- a/docs/source/releasenotes/notes_0.5.1.rst +++ /dev/null @@ -1,45 +0,0 @@ -.. _notes_0.5.1: - -============================== -Release Notes for OpenMC 0.5.1 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, -and Microsoft Windows 7. Memory requirements will vary depending on the size of -the problem at hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- Absorption and combined estimators for k-effective. -- Natural elements can now be specified in materials using rather than - . -- Support for multiple S(a,b) tables in a single material (e.g. BeO). -- Test suite using Python nosetests. -- Proper install capability with 'make install'. -- Lattices can now be 2 or 3 dimensions. -- New scatter-PN score type. -- New kappa-fission score type. -- Ability to tally any reaction by specifying MT. - ---------- -Bug Fixes ---------- - -- 94103e_: Two checks for outgoing energy filters. -- e77059_: Fix reaction name for MT=849. -- b0fe88_: Fix distance to surface for cones. -- 63bfd2_: Fix tracklength tallies with cell filter and universes. -- 88daf7_: Fix analog tallies with survival biasing. - -.. _94103e: https://github.com/mit-crpg/openmc/commit/94103e -.. _e77059: https://github.com/mit-crpg/openmc/commit/e77059 -.. _b0fe88: https://github.com/mit-crpg/openmc/commit/b0fe88 -.. _63bfd2: https://github.com/mit-crpg/openmc/commit/63bfd2 -.. _88daf7: https://github.com/mit-crpg/openmc/commit/88daf7 diff --git a/docs/source/releasenotes/notes_0.5.2.rst b/docs/source/releasenotes/notes_0.5.2.rst deleted file mode 100644 index d030615db7..0000000000 --- a/docs/source/releasenotes/notes_0.5.2.rst +++ /dev/null @@ -1,57 +0,0 @@ -.. _notes_0.5.2: - -============================== -Release Notes for OpenMC 0.5.2 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, -and Microsoft Windows 7. Memory requirements will vary depending on the size of -the problem at hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- Python script for mesh tally plotting -- Isotopic abundances based on IUPAC 2009 when using -- Particle restart files for debugging -- Code will abort after certain number of lost particles (defaults to 10) -- Region outside lattice can be filled with material (void by default) -- 3D voxel plots -- Full HDF5/PHDF5 support (including support in statepoint.py) -- Cell overlap checking with -g command line flag (or when plotting) - ---------- -Bug Fixes ---------- - -- 7632f3_: Fixed bug in statepoint.py for multiple generations per batch. -- f85ac4_: Fix infinite loop bug in error module. -- 49c36b_: Don't convert surface ids if surface filter is for current tallies. -- 5ccc78_: Fix bug in reassignment of bins for mesh filter. -- b1f52f_: Fixed bug in plot color specification. -- eae7e5_: Fixed many memory leaks. -- 10c1cc_: Minor CMFD fixes. -- afdb50_: Add compatibility for XML comments without whitespace. -- a3c593_: Fixed bug in use of free gas scattering for H-1. -- 3a66e3_: Fixed bug in 2D mesh tally implementation. -- ab0793_: Corrected PETSC_NULL references to their correct types. -- 182ebd_: Use analog estimator with energyout filter. - -.. _7632f3: https://github.com/mit-crpg/openmc/commit/7632f3 -.. _f85ac4: https://github.com/mit-crpg/openmc/commit/f85ac4 -.. _49c36b: https://github.com/mit-crpg/openmc/commit/49c36b -.. _5ccc78: https://github.com/mit-crpg/openmc/commit/5ccc78 -.. _b1f52f: https://github.com/mit-crpg/openmc/commit/b1f52f -.. _eae7e5: https://github.com/mit-crpg/openmc/commit/eae7e5 -.. _10c1cc: https://github.com/mit-crpg/openmc/commit/10c1cc -.. _afdb50: https://github.com/mit-crpg/openmc/commit/afdb50 -.. _a3c593: https://github.com/mit-crpg/openmc/commit/a3c593 -.. _3a66e3: https://github.com/mit-crpg/openmc/commit/3a66e3 -.. _ab0793: https://github.com/mit-crpg/openmc/commit/ab0793 -.. _182ebd: https://github.com/mit-crpg/openmc/commit/182ebd diff --git a/docs/source/releasenotes/notes_0.5.3.rst b/docs/source/releasenotes/notes_0.5.3.rst deleted file mode 100644 index 6d93f9aece..0000000000 --- a/docs/source/releasenotes/notes_0.5.3.rst +++ /dev/null @@ -1,49 +0,0 @@ -.. _notes_0.5.3: - -============================== -Release Notes for OpenMC 0.5.3 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, -and Microsoft Windows 7. Memory requirements will vary depending on the size of -the problem at hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- Output interface enhanced to allow multiple files handles to be opened -- Particle restart file linked to output interface -- Particle restarts and state point restarts are both identified with the -r - command line flag. -- Particle instance no longer global, passed to all physics routines -- Physics routines refactored to rely less on global memory, more arguments - passed in -- CMFD routines refactored and now can compute dominance ratio on the fly -- PETSc 3.4.2 or higher must be used and compiled with fortran datatype support -- Memory leaks fixed except for ones from xml-fortran package -- Test suite enhanced to test output with different compiler options -- Description of OpenMC development workflow added -- OpenMP shared-memory parallelism added -- Special run mode --tallies removed. - ---------- -Bug Fixes ---------- - -- 2b1e8a_: Normalize direction vector after reflecting particle. -- 5853d2_: Set blank default for cross section listing alias. -- e178c7_: Fix infinite loop with words greater than 80 characters in write_message. -- c18a6e_: Check for valid secondary mode on S(a,b) tables. -- 82c456_: Fix bug where last process could have zero particles. - -.. _2b1e8a: https://github.com/mit-crpg/openmc/commit/2b1e8a -.. _5853d2: https://github.com/mit-crpg/openmc/commit/5853d2 -.. _e178c7: https://github.com/mit-crpg/openmc/commit/e178c7 -.. _c18a6e: https://github.com/mit-crpg/openmc/commit/c18a6e -.. _82c456: https://github.com/mit-crpg/openmc/commit/82c456 diff --git a/docs/source/releasenotes/notes_0.5.4.rst b/docs/source/releasenotes/notes_0.5.4.rst deleted file mode 100644 index a69354aa0a..0000000000 --- a/docs/source/releasenotes/notes_0.5.4.rst +++ /dev/null @@ -1,64 +0,0 @@ -.. _notes_0.5.4: - -============================== -Release Notes for OpenMC 0.5.4 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, -and Microsoft Windows 7. Memory requirements will vary depending on the size of -the problem at hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- Source sites outside geometry are resampled -- XML-Fortran backend replaced by FoX XML -- Ability to write particle track files -- Handle lost particles more gracefully (via particle track files) -- Multiple random number generator streams -- Mesh tally plotting utility converted to use Tkinter rather than PyQt -- Script added to download ACE data from NNDC -- Mixed ASCII/binary cross_sections.xml now allowed -- Expanded options for writing source bank -- Re-enabled ability to use source file as starting source -- S(a,b) recalculation avoided when same nuclide and S(a,b) table are accessed - ---------- -Bug Fixes ---------- - -- 32c03c_: Check for valid data in cross_sections.xml -- c71ef5_: Fix bug in statepoint.py -- 8884fb_: Check for all ZAIDs for S(a,b) tables -- b38af0_: Fix XML reading on multiple levels of input -- d28750_: Fix bug in convert_xsdir.py -- cf567c_: ENDF/B-VI data checked for compatibility -- 6b9461_: Fix p_valid sampling inside of sample_energy - -.. _32c03c: https://github.com/mit-crpg/openmc/commit/32c03c -.. _c71ef5: https://github.com/mit-crpg/openmc/commit/c71ef5 -.. _8884fb: https://github.com/mit-crpg/openmc/commit/8884fb -.. _b38af0: https://github.com/mit-crpg/openmc/commit/b38af0 -.. _d28750: https://github.com/mit-crpg/openmc/commit/d28750 -.. _cf567c: https://github.com/mit-crpg/openmc/commit/cf567c -.. _6b9461: https://github.com/mit-crpg/openmc/commit/6b9461 - ------------- -Contributors ------------- - -This release contains new contributions from the following people: - -- `Sterling Harper `_ -- `Bryan Herman `_ -- `Nick Horelik `_ -- `Adam Nelson `_ -- `Paul Romano `_ -- `Tuomas Viitanen `_ -- `Jon Walsh `_ diff --git a/docs/source/releasenotes/notes_0.6.0.rst b/docs/source/releasenotes/notes_0.6.0.rst deleted file mode 100644 index 3f98c461dd..0000000000 --- a/docs/source/releasenotes/notes_0.6.0.rst +++ /dev/null @@ -1,59 +0,0 @@ -.. _notes_0.6.0: - -============================== -Release Notes for OpenMC 0.6.0 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, -and Microsoft Windows 7. Memory requirements will vary depending on the size of -the problem at hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- Legendre and spherical harmonic expansion tally scores -- CMake is now default build system -- Regression test suite based on CTests and NNDC cross sections -- FoX is now a git submodule -- Support for older cross sections (e.g. MCNP 66c) -- Progress bar for plots -- Expanded support for natural elements via in settings.xml - ---------- -Bug Fixes ---------- - -- 41f7ca_: Fixed erroneous results from survival biasing -- 038736_: Fix tallies over void materials -- 46f9e8_: Check for negative values in probability tables -- d1ca35_: Fixed sampling of angular distribution -- 0291c0_: Fixed indexing error in plotting -- d7a7d0_: Fix bug with specifying xs attribute -- 85b3cb_: Fix out-of-bounds error with OpenMP threading - -.. _41f7ca: https://github.com/mit-crpg/openmc/commit/41f7ca -.. _038736: https://github.com/mit-crpg/openmc/commit/038736 -.. _46f9e8: https://github.com/mit-crpg/openmc/commit/46f9e8 -.. _d1ca35: https://github.com/mit-crpg/openmc/commit/d1ca35 -.. _0291c0: https://github.com/mit-crpg/openmc/commit/0291c0 -.. _d7a7d0: https://github.com/mit-crpg/openmc/commit/d7a7d0 -.. _85b3cb: https://github.com/mit-crpg/openmc/commit/85b3cb - ------------- -Contributors ------------- - -This release contains new contributions from the following people: - -- `Sterling Harper `_ -- `Bryan Herman `_ -- `Nick Horelik `_ -- `Adam Nelson `_ -- `Paul Romano `_ -- `Jon Walsh `_ diff --git a/docs/source/releasenotes/notes_0.6.1.rst b/docs/source/releasenotes/notes_0.6.1.rst deleted file mode 100644 index 71852bd174..0000000000 --- a/docs/source/releasenotes/notes_0.6.1.rst +++ /dev/null @@ -1,65 +0,0 @@ -.. _notes_0.6.1: - -============================== -Release Notes for OpenMC 0.6.1 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, -and Microsoft Windows 7. Memory requirements will vary depending on the size of -the problem at hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- Coarse mesh finite difference (CMFD) acceleration no longer requires PETSc -- Statepoint file numbering is now zero-padded -- Python scripts now compatible with Python 2 or 3 -- Ability to run particle restarts in fixed source calculations -- Capability to filter box source by fissionable materials -- Nuclide/element names are now case insensitive in input files -- Improved treatment of resonance scattering for heavy nuclides - ---------- -Bug Fixes ---------- - -- 03e890_: Check for energy-dependent multiplicities in ACE files -- 4439de_: Fix distance-to-surface calculation for general plane surface -- 5808ed_: Account for differences in URR band probabilities at different energies -- 2e60c0_: Allow zero atom/weight percents in materials -- 3e0870_: Don't use PWD environment variable when setting path to input files -- dc4776_: Handle probability table resampling correctly -- 01178b_: Fix metastables nuclides in NNDC cross_sections.xml file -- 62ec43_: Don't read tallies.xml when OpenMC is run in plotting mode -- 2a95ef_: Prevent segmentation fault on "current" score without mesh filter -- 93e482_: Check for negative values in probability tables - -.. _03e890: https://github.com/mit-crpg/openmc/commit/03e890 -.. _4439de: https://github.com/mit-crpg/openmc/commit/4439de -.. _5808ed: https://github.com/mit-crpg/openmc/commit/5808ed -.. _2e60c0: https://github.com/mit-crpg/openmc/commit/2e60c0 -.. _3e0870: https://github.com/mit-crpg/openmc/commit/3e0870 -.. _dc4776: https://github.com/mit-crpg/openmc/commit/dc4776 -.. _01178b: https://github.com/mit-crpg/openmc/commit/01178b -.. _62ec43: https://github.com/mit-crpg/openmc/commit/62ec43 -.. _2a95ef: https://github.com/mit-crpg/openmc/commit/2a95ef -.. _93e482: https://github.com/mit-crpg/openmc/commit/93e482 - ------------- -Contributors ------------- - -This release contains new contributions from the following people: - -- `Sterling Harper `_ -- `Bryan Herman `_ -- `Adam Nelson `_ -- `Paul Romano `_ -- `Jon Walsh `_ -- `Will Boyd `_ diff --git a/docs/source/releasenotes/notes_0.6.2.rst b/docs/source/releasenotes/notes_0.6.2.rst deleted file mode 100644 index eefc493fcf..0000000000 --- a/docs/source/releasenotes/notes_0.6.2.rst +++ /dev/null @@ -1,58 +0,0 @@ -.. _notes_0.6.2: - -============================== -Release Notes for OpenMC 0.6.2 -============================== - -------------------- -System Requirements -------------------- - -There are no special requirements for running the OpenMC code. As of this -release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, -and Microsoft Windows 7. Memory requirements will vary depending on the size of -the problem at hand (mostly on the number of nuclides in the problem). - ------------- -New Features ------------- - -- Meshline plotting capability -- Support for plotting cells/materials on middle universe levels -- Ability to model cells with no surfaces -- Compatibility with PETSc 3.5 -- Compatability with OpenMPI 1.7/1.8 -- Improved overall performance via logarithmic-mapped energy grid search -- Improved multi-threaded performance with atomic operations -- Support for fixed source problems with fissionable materials - ---------- -Bug Fixes ---------- - -- 26fb93_: Fix problem with -t, --track command-line flag -- 2f07c0_: Improved evaporation spectrum algorithm -- e6abb9_: Fix segfault when tallying in a void material -- 291b45_: Handle metastable nuclides in NNDC data and multiplicities in MT=5 data - -.. _26fb93: https://github.com/mit-crpg/openmc/commit/26fb93 -.. _2f07c0: https://github.com/mit-crpg/openmc/commit/2f07c0 -.. _e6abb9: https://github.com/mit-crpg/openmc/commit/e6abb9 -.. _291b45: https://github.com/mit-crpg/openmc/commit/291b45 - ------------- -Contributors ------------- - -This release contains new contributions from the following people: - -- `Will Boyd `_ -- `Matt Ellis `_ -- `Sterling Harper `_ -- `Bryan Herman `_ -- `Nicholas Horelik `_ -- `Anton Leontiev `_ -- `Adam Nelson `_ -- `Paul Romano `_ -- `Jon Walsh `_ -- `John Xia `_ diff --git a/docs/source/usersguide/beginners.rst b/docs/source/usersguide/beginners.rst index 69f44c2ca1..d65ee1f831 100644 --- a/docs/source/usersguide/beginners.rst +++ b/docs/source/usersguide/beginners.rst @@ -146,13 +146,12 @@ and `Volume II`_. You may also find it helpful to review the following terms: .. _constructive solid geometry: http://en.wikipedia.org/wiki/Constructive_solid_geometry .. _git: http://git-scm.com/ .. _git tutorials: http://git-scm.com/documentation -.. _Reactor Concepts Manual: http://web.mit.edu/romano7/www/reactor_concepts.pdf -.. _Volume I: http://www.hss.doe.gov/nuclearsafety/techstds/docs/handbook/h1019v1.pdf -.. _Volume II: http://www.hss.doe.gov/nuclearsafety/techstds/docs/handbook/h1019v2.pdf +.. _Reactor Concepts Manual: http://www.tayloredge.com/periodic/trivia/ReactorConcepts.pdf +.. _Volume I: http://energy.gov/sites/prod/files/2013/06/f2/h1019v1.pdf +.. _Volume II: http://energy.gov/sites/prod/files/2013/06/f2/h1019v2.pdf .. _OpenMC source code: https://github.com/mit-crpg/openmc .. _GitHub: https://github.com/ .. _bug reports: https://github.com/mit-crpg/openmc/issues .. _Neutron cross section: http://en.wikipedia.org/wiki/Neutron_cross_section .. _Effective multiplication factor: http://en.wikipedia.org/wiki/Effective_multiplication_factor .. _Flux: http://en.wikipedia.org/wiki/Neutron_flux - diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index c834bbc92e..93e8236ec1 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -51,6 +51,43 @@ files are called: * ``plots.xml`` * ``cmfd.xml`` +-------------------- +Validating XML Files +-------------------- + +Input files can be checked before executing OpenMC using the +``openmc-validate-xml`` script which is installed alongside the Python API. Two +command line arguments can be set when running ``openmc-validate-xml``: + +* ``-i``, ``--input-path`` - Location of OpenMC input files. + *Default*: current working directory +* ``-r``, ``--relaxng-path`` - Location of OpenMC RelaxNG files. + *Default*: None + +If the RelaxNG path is not set, the script will search for these files because +it expects that the user is either running the script located in the install +directory ``bin`` folder or in ``src/utils``. Once executed, it will match +OpenMC XML files with their RelaxNG schema and check if they are valid. Below +is a table of the messages that will be printed after each file is checked. + +======================== =================================== +Message Description +======================== =================================== +[XML ERROR] Cannot parse XML file. +[NO RELAXNG FOUND] No RelaxNG file found for XML file. +[NOT VALID] XML file does not match RelaxNG. +[VALID] XML file matches RelaxNG. +======================== =================================== + +As an example, if OpenMC is installed in the directory +``/opt/openmc/0.6.2`` and the current working directory is where +OpenMC XML input files are located, they can be validated using +the following command: + +.. code-block:: bash + + /opt/openmc/0.6.2/bin/xml_validate + -------------------------------------- Settings Specification -- settings.xml -------------------------------------- @@ -99,6 +136,8 @@ default. This element has the following attributes/sub-elements: *Default*: 1.0 +.. _eigenvalue: + ```` Element ------------------------ @@ -130,15 +169,47 @@ should be performed. It has the following attributes/sub-elements: *Default*: None + :keff_trigger: + This tag specifies a precision trigger on the combined :math:`k_{eff}`. The + trigger is a convergence criterion on the uncertainty of the estimated + eigenvalue. It has the following attributes/sub-elements: + + :type: + The type of precision trigger. Accepted options are "variance", "std_dev", + and "rel_err". + + :variance: + Variance of the batch mean :math:`\sigma^2` + + :std_dev: + Standard deviation of the batch mean :math:`\sigma` + + :rel_err: + Relative error of the batch mean :math:`\frac{\sigma}{\mu}` + + *Default*: None + + :threshold: + The precision trigger's convergence criterion for the + combined :math:`k_{eff}`. + + *Default*: None + + .. note:: See section on the :ref:`trigger` for more information. + ```` Element ------------------------- The ```` element determines the treatment of the energy grid during -a simulation. The valid options are "nuclide" and "logarithm". Setting this -element to "nuclide" will cause OpenMC to use a nuclide's energy grid when -determining what points to interpolate between for determining cross sections -(i.e. non-unionized energy grid). Setting this element to "logarithm" causes -OpenMC to use a logarithmic mapping technique described in LA-UR-14-24530_. +a simulation. The valid options are "nuclide", "logarithm", and +"material-union". Setting this element to "nuclide" will cause OpenMC to use a +nuclide's energy grid when determining what points to interpolate between for +determining cross sections (i.e. non-unionized energy grid). Setting this +element to "logarithm" causes OpenMC to use a logarithmic mapping technique +described in LA-UR-14-24530_. Setting this element to "material-union" will +cause OpenMC to create energy grids that are unionized material-by-material and +use these grids when determining the energy-cross section pairs to interpolate +cross section values between. *Default*: logarithm @@ -170,8 +241,8 @@ problem. It has the following attributes/sub-elements: ```` Element -------------------------- -The ```` element indicates that a fixed source calculation should be -performed. It has the following attributes/sub-elements: +The ```` element indicates that a fixed source calculation should +be performed. It has the following attributes/sub-elements: :batches: The total number of batches. For fixed source calculations, each batch @@ -252,7 +323,8 @@ out the file and "false" will not. *Default*: true - .. note:: The tally results will always be written to a binary/HDF5 state point file. + .. note:: The tally results will always be written to a binary/HDF5 state + point file. ```` Element ------------------------- @@ -369,24 +441,22 @@ attributes/sub-elements: has the following attributes: :type: - The type of spatial distribution. Valid options are "box" and "point". A - "box" spatial distribution has coordinates sampled uniformly in a - parallelepiped. A "point" spatial distribution has coordinates specified - by a triplet. + + The type of spatial distribution. Valid options are "box", "fission", and + "point". A "box" spatial distribution has coordinates sampled uniformly in + a parallelepiped. A "fission" spatial distribution samples locations from + a "box" distribution but only locations in fissionable materials are + accepted. A "point" spatial distribution has coordinates specified by a + triplet. *Default*: None :parameters: - For a "box" spatial distribution, ``parameters`` should be given as six - real numbers, the first three of which specify the lower-left corner of a - parallelepiped and the last three of which specify the upper-right - corner. Source sites are sampled uniformly through that parallelepiped. - - To filter a "box" spatial distribution by fissionable material, specify - "fission" tag instead of "box". The ``parameters`` should be given as six - real numbers, the first three of which specify the lower-left corner of a - parallelepiped and the last three of which specify the upper-right - corner. Source sites are sampled uniformly through that parallelepiped. + For a "box" or "fission" spatial distribution, ``parameters`` should be + given as six real numbers, the first three of which specify the lower-left + corner of a parallelepiped and the last three of which specify the + upper-right corner. Source sites are sampled uniformly through that + parallelepiped. For a "point" spatial distribution, ``parameters`` should be given as three real numbers which specify the (x,y,z) location of an isotropic @@ -409,7 +479,7 @@ attributes/sub-elements: :parameters: For an "isotropic" angular distribution, ``parameters`` should not be - specified + specified. For a "monodirectional" angular distribution, ``parameters`` should be given as three real numbers which specify the angular cosines with respect @@ -427,7 +497,7 @@ attributes/sub-elements: "watt", and "maxwell". The "monoenergetic" option produces source sites at a single energy. The "watt" option produces source sites whose energy is sampled from a Watt fission spectrum. The "maxwell" option produce source - sites whose energy is sampled from a Maxwell fission spectrum + sites whose energy is sampled from a Maxwell fission spectrum. *Default*: watt @@ -501,8 +571,8 @@ attributes/sub-elements: *Default*: None :separate: - If this element is set to "true", a separate binary source point file will be - written. Otherwise, the source sites will be written in the state point + If this element is set to "true", a separate binary source point file will + be written. Otherwise, the source sites will be written in the state point directly. *Default*: false @@ -533,8 +603,6 @@ survival biasing, otherwise known as implicit capture or absorption. *Default*: false -.. _trace: - ```` Element --------------------- @@ -543,6 +611,8 @@ a simulation. It has no attributes and accepts a positive integer value. *Default*: None (Determined by environment variable :envvar:`OMP_NUM_THREADS`) +.. _trace: + ```` Element ------------------- @@ -557,10 +627,56 @@ integers: the batch number, generation number, and particle number. ```` Element ------------------- -The ```` element specifies particles for which OpenMC will output binary files describing particle position at every step of its transport. This element should be followed by triplets of integers. Each triplet describes one particle. The integers in each triplet specify the batch number, generation number, and particle number, respectively. +The ```` element specifies particles for which OpenMC will output binary +files describing particle position at every step of its transport. This element +should be followed by triplets of integers. Each triplet describes one +particle. The integers in each triplet specify the batch number, generation +number, and particle number, respectively. *Default*: None +.. _trigger: + +```` Element +------------------------- + +OpenMC includes tally precision triggers which allow the user to define +uncertainty thresholds on :math:`k_{eff}` in the ```` subelement of +``settings.xml``, and/or tallies in ``tallies.xml``. When using triggers, +OpenMC will run until it completes as many batches as defined by ````. +At this point, the uncertainties on all tallied values are computed and +compared with their corresponding trigger thresholds. If any triggers have not +been met, OpenMC will continue until either all trigger thresholds have been +satisfied or ```` has been reached. + +The ```` element provides an active "toggle switch" for tally +precision trigger(s), the maximum number of batches and the batch interval. It +has the following attributes/sub-elements: + + :active: + This determines whether or not to use trigger(s). Trigger(s) are used when + this tag is set to "true". + + :max_batches: + This describes the maximum number of batches allowed when using trigger(s). + + .. note:: When max_batches is set, the number of ``batches`` shown in + ```` element represents minimum number of batches to + simulate when using the trigger(s). + + :batch_interval: + This tag describes the number of batches in between convergence checks. + OpenMC will check if the trigger has been reached at each batch defined + by ``batch_interval`` after the minimum number of batches is reached. + + .. note:: If this tag is not present, the ``batch_interval`` is predicted + dynamically by OpenMC for each convergence check. The predictive + model assumes no correlation between fission sources + distributions from batch-to-batch. This assumption is reasonable + for fixed source and small criticality calculations, but is very + optimistic for highly coupled full-core reactor problems. + + ```` Element ------------------------ @@ -664,6 +780,12 @@ Each ```` element can have the following attributes or sub-elements: *Default*: None + :name: + An optional string name to identify the surface in summary output + files. This string is limited to 52 characters for formatting purposes. + + *Default*: "" + :type: The type of the surfaces. This can be "x-plane", "y-plane", "z-plane", "plane", "x-cylinder", "y-cylinder", "z-cylinder", or "sphere". @@ -740,10 +862,16 @@ The following quadratic surfaces can be modeled: Each ```` element can have the following attributes or sub-elements: :id: - A unique integer that can be used to identify the surface. + A unique integer that can be used to identify the cell. *Default*: None + :name: + An optional string name to identify the cell in summary output files. + This string is limmited to 52 characters for formatting purposes. + + *Default*: "" + :universe: The ``id`` of the universe that this cell is contained in. @@ -802,19 +930,18 @@ Each ```` element can have the following attributes or sub-elements: --------------------- The ```` can be used to represent repeating structures (e.g. fuel pins -in an assembly) or other geometry which naturally fits into a two- or -three-dimensional structured mesh. Each cell within the lattice is filled with a -specified universe. A ```` accepts the following attributes or -sub-elements: +in an assembly) or other geometry which fits onto a rectilinear grid. Each cell +within the lattice is filled with a specified universe. A ```` accepts +the following attributes or sub-elements: :id: - A unique integer that can be used to identify the surface. + A unique integer that can be used to identify the lattice. - :type: - A string indicating the arrangement of lattice cells. Currently, the only - accepted option is "rectangular". + :name: + An optional string name to identify the lattice in summary output + files. This string is limited to 52 characters for formatting purposes. - *Default*: rectangular + *Default*: "" :dimension: Two or three integers representing the number of lattice cells in the x- and @@ -828,22 +955,118 @@ sub-elements: *Default*: None - :width: - The width of the lattice cell in the x- and y- (and z-) directions. + :pitch: + If the lattice is 3D, then three real numbers that express the distance + between the centers of lattice cells in the x-, y-, and z- directions. If + the lattice is 2D, then omit the third value. *Default*: None - :outside: - The unique integer identifier of a material that is to be used to fill all - space outside of the lattice. This element is optional. + :outer: + The unique integer identifier of a universe that will be used to fill all + space outside of the lattice. The universe will be tiled repeatedly as if + it were placed in a lattice of infinite size. This element is optional. - *Default*: The region outside the defined lattice is treated as void. + *Default*: An error will be raised if a particle leaves a lattice with no + outer universe. :universes: A list of the universe numbers that fill each cell of the lattice. *Default*: None +Here is an example of a properly defined 2d rectangular lattice: + +.. code-block:: xml + + + -1.5 -1.5 + 1.0 1.0 + + 2 2 2 + 2 1 2 + 2 2 2 + + + +```` Element +------------------------- + +The ```` can be used to represent repeating structures (e.g. fuel +pins in an assembly) or other geometry which naturally fits onto a hexagonal +grid or hexagonal prism grid. Each cell within the lattice is filled with a +specified universe. This lattice uses the "flat-topped hexagon" scheme where two +of the six edges are perpendicular to the y-axis. A ```` accepts +the following attributes or sub-elements: + + :id: + A unique integer that can be used to identify the lattice. + + :name: + An optional string name to identify the hex_lattice in summary output + files. This string is limited to 52 characters for formatting purposes. + + *Default*: "" + + :n_rings: + An integer representing the number of radial ring positions in the xy-plane. + Note that this number includes the degenerate center ring which only has one + element. + + *Default*: None + + :n_axial: + An integer representing the number of positions along the z-axis. This + element is optional. + + *Default*: None + + :center: + The coordinates of the center of the lattice. If the lattice does not have + axial sections then only the x- and y-coordinates are specified. + + *Default*: None + + :pitch: + If the lattice is 3D, then two real numbers that express the distance + between the centers of lattice cells in the xy-plane and along the z-axis, + respectively. If the lattice is 2D, then omit the second value. + + *Default*: None + + :outer: + The unique integer identifier of a universe that will be used to fill all + space outside of the lattice. The universe will be tiled repeatedly as if + it were placed in a lattice of infinite size. This element is optional. + + *Default*: An error will be raised if a particle leaves a lattice with no + outer universe. + + :universes: + A list of the universe numbers that fill each cell of the lattice. + + *Default*: None + +Here is an example of a properly defined 2d hexagonal lattice: + +.. code-block:: xml + + +
0.0 0.0
+ 1.0 + + 202 + 202 202 + 202 202 202 + 202 202 + 202 101 202 + 202 202 + 202 202 202 + 202 202 + 202 + + + .. _constructive solid geometry: http://en.wikipedia.org/wiki/Constructive_solid_geometry .. _quadratic surfaces: http://en.wikipedia.org/wiki/Quadric @@ -862,6 +1085,12 @@ Each ``material`` element can have the following attributes or sub-elements: :id: A unique integer that can be used to identify the material. + :name: + An optional string name to identify the material in summary output + files. This string is limited to 52 characters for formatting purposes. + + *Default*: "" + :density: An element with attributes/sub-elements called ``value`` and ``units``. The ``value`` attribute is the numeric value of the density while the ``units`` @@ -959,15 +1188,18 @@ post-collision energy, and an arbitrary structured mesh. The three valid elements in the tallies.xml file are ````, ````, and ````. +.. _tally: + ```` Element ------------------- The ```` element accepts the following sub-elements: - :label: - This is an optional sub-element specifying the name of this tally to be used - for output purposes. This string is limited to 52 characters for formatting - purposes. + :name: + An optional string name to identify the tally in summary output + files. This string is limited to 52 characters for formatting purposes. + + *Default*: "" :filter: Specify a filter that restricts contributions to the tally to particles @@ -981,11 +1213,13 @@ The ```` element accepts the following sub-elements: The ``filter`` element has the following attributes/sub-elements: :type: - The type of the filter. Accepted options are "cell", "cellborn", "material", - "universe", "energy", "energyout", and "mesh". + The type of the filter. Accepted options are "cell", "cellborn", + "material", "universe", "energy", "energyout", "mesh", and + "distribcell". :bins: - For each filter type, the corresponding ``bins`` entry is given as follows: + For each filter type, the corresponding ``bins`` entry is given as + follows: :cell: A list of cells in which the tally should be accumulated. @@ -1020,6 +1254,15 @@ The ```` element accepts the following sub-elements: :mesh: The ``id`` of a structured mesh to be tallied over. + :distribcell: + The single cell which should be tallied uniquely for all instances. + + .. note:: + The distribcell filter will take a single cell ID and will tally + each unique occurrence of that cell separately. This filter will + not accept more than one cell ID. It is not recommended to combine + this filter with a cell or mesh filter. + :nuclides: If specified, the scores listed will be for particular nuclides, not the summation of reactions from all nuclides. The format for nuclides should be @@ -1053,24 +1296,25 @@ The ```` element accepts the following sub-elements: physical quantities: :flux: - Total flux + Total flux in particle-cm per source particle. :total: - Total reaction rate + Total reaction rate in reactions per source particle. :scatter: Total scattering rate. Can also be identified with the ``scatter-0`` - response type. + response type. Units are reactions per source particle. :absorption: Total absorption rate. This accounts for all reactions which do not - produce secondary neutrons. + produce secondary neutrons. Units are reactions per source particle. :fission: - Total fission rate + Total fission rate in reactions per source particle. :nu-fission: - Total production of neutrons due to fission + Total production of neutrons due to fission. Units are neutrons produced + per source neutron. :kappa-fission: The recoverable energy production rate due to fission. The recoverable @@ -1079,51 +1323,55 @@ The ```` element accepts the following sub-elements: total energies, and the total energy released by the delayed :math:`\beta` particles. The neutrino energy does not contribute to this response. The prompt and delayed :math:`\gamma`-rays are assumed to deposit their energy - locally. + locally. Units are MeV per source particle. :scatter-N: Tally the N\ :sup:`th` \ scattering moment, where N is the Legendre expansion order of the change in particle angle :math:`\left(\mu\right)`. - N must be between 0 and 10. As an example, tallying the - 2\ :sup:`nd` \ scattering moment would be specified as - `` scatter-2 ``. + N must be between 0 and 10. As an example, tallying the 2\ :sup:`nd` \ + scattering moment would be specified as `` scatter-2 + ``. Units are reactions per source particle. :scatter-PN: Tally all of the scattering moments from order 0 to N, where N is the - Legendre expansion order of the change in particle angle :math:`\left(\mu\right)`. - That is, ``scatter-P1`` is equivalent to requesting tallies of - ``scatter-0`` and ``scatter-1``. Like for ``scatter-N``, - N must be between 0 and 10. As an example, tallying up to the - 2\ :sup:`nd` \ scattering moment would be specified as - `` scatter-P2 ``. + Legendre expansion order of the change in particle angle + :math:`\left(\mu\right)`. That is, ``scatter-P1`` is equivalent to + requesting tallies of ``scatter-0`` and ``scatter-1``. Like for + ``scatter-N``, N must be between 0 and 10. As an example, tallying up to + the 2\ :sup:`nd` \ scattering moment would be specified as `` + scatter-P2 ``. Units are reactions per source particle. :scatter-YN: - ``scatter-YN`` is similar to ``scatter-PN`` except an additional - expansion is performed for the incoming particle direction - :math:`\left(\Omega\right)` using the real spherical harmonics. This is useful - for performing angular flux moment weighting of the scattering moments. - Like ``scatter-PN``, ``scatter-YN`` will tally all of the moments from - order 0 to N; N again must be between 0 and 10. + ``scatter-YN`` is similar to ``scatter-PN`` except an additional expansion + is performed for the incoming particle direction + :math:`\left(\Omega\right)` using the real spherical harmonics. This is + useful for performing angular flux moment weighting of the scattering + moments. Like ``scatter-PN``, ``scatter-YN`` will tally all of the moments + from order 0 to N; N again must be between 0 and 10. Units are reactions + per source particle. :nu-scatter, nu-scatter-N, nu-scatter-PN, nu-scatter-YN: These scores are similar in functionality to their ``scatter*`` - equivalents except the total production of neutrons due to - scattering is scored vice simply the scattering rate. This accounts for - multiplicity from (n,2n), (n,3n), and (n,4n) reactions. + equivalents except the total production of neutrons due to scattering is + scored vice simply the scattering rate. This accounts for multiplicity + from (n,2n), (n,3n), and (n,4n) reactions. Units are neutrons produced per + source particle. :flux-YN: Spherical harmonic expansion of the direction of motion - :math:`\left(\Omega\right)` of the total flux. This score will tally - all of the harmonic moments of order 0 to N. N must be between 0 and 10. + :math:`\left(\Omega\right)` of the total flux. This score will tally all + of the harmonic moments of order 0 to N. N must be between 0 + and 10. Units are particle-cm per source particle. :total-YN: The total reaction rate expanded via spherical harmonics about the direction of motion of the neutron, :math:`\Omega`. This score will tally all of the harmonic moments of order 0 to N. N must - be between 0 and 10. + be between 0 and 10. Units are reactions per source particle. :current: - Partial currents on the boundaries of each cell in a mesh. + Partial currents on the boundaries of each cell in a mesh. Units are + particles per source particle. .. note:: This score can only be used if a mesh filter has been @@ -1131,7 +1379,41 @@ The ```` element accepts the following sub-elements: other score. :events: - Number of scoring events + Number of scoring events. Units are events per source particle. + + :trigger: + Precision trigger applied to all filter bins and nuclides for this tally. + It must specify the trigger's type, threshold and scores to which it will + be applied. It has the following attributes/sub-elements: + + :type: + The type of the trigger. Accepted options are "variance", "std_dev", + and "rel_err". + + :variance: + Variance of the batch mean :math:`\sigma^2` + + :std_dev: + Standard deviation of the batch mean :math:`\sigma` + + :rel_err: + Relative error of the batch mean :math:`\frac{\sigma}{\mu}` + + *Default*: None + + :threshold: + The precision trigger's convergence criterion for tallied values. + + *Default*: None + + :scores: + The score(s) in this tally to which the trigger should be applied. + + .. note:: The ``scores`` in ``trigger`` must have been defined in + ``scores`` in ``tally``. An optional "all" may be used to + select all scores in this tally. + + *Default*: "all" ```` Element ------------------ @@ -1171,8 +1453,8 @@ overhead. The effect of assuming all tallies are spatially separate is that once one tally is scored to, the same event is assumed not to score to any other tallies. This element should be followed by "true" or "false". - .. warning:: If used incorrectly, the assumption that all tallies are spatially - separate can lead to incorrect results. + .. warning:: If used incorrectly, the assumption that all tallies are + spatially separate can lead to incorrect results. *Default*: false @@ -1188,8 +1470,10 @@ element of the plots.xml is simply ```` and any number output plots can be defined with ```` sub-elements. Two plot types are currently implemented in openMC: -* ``slice`` 2D pixel plot along one of the major axes. Produces a PPM image file. -* ``voxel`` 3D voxel data dump. Produces a binary file containing voxel xyz position and cell or material id. +* ``slice`` 2D pixel plot along one of the major axes. Produces a PPM image + file. +* ``voxel`` 3D voxel data dump. Produces a binary file containing voxel xyz + position and cell or material id. ```` Element @@ -1373,9 +1657,9 @@ attributes or sub-elements. These are not used in "voxel" plots: CMFD Specification -- cmfd.xml ------------------------------ -Coarse mesh finite difference acceleration method has been implemented in OpenMC. -Currently, it allows users to accelerate fission source convergence during -inactive neutron batches. To run CMFD, the ```` element in +Coarse mesh finite difference acceleration method has been implemented in +OpenMC. Currently, it allows users to accelerate fission source convergence +during inactive neutron batches. To run CMFD, the ```` element in ``settings.xml`` should be set to "true". ```` Element @@ -1385,22 +1669,6 @@ The ```` element controls what batch CMFD calculations should begin. *Default*: 1 -```` Element ---------------------- - -The ```` element sets one additional CMFD output column. Options are: - -* "balance" - prints the RMS [%] of the resdiual from the neutron balance equation - on CMFD tallies. -* "dominance" - prints the estimated dominance ratio from the CMFD iterations. - **This will only work for power iteration eigensolver**. -* "entropy" - prints the *entropy* of the CMFD predicted fission source. - **Can only be used if OpenMC entropy is active as well**. -* "source" - prints the RMS [%] between the OpenMC fission source and CMFD - fission source. - - *Default*: balance - ```` Element ------------------------ @@ -1410,6 +1678,22 @@ It can be turned on with "true" and off with "false". *Default*: false +```` Element +--------------------- + +The ```` element sets one additional CMFD output column. Options are: + +* "balance" - prints the RMS [%] of the resdiual from the neutron balance + equation on CMFD tallies. +* "dominance" - prints the estimated dominance ratio from the CMFD iterations. + **This will only work for power iteration eigensolver**. +* "entropy" - prints the *entropy* of the CMFD predicted fission source. + **Can only be used if OpenMC entropy is active as well**. +* "source" - prints the RMS [%] between the OpenMC fission source and CMFD + fission source. + + *Default*: balance + ```` Element ------------------------- @@ -1434,20 +1718,10 @@ It can be turned on with "true" and off with "false". The ```` element specifies two parameters. The first is the absolute inner tolerance for Gauss-Seidel iterations when performing CMFD and the second is the relative inner tolerance for Gauss-Seidel iterations -for CMFD calculations. It is only used in the standalone CMFD power iteration -solver and not when PETSc is active. +for CMFD calculations. *Default*: 1.e-10 1.e-5 -```` Element -------------------------- - -The ```` element is used to view the convergence of linear GMRES -iterations in PETSc. This option can be turned on with "true" and turned off -with "false". - - *Default*: false - ```` Element -------------------- @@ -1463,11 +1737,11 @@ The CMFD mesh is a structured Cartesian mesh. This element has the following attributes/sub-elements: :lower_left: - The lower-left corner of the structured mesh. If only two coordinate are + The lower-left corner of the structured mesh. If only two coordinates are given, it is assumed that the mesh is an x-y mesh. :upper_right: - The upper-right corner of the structrued mesh. If only two coordinate are + The upper-right corner of the structrued mesh. If only two coordinates are given, it is assumed that the mesh is an x-y mesh. :dimension: @@ -1490,7 +1764,7 @@ attributes/sub-elements: :map: An optional acceleration map can be specified to overlay on the coarse - mesh spatial grid. If this option is used a ``1`` is used for a + mesh spatial grid. If this option is used, a ``1`` is used for a non-accelerated region and a ``2`` is used for an accelerated region. For a simple 4x4 coarse mesh with a 2x2 fuel lattice surrounded by reflector, the map is: @@ -1527,8 +1801,8 @@ not impact the calculation. ```` Element --------------------------- -The ```` element is used to view the convergence of power iteration. -This option can be turned on with "true" and turned off with "false". +The ```` element is used to view the convergence of power +iteration. This option can be turned on with "true" and turned off with "false". *Default*: false @@ -1536,26 +1810,16 @@ This option can be turned on with "true" and turned off with "false". ------------------------- The ```` element can be turned on with "true" to have an adjoint -calculation be performed on the last batch when CMFD is active. OpenMC should be -compiled with PETSc when using this option. +calculation be performed on the last batch when CMFD is active. *Default*: false -```` Element --------------------- - -The ```` element controls whether the CMFD eigenproblem is solved with -standard power iteration or nonlinear Jacobian-free Newton Krylov (JFNK). -By setting "power", power iteration is used and by setting "jfnk", JFNK is used. - - *Default*: power - ```` Element -------------------- -The ```` element specifies an optional Wielandt shift parameter for -accelerating power iterations. It can only be used when PETSc is not active. -It is by default very large so the impact of the shift is effectively zero. +The ```` element specifies an optional Wielandt shift parameter for +accelerating power iterations. It is by default very large so the impact of the +shift is effectively zero. *Default*: 1e6 @@ -1564,10 +1828,9 @@ It is by default very large so the impact of the shift is effectively zero. The ```` element specifies an optional spectral radius that can be set to accelerate the convergence of Gauss-Seidel iterations during CMFD power iteration -solve. Note this is only used in the standalone CMFD solver and does not affect -the calculation when PETSc is active. +solve. - *Default*: power + *Default*: 0.0 ```` Element ------------------ @@ -1588,10 +1851,9 @@ should be reset. ```` Element ---------------------------- -The ```` element is used to view the PETSc sparse matrices -created when solving CMFD equations. These binary output files can be imported -into MATLAB using PETSc-MATLAB utilities. This option can be -turned on with "true" and off with "false". +The ```` element is used to write the sparse matrices created +when solving CMFD equations. This option can be turned on with "true" and off +with "false". *Default*: false diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst index 7cb7ac7a45..7d3cda1733 100644 --- a/docs/source/usersguide/install.rst +++ b/docs/source/usersguide/install.rst @@ -86,21 +86,6 @@ Prerequisites You may omit ``--enable-parallel`` if you want to compile HDF5_ in serial. - * PETSc_ for CMFD acceleration - - To enable CMFD acceleration, you will need to have PETSc_ (3.4.2 or higher) - installed on your computer. The installed version will need to have been - compiled with the same compiler you intend to compile OpenMC with. OpenMC - requires PETSc_ to be configured with Fortran datatypes. An example of - configuring PETSc_ is listed below:: - - ./configure --prefix=/opt/petsc/3.4.4 --download-f-blas-lapack \ - --with-mpi-dir=/opt/mpich/3.1 --with-shared-libraries \ - --with-fortran-datatypes - - The BLAS/LAPACK library is not required to be downloaded and can be linked - explicitly (e.g., Intel MKL library). - * git_ version control software for obtaining source code .. _gfortran: http://gcc.gnu.org/wiki/GFortran @@ -108,7 +93,6 @@ Prerequisites .. _OpenMPI: http://www.open-mpi.org .. _MPICH: http://www.mpich.org .. _HDF5: http://www.hdfgroup.org/HDF5/ -.. _PETSc: http://www.mcs.anl.gov/petsc/ Obtaining the Source -------------------- @@ -123,12 +107,12 @@ with GitHub since this involves setting up ssh_ keys. With git installed and setup, the following command will download the full source code from the GitHub repository:: - git clone git://github.com/mit-crpg/openmc.git + git clone https://github.com/mit-crpg/openmc.git By default, the cloned repository will be set to the development branch. To switch to the source of the latest stable release, run the following commands:: - cd openmc/src + cd openmc git checkout master .. _GitHub: https://github.com/mit-crpg/openmc @@ -139,23 +123,22 @@ Build Configuration ------------------- Compiling OpenMC with CMake is carried out in two steps. First, ``cmake`` is run -to determine the compiler, whether optional packages (MPI, HDF5, PETSc) are -available, to generate a list of dependencies between source files so that they -may be compiled in the correct order, and to generate a normal Makefile. The -Makefile is then used by ``make`` to actually carry out the compile and linking +to determine the compiler, whether optional packages (MPI, HDF5) are available, +to generate a list of dependencies between source files so that they may be +compiled in the correct order, and to generate a normal Makefile. The Makefile +is then used by ``make`` to actually carry out the compile and linking commands. A typical out-of-source build would thus look something like the following .. code-block:: sh - mkdir src/build - cd src/build + mkdir build && cd build cmake .. make Note that first a build directory is created as a subdirectory of the source -directory. The Makefile in ``src/`` will automatically perform an out-of-source -build with default options. +directory. The Makefile in the top-level directory will automatically perform an +out-of-source build with default options. CMakeLists.txt Options ++++++++++++++++++++++ @@ -177,16 +160,21 @@ openmp Enables shared-memory parallelism using the OpenMP API. The Fortran compiler being used must support OpenMP. -petsc - Enables PETSc for use in CMFD acceleration. The PETSC_DIR variable should be - set to the base directory of the PETSc installation. +coverage + Compile and link code instrumented for coverage analysis. This is typically + used in conjunction with gcov_. + +maxcoord + Maximum number of nested coordinate levels in geometry. Defaults to 10. To set any of these options (e.g. turning on debug mode), the following form should be used: .. code-block:: sh - cmake -Ddebug=on /path/to/src + cmake -Ddebug=on /path/to/openmc + +.. _gcov: https://gcc.gnu.org/onlinedocs/gcc/Gcov.html Compiling with MPI ++++++++++++++++++ @@ -197,14 +185,14 @@ the MPI Fortran wrapper. For example, in a bash shell: .. code-block:: sh export FC=mpif90 - cmake /path/to/src + cmake /path/to/openmc Note that in many shells, an environment variable can be set for a single command, i.e. .. code-block:: sh - FC=mpif90 cmake /path/to/src + FC=mpif90 cmake /path/to/openmc Compiling with HDF5 +++++++++++++++++++ @@ -215,14 +203,14 @@ the HDF5 Fortran wrapper. For example, in a bash shell: .. code-block:: sh export FC=h5fc - cmake /path/to/src + cmake /path/to/openmc As noted above, an environment variable can typically be set for a single command, i.e. .. code-block:: sh - FC=h5fc cmake /path/to/src + FC=h5fc cmake /path/to/openmc To compile with support for both MPI and HDF5, use the parallel HDF5 wrapper ``h5pfc`` instead. Note that this requires that your HDF5 installation be @@ -236,8 +224,7 @@ the root directory of the source code: .. code-block:: sh - mkdir src/build - cd src/build + mkdir build && cd build cmake .. make make install @@ -287,7 +274,8 @@ the source code root directory: .. code-block:: sh - cd src + mkdir build && cd build + cmake .. make This will build an executable named ``openmc``. @@ -313,7 +301,6 @@ in the root directory of the OpenMC distribution: .. code-block:: sh - cd src make This will build an executable named ``openmc``. @@ -332,7 +319,6 @@ the source directory and run the following: .. code-block:: sh - cd src make test If you want more options for testing you can use ctest_ command. For example, @@ -340,7 +326,7 @@ if we wanted to run only the plot tests with 4 processors, we run: .. code-block:: sh - cd src/build + cd build ctest -j 4 -R plot If you want to run the full test suite with different build options please @@ -385,12 +371,12 @@ the following steps must be taken: 2. In the root directory, a file named ``xsdir``, or some variant thereof, should be present. This file contains a listing of all the cross sections and is used by MCNP. This file should be converted to a ``cross_sections.xml`` - file for use with OpenMC. A Python script is provided in the OpenMC - distribution for this purpose: + file for use with OpenMC. A utility is provided in the OpenMC distribution + for this purpose: .. code-block:: sh - openmc/src/utils/convert_xsdir.py xsdir31 cross_sections.xml + openmc/scripts/openmc-xsdir-to-xml xsdir31 cross_sections.xml 3. In the converted ``cross_sections.xml`` file, change the contents of the element to the absolute path of the directory containing the @@ -436,9 +422,8 @@ Running OpenMC Once you have a model built (see :ref:`usersguide_input`), you can either run the openmc executable directly from the directory containing your XML input files, or you can specify as a command-line argument the directory containing -the XML input files. For example, if the path of your OpenMC executable is -``/home/username/openmc/src/openmc`` and your XML input files are in the -directory ``/home/username/somemodel/``, one way to run the simulation would be: +the XML input files. For example, if your XML input files are in the directory +``/home/username/somemodel/``, one way to run the simulation would be: .. code-block:: sh diff --git a/docs/source/usersguide/processing.rst b/docs/source/usersguide/processing.rst index 937000b5e2..e773cf1563 100644 --- a/docs/source/usersguide/processing.rst +++ b/docs/source/usersguide/processing.rst @@ -22,7 +22,7 @@ Most of these are easily obtainable in Ubuntu through the package manager, or are easily installed with distutils. .. [1] Required for tally data extraction from statepoints with statepoint.py -.. [2] Required only if reading HDF5 statepoint files. +.. [2] Required only if reading HDF5 statepoint files. .. [3] Optional for plotting utilities ---------------------- @@ -265,18 +265,18 @@ two heatmaps in the previous figure. .. code-block:: python #!/usr/bin/env python - + import os - + import statepoint - + # load and parse the statepoint file sp = statepoint.StatePoint('statepoint.300.binary') sp.read_results() - + tallyid = 0 # This is tally 1 score = 0 # This corresponds to flux (see tally.scores) - + # get mesh dimensions meshid = sp.tallies[tallyid].filters['mesh'].bins[0] for i,m in enumerate(sp.meshes): @@ -299,7 +299,7 @@ two heatmaps in the previous figure. [('mesh',(x,y,z)),('energyin',1)], score) fast[(x,y,z)] = val - + # sum up the axial values and write datafile for gnuplot with open('meshdata.dat','w') as fh: for x in range(1,nx+1): @@ -336,7 +336,7 @@ Plotting in 3D As with 3D plots of the geometry, meshtally data needs to be put into a standard format for viewing. The utility statepoint_3d.py is provided to accomplish this for both VTK and SILO. By default statepoint_3d.py processes a statepoint into a -3D file with all mesh tallies and filter/score combinations, +3D file with all mesh tallies and filter/score combinations, .. code-block:: sh @@ -348,8 +348,8 @@ certain data arrays in order to keep file sizes down. .. code-block:: sh - /src/utils/statepoint_3d.py --tallies 2,4 --scores 4.1,4.3 -o output.silo - /src/utils/statepoint_3d.py --filters 2.energyin.1 --vtk -o output.vtm + statepoint_3d.py --tallies 2,4 --scores 4.1,4.3 -o output.silo + statepoint_3d.py --filters 2.energyin.1 --vtk -o output.vtm All available options for specifying a subset of tallies, scores, and filters can be listed with the ``--list`` or ``-l`` command line options. @@ -358,7 +358,7 @@ can be listed with the ``--list`` or ``-l`` command line options. VTK needs to use a multi-block dataset, which stores each mesh piece in a different file in a subfolder. All meshes can be loaded at once with the main VTM file, or each VTI file in the subfolder can be - loaded individually. + loaded individually. Alternatively, the user can write their own Python script to manipulate the data appropriately before insertion into a SILO or VTK file. For instance, if the @@ -396,7 +396,7 @@ and the equivalent VTK file with: grid.SetOrigin(*mesh.lower_left) grid.SetSpacing(*mesh.width) - # vtk cell arrays have x on the inners, so we need to reorder the data + # vtk cell arrays have x on the inners, so we need to reorder the data idata = {} for x in range(nx): for y in range(ny): @@ -416,7 +416,7 @@ and the equivalent VTK file with: grid.GetCellData().AddArray(vtkfastdata) grid.GetCellData().AddArray(vtkthermaldata) - + writer = vtk.vtkXMLImageDataWriter() writer.SetInput(grid) writer.SetFileName('tally.vti') @@ -486,16 +486,16 @@ example of an interactive ipython session using the statepoint.py Python module: .. code-block:: python In [1]: import statepoint - + In [2]: sp = statepoint.StatePoint('statepoint.100.h5') - + In [3]: sp.read_source() - + In [4]: len(sp.source) Out[4]: 1000 - + In [5]: sp.source[0:10] - Out[5]: + Out[5]: [, , , @@ -506,17 +506,17 @@ example of an interactive ipython session using the statepoint.py Python module: , , ] - + In [6]: site = sp.source[0] - + In [7]: site.weight Out[7]: 1.0 - + In [8]: site.xyz Out[8]: array([ 2.21980946, -8.92686048, 87.93720485]) - + In [9]: site.uvw Out[9]: array([ 0.06740523, 0.50612814, 0.85982024]) - + In [10]: site.E Out[10]: 0.93292326356564159 diff --git a/docs/sphinxext/LICENSE b/docs/sphinxext/LICENSE new file mode 100644 index 0000000000..2d508d2be9 --- /dev/null +++ b/docs/sphinxext/LICENSE @@ -0,0 +1,68 @@ +The file notebook_sphinxext.py was derived from code in PyNE and yt. + +PyNE has the following license: + +------------------------------------------------------------------------------- +Copyright 2011-2015, the PyNE Development Team. All rights reserved. + +Redistribution and use in source and binary forms, with or without modification, are +permitted provided that the following conditions are met: + + 1. Redistributions of source code must retain the above copyright notice, this list of + conditions and the following disclaimer. + + 2. Redistributions in binary form must reproduce the above copyright notice, this list + of conditions and the following disclaimer in the documentation and/or other materials + provided with the distribution. + +THIS SOFTWARE IS PROVIDED BY THE PYNE DEVELOPMENT TEAM ``AS IS'' AND ANY EXPRESS OR IMPLIED +WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND +FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL OR +CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR +CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR +SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON +ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING +NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF +ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. + +The views and conclusions contained in the software and documentation are those of the +authors and should not be interpreted as representing official policies, either expressed +or implied, of the stakeholders of the PyNE project or the employers of PyNE developers. +------------------------------------------------------------------------------- + +yt has the following license: + +------------------------------------------------------------------------------- +yt is licensed under the terms of the Modified BSD License (also known as New +or Revised BSD), as follows: + +Copyright (c) 2013-, yt Development Team +Copyright (c) 2006-2013, Matthew Turk + +All rights reserved. + +Redistribution and use in source and binary forms, with or without +modification, are permitted provided that the following conditions are met: + +Redistributions of source code must retain the above copyright notice, this +list of conditions and the following disclaimer. + +Redistributions in binary form must reproduce the above copyright notice, this +list of conditions and the following disclaimer in the documentation and/or +other materials provided with the distribution. + +Neither the name of the yt Development Team nor the names of its +contributors may be used to endorse or promote products derived from this +software without specific prior written permission. + +THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND +ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED +WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE +DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE +FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL +DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR +SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER +CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, +OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE +OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. +------------------------------------------------------------------------------- diff --git a/docs/sphinxext/notebook_sphinxext.py b/docs/sphinxext/notebook_sphinxext.py new file mode 100644 index 0000000000..a9d634a351 --- /dev/null +++ b/docs/sphinxext/notebook_sphinxext.py @@ -0,0 +1,120 @@ +import sys +import os.path +import re +import time +from docutils import io, nodes, statemachine, utils +try: + from docutils.utils.error_reporting import ErrorString # the new way +except ImportError: + from docutils.error_reporting import ErrorString # the old way +from docutils.parsers.rst import Directive, convert_directive_function +from docutils.parsers.rst import directives, roles, states +from docutils.parsers.rst.roles import set_classes +from docutils.transforms import misc + +try: + from IPython.nbconver.exporters import html +except ImportError: + from IPython.nbconvert import html + + +class Notebook(Directive): + """Use nbconvert to insert a notebook into the environment. + This is based on the Raw directive in docutils + """ + required_arguments = 1 + optional_arguments = 0 + final_argument_whitespace = True + option_spec = {} + has_content = False + + def run(self): + # check if raw html is supported + if not self.state.document.settings.raw_enabled: + raise self.warning('"%s" directive disabled.' % self.name) + + # set up encoding + attributes = {'format': 'html'} + encoding = self.options.get( + 'encoding', self.state.document.settings.input_encoding) + e_handler = self.state.document.settings.input_encoding_error_handler + + # get path to notebook + source_dir = os.path.dirname( + os.path.abspath(self.state.document.current_source)) + nb_path = os.path.normpath(os.path.join(source_dir, + self.arguments[0])) + nb_path = utils.relative_path(None, nb_path) + + # convert notebook to html + exporter = html.HTMLExporter(template_file='full') + output, resources = exporter.from_filename(nb_path) + header = output.split('', 1)[1].split('',1)[0] + body = output.split('', 1)[1].split('',1)[0] + + # add HTML5 scoped attribute to header style tags + header = header.replace(''] + lines.append(header) + lines.append(body) + lines.append('') + text = '\n'.join(lines) + + # add dependency + self.state.document.settings.record_dependencies.add(nb_path) + attributes['source'] = nb_path + + # create notebook node + nb_node = notebook('', text, **attributes) + (nb_node.source, nb_node.line) = \ + self.state_machine.get_source_and_line(self.lineno) + + return [nb_node] + + +class notebook(nodes.raw): + pass + + +def visit_notebook_node(self, node): + self.visit_raw(node) + + +def depart_notebook_node(self, node): + self.depart_raw(node) + + +def setup(app): + app.add_node(notebook, + html=(visit_notebook_node, depart_notebook_node)) + + app.add_directive('notebook', Notebook) diff --git a/examples/python/basic/build-xml.py b/examples/python/basic/build-xml.py new file mode 100644 index 0000000000..fb850f3add --- /dev/null +++ b/examples/python/basic/build-xml.py @@ -0,0 +1,141 @@ +import openmc + + +############################################################################### +# Simulation Input File Parameters +############################################################################### + +# OpenMC simulation parameters +batches = 15 +inactive = 5 +particles = 10000 + + +############################################################################### +# Exporting to OpenMC materials.xml File +############################################################################### + +# Instantiate some Nuclides +h1 = openmc.Nuclide('H-1') +o16 = openmc.Nuclide('O-16') +u235 = openmc.Nuclide('U-235') + +# Instantiate some Materials and register the appropriate Nuclides +moderator = openmc.Material(material_id=41, name='moderator') +moderator.set_density('g/cc', 1.0) +moderator.add_nuclide(h1, 2.) +moderator.add_nuclide(o16, 1.) +moderator.add_s_alpha_beta('HH2O', '71t') + +fuel = openmc.Material(material_id=40, name='fuel') +fuel.set_density('g/cc', 4.5) +fuel.add_nuclide(u235, 1.) + +# Instantiate a MaterialsFile, register all Materials, and export to XML +materials_file = openmc.MaterialsFile() +materials_file.default_xs = '71c' +materials_file.add_materials([moderator, fuel]) +materials_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC geometry.xml File +############################################################################### + +# Instantiate ZCylinder surfaces +surf1 = openmc.ZCylinder(surface_id=1, x0=0, y0=0, R=7, name='surf 1') +surf2 = openmc.ZCylinder(surface_id=2, x0=0, y0=0, R=9, name='surf 2') +surf3 = openmc.ZCylinder(surface_id=3, x0=0, y0=0, R=11, name='surf 3') +surf3.boundary_type = 'vacuum' + +# Instantiate Cells +cell1 = openmc.Cell(cell_id=1, name='cell 1') +cell2 = openmc.Cell(cell_id=100, name='cell 2') +cell3 = openmc.Cell(cell_id=101, name='cell 3') +cell4 = openmc.Cell(cell_id=2, name='cell 4') + +# Register Surfaces with Cells +cell1.add_surface(surface=surf2, halfspace=-1) +cell2.add_surface(surface=surf1, halfspace=-1) +cell3.add_surface(surface=surf1, halfspace=+1) +cell4.add_surface(surface=surf2, halfspace=+1) +cell4.add_surface(surface=surf3, halfspace=-1) + +# Register Materials with Cells +cell2.fill = fuel +cell3.fill = moderator +cell4.fill = moderator + +# Instantiate Universes +universe1 = openmc.Universe(universe_id=37) +root = openmc.Universe(universe_id=0, name='root universe') +cell1.fill = universe1 + +# Register Cells with Universes +universe1.add_cells([cell2, cell3]) +root.add_cells([cell1, cell4]) + +# Instantiate a Geometry and register the root Universe +geometry = openmc.Geometry() +geometry.root_universe = root + +# Instantiate a GeometryFile, register Geometry, and export to XML +geometry_file = openmc.GeometryFile() +geometry_file.geometry = geometry +geometry_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC settings.xml File +############################################################################### + +# Instantiate a SettingsFile, set all runtime parameters, and export to XML +settings_file = openmc.SettingsFile() +settings_file.batches = batches +settings_file.inactive = inactive +settings_file.particles = particles +settings_file.set_source_space('box', [-4, -4, -4, 4, 4, 4]) +settings_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC tallies.xml File +############################################################################### + +# Instantiate some tally Filters +cell_filter = openmc.Filter(type='cell', bins=100) +energy_filter = openmc.Filter(type='energy', bins=[0., 20.]) +energyout_filter = openmc.Filter(type='energyout', bins=[0., 20.]) + +# Instantiate the first Tally +first_tally = openmc.Tally(tally_id=1, name='first tally') +first_tally.add_filter(cell_filter) +scores = ['total', 'scatter', 'nu-scatter', \ + 'absorption', 'fission', 'nu-fission'] +for score in scores: + first_tally.add_score(score) + +# Instantiate the second Tally +second_tally = openmc.Tally(tally_id=2, name='second tally') +second_tally.add_filter(cell_filter) +second_tally.add_filter(energy_filter) +scores = ['total', 'scatter', 'nu-scatter', \ + 'absorption', 'fission', 'nu-fission'] +for score in scores: + second_tally.add_score(score) + +# Instantiate the third Tally +third_tally = openmc.Tally(tally_id=3, name='third tally') +third_tally.add_filter(cell_filter) +third_tally.add_filter(energy_filter) +third_tally.add_filter(energyout_filter) +scores = ['scatter', 'nu-scatter', 'nu-fission'] +for score in scores: + third_tally.add_score(score) + +# Instantiate a TalliesFile, register all Tallies, and export to XML +tallies_file = openmc.TalliesFile() +tallies_file.add_tally(first_tally) +tallies_file.add_tally(second_tally) +tallies_file.add_tally(third_tally) +tallies_file.export_to_xml() diff --git a/examples/python/lattice/hexagonal/build-xml.py b/examples/python/lattice/hexagonal/build-xml.py new file mode 100644 index 0000000000..5cf8eed062 --- /dev/null +++ b/examples/python/lattice/hexagonal/build-xml.py @@ -0,0 +1,176 @@ +import openmc + + +############################################################################### +# Simulation Input File Parameters +############################################################################### + +# OpenMC simulation parameters +batches = 20 +inactive = 10 +particles = 10000 + + +############################################################################### +# Exporting to OpenMC materials.xml File +############################################################################### + +# Instantiate some Nuclides +h1 = openmc.Nuclide('H-1') +o16 = openmc.Nuclide('O-16') +u235 = openmc.Nuclide('U-235') +fe56 = openmc.Nuclide('Fe-56') + +# Instantiate some Materials and register the appropriate Nuclides +fuel = openmc.Material(material_id=1, name='fuel') +fuel.set_density('g/cc', 4.5) +fuel.add_nuclide(u235, 1.) + +moderator = openmc.Material(material_id=2, name='moderator') +moderator.set_density('g/cc', 1.0) +moderator.add_nuclide(h1, 2.) +moderator.add_nuclide(o16, 1.) +moderator.add_s_alpha_beta('HH2O', '71t') + +iron = openmc.Material(material_id=3, name='iron') +iron.set_density('g/cc', 7.9) +iron.add_nuclide(fe56, 1.) + +# Instantiate a MaterialsFile, register all Materials, and export to XML +materials_file = openmc.MaterialsFile() +materials_file.default_xs = '71c' +materials_file.add_materials([moderator, fuel, iron]) +materials_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC geometry.xml File +############################################################################### + +# Instantiate Surfaces +left = openmc.XPlane(surface_id=1, x0=-3, name='left') +right = openmc.XPlane(surface_id=2, x0=3, name='right') +bottom = openmc.YPlane(surface_id=3, y0=-4, name='bottom') +top = openmc.YPlane(surface_id=4, y0=4, name='top') +fuel_surf = openmc.ZCylinder(surface_id=5, x0=0, y0=0, R=0.4) + +left.boundary_type = 'vacuum' +right.boundary_type = 'vacuum' +top.boundary_type = 'vacuum' +bottom.boundary_type = 'vacuum' + +# Instantiate Cells +cell1 = openmc.Cell(cell_id=1, name='Cell 1') +cell2 = openmc.Cell(cell_id=101, name='cell 2') +cell3 = openmc.Cell(cell_id=102, name='cell 3') +cell4 = openmc.Cell(cell_id=500, name='cell 4') +cell5 = openmc.Cell(cell_id=600, name='cell 5') +cell6 = openmc.Cell(cell_id=601, name='cell 6') + +# Register Surfaces with Cells +cell1.add_surface(left, halfspace=+1) +cell1.add_surface(right, halfspace=-1) +cell1.add_surface(bottom, halfspace=+1) +cell1.add_surface(top, halfspace=-1) +cell2.add_surface(fuel_surf, halfspace=-1) +cell3.add_surface(fuel_surf, halfspace=+1) +cell5.add_surface(fuel_surf, halfspace=-1) +cell6.add_surface(fuel_surf, halfspace=+1) + +# Register Materials with Cells +cell2.fill = fuel +cell3.fill = moderator +cell4.fill = moderator +cell5.fill = iron +cell6.fill = moderator + +# Instantiate Universe +univ1 = openmc.Universe(universe_id=1) +univ2 = openmc.Universe(universe_id=3) +univ3 = openmc.Universe(universe_id=4) +root = openmc.Universe(universe_id=0, name='root universe') + +# Register Cells with Universe +univ1.add_cells([cell2, cell3]) +univ2.add_cells([cell4]) +univ3.add_cells([cell5, cell6]) +root.add_cell(cell1) + +# Instantiate a Lattice +lattice = openmc.HexLattice(lattice_id=5) +lattice.center = [0., 0., 0.] +lattice.pitch = [1., 2.] +lattice.universes = \ + [ [ [univ2] + [univ3]*11, [univ2] + [univ3]*5, [univ3] ], + [ [univ2] + [univ1]*11, [univ2] + [univ1]*5, [univ1] ], + [ [univ2] + [univ3]*11, [univ2] + [univ3]*5, [univ3] ] ] +lattice.outer = univ2 + +# Fill Cell with the Lattice +cell1.fill = lattice + +# Instantiate a Geometry and register the root Universe +geometry = openmc.Geometry() +geometry.root_universe = root + +# Instantiate a GeometryFile, register Geometry, and export to XML +geometry_file = openmc.GeometryFile() +geometry_file.geometry = geometry +geometry_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC settings.xml File +############################################################################### + +# Instantiate a SettingsFile, set all runtime parameters, and export to XML +settings_file = openmc.SettingsFile() +settings_file.batches = batches +settings_file.inactive = inactive +settings_file.particles = particles +settings_file.set_source_space('box', [-1, -1, -1, 1, 1, 1]) +settings_file.keff_trigger = {'type' : 'std_dev', 'threshold' : 5E-4} +settings_file.trigger_active = True +settings_file.trigger_max_batches = 100 +settings_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC plots.xml File +############################################################################### + +plot_xy = openmc.Plot(plot_id=1) +plot_xy.filename = 'plot_xy' +plot_xy.origin = [0, 0, 0] +plot_xy.width = [6, 6] +plot_xy.pixels = [400, 400] +plot_xy.color = 'mat' + +plot_yz = openmc.Plot(plot_id=2) +plot_yz.filename = 'plot_yz' +plot_yz.basis = 'yz' +plot_yz.origin = [0, 0, 0] +plot_yz.width = [8, 8] +plot_yz.pixels = [400, 400] +plot_yz.color = 'mat' + +# Instantiate a PlotsFile, add Plot, and export to XML +plot_file = openmc.PlotsFile() +plot_file.add_plot(plot_xy) +plot_file.add_plot(plot_yz) +plot_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC tallies.xml File +############################################################################### + +# Instantiate a distribcell Tally +tally = openmc.Tally(tally_id=1) +tally.add_filter(openmc.Filter(type='distribcell', bins=[cell2.id])) +tally.add_score('total') + +# Instantiate a TalliesFile, register Tally/Mesh, and export to XML +tallies_file = openmc.TalliesFile() +tallies_file.add_tally(tally) +tallies_file.export_to_xml() diff --git a/examples/python/lattice/nested/build-xml.py b/examples/python/lattice/nested/build-xml.py new file mode 100644 index 0000000000..ce67665429 --- /dev/null +++ b/examples/python/lattice/nested/build-xml.py @@ -0,0 +1,189 @@ +import openmc + + +############################################################################### +# Simulation Input File Parameters +############################################################################### + +# OpenMC simulation parameters +batches = 20 +inactive = 10 +particles = 10000 + + +############################################################################### +# Exporting to OpenMC materials.xml File +############################################################################### + +# Instantiate some Nuclides +h1 = openmc.Nuclide('H-1') +o16 = openmc.Nuclide('O-16') +u235 = openmc.Nuclide('U-235') + +# Instantiate some Materials and register the appropriate Nuclides +fuel = openmc.Material(material_id=1, name='fuel') +fuel.set_density('g/cc', 4.5) +fuel.add_nuclide(u235, 1.) + +moderator = openmc.Material(material_id=2, name='moderator') +moderator.set_density('g/cc', 1.0) +moderator.add_nuclide(h1, 2.) +moderator.add_nuclide(o16, 1.) +moderator.add_s_alpha_beta('HH2O', '71t') + +# Instantiate a MaterialsFile, register all Materials, and export to XML +materials_file = openmc.MaterialsFile() +materials_file.default_xs = '71c' +materials_file.add_materials([moderator, fuel]) +materials_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC geometry.xml File +############################################################################### + +# Instantiate Surfaces +left = openmc.XPlane(surface_id=1, x0=-2, name='left') +right = openmc.XPlane(surface_id=2, x0=2, name='right') +bottom = openmc.YPlane(surface_id=3, y0=-2, name='bottom') +top = openmc.YPlane(surface_id=4, y0=2, name='top') +fuel1 = openmc.ZCylinder(surface_id=5, x0=0, y0=0, R=0.4) +fuel2 = openmc.ZCylinder(surface_id=6, x0=0, y0=0, R=0.3) +fuel3 = openmc.ZCylinder(surface_id=7, x0=0, y0=0, R=0.2) + +left.boundary_type = 'vacuum' +right.boundary_type = 'vacuum' +top.boundary_type = 'vacuum' +bottom.boundary_type = 'vacuum' + +# Instantiate Cells +cell1 = openmc.Cell(cell_id=1, name='Cell 1') +cell2 = openmc.Cell(cell_id=2, name='Cell 2') +cell3 = openmc.Cell(cell_id=101, name='cell 3') +cell4 = openmc.Cell(cell_id=102, name='cell 4') +cell5 = openmc.Cell(cell_id=201, name='cell 5') +cell6 = openmc.Cell(cell_id=202, name='cell 6') +cell7 = openmc.Cell(cell_id=301, name='cell 7') +cell8 = openmc.Cell(cell_id=302, name='cell 8') + +# Register Surfaces with Cells +cell1.add_surface(left, halfspace=+1) +cell1.add_surface(right, halfspace=-1) +cell1.add_surface(bottom, halfspace=+1) +cell1.add_surface(top, halfspace=-1) +cell2.add_surface(left, halfspace=+1) +cell2.add_surface(right, halfspace=-1) +cell2.add_surface(bottom, halfspace=+1) +cell2.add_surface(top, halfspace=-1) +cell3.add_surface(fuel1, halfspace=-1) +cell4.add_surface(fuel1, halfspace=+1) +cell5.add_surface(fuel2, halfspace=-1) +cell6.add_surface(fuel2, halfspace=+1) +cell7.add_surface(fuel3, halfspace=-1) +cell8.add_surface(fuel3, halfspace=+1) + +# Register Materials with Cells +cell3.fill = fuel +cell4.fill = moderator +cell5.fill = fuel +cell6.fill = moderator +cell7.fill = fuel +cell8.fill = moderator + +# Instantiate Universe +univ1 = openmc.Universe(universe_id=1) +univ2 = openmc.Universe(universe_id=2) +univ3 = openmc.Universe(universe_id=3) +univ4 = openmc.Universe(universe_id=5) +root = openmc.Universe(universe_id=0, name='root universe') + +# Register Cells with Universe +univ1.add_cells([cell3, cell4]) +univ2.add_cells([cell5, cell6]) +univ3.add_cells([cell7, cell8]) +root.add_cell(cell1) +univ4.add_cell(cell2) + +# Instantiate nested Lattices +lattice1 = openmc.RectLattice(lattice_id=4, name='4x4 assembly') +lattice1.dimension = [2, 2] +lattice1.lower_left = [-1., -1.] +lattice1.pitch = [1., 1.] +lattice1.universes = [[univ1, univ2], + [univ2, univ3]] + +lattice2 = openmc.RectLattice(lattice_id=6, name='4x4 core') +lattice2.dimension = [2, 2] +lattice2.lower_left = [-2., -2.] +lattice2.pitch = [2., 2.] +lattice2.universes = [[univ4, univ4], + [univ4, univ4]] + +# Fill Cell with the Lattice +cell1.fill = lattice2 +cell2.fill = lattice1 + +# Instantiate a Geometry and register the root Universe +geometry = openmc.Geometry() +geometry.root_universe = root + +# Instantiate a GeometryFile, register Geometry, and export to XML +geometry_file = openmc.GeometryFile() +geometry_file.geometry = geometry +geometry_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC settings.xml File +############################################################################### + +# Instantiate a SettingsFile, set all runtime parameters, and export to XML +settings_file = openmc.SettingsFile() +settings_file.batches = batches +settings_file.inactive = inactive +settings_file.particles = particles +settings_file.set_source_space('box', [-1, -1, -1, 1, 1, 1]) +settings_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC plots.xml File +############################################################################### + +plot = openmc.Plot(plot_id=1) +plot.origin = [0, 0, 0] +plot.width = [4, 4] +plot.pixels = [400, 400] +plot.color = 'mat' + +# Instantiate a PlotsFile, add Plot, and export to XML +plot_file = openmc.PlotsFile() +plot_file.add_plot(plot) +plot_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC tallies.xml File +############################################################################### + +# Instantiate a tally mesh +mesh = openmc.Mesh(mesh_id=1) +mesh.type = 'rectangular' +mesh.dimension = [4, 4] +mesh.lower_left = [-2, -2] +mesh.width = [1, 1] + +# Instantiate tally Filter +mesh_filter = openmc.Filter() +mesh_filter.mesh = mesh + +# Instantiate the Tally +tally = openmc.Tally(tally_id=1) +tally.add_filter(mesh_filter) +tally.add_score('total') + +# Instantiate a TalliesFile, register Tally/Mesh, and export to XML +tallies_file = openmc.TalliesFile() +tallies_file.add_mesh(mesh) +tallies_file.add_tally(tally) +tallies_file.export_to_xml() diff --git a/examples/python/lattice/simple/build-xml.py b/examples/python/lattice/simple/build-xml.py new file mode 100644 index 0000000000..675c7e08ba --- /dev/null +++ b/examples/python/lattice/simple/build-xml.py @@ -0,0 +1,183 @@ +import openmc + + +############################################################################### +# Simulation Input File Parameters +############################################################################### + +# OpenMC simulation parameters +batches = 20 +inactive = 10 +particles = 10000 + + +############################################################################### +# Exporting to OpenMC materials.xml File +############################################################################### + +# Instantiate some Nuclides +h1 = openmc.Nuclide('H-1') +o16 = openmc.Nuclide('O-16') +u235 = openmc.Nuclide('U-235') + +# Instantiate some Materials and register the appropriate Nuclides +fuel = openmc.Material(material_id=1, name='fuel') +fuel.set_density('g/cc', 4.5) +fuel.add_nuclide(u235, 1.) + +moderator = openmc.Material(material_id=2, name='moderator') +moderator.set_density('g/cc', 1.0) +moderator.add_nuclide(h1, 2.) +moderator.add_nuclide(o16, 1.) +moderator.add_s_alpha_beta('HH2O', '71t') + +# Instantiate a MaterialsFile, register all Materials, and export to XML +materials_file = openmc.MaterialsFile() +materials_file.default_xs = '71c' +materials_file.add_materials([moderator, fuel]) +materials_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC geometry.xml File +############################################################################### + +# Instantiate Surfaces +left = openmc.XPlane(surface_id=1, x0=-2, name='left') +right = openmc.XPlane(surface_id=2, x0=2, name='right') +bottom = openmc.YPlane(surface_id=3, y0=-2, name='bottom') +top = openmc.YPlane(surface_id=4, y0=2, name='top') +fuel1 = openmc.ZCylinder(surface_id=5, x0=0, y0=0, R=0.4) +fuel2 = openmc.ZCylinder(surface_id=6, x0=0, y0=0, R=0.3) +fuel3 = openmc.ZCylinder(surface_id=7, x0=0, y0=0, R=0.2) + +left.boundary_type = 'vacuum' +right.boundary_type = 'vacuum' +top.boundary_type = 'vacuum' +bottom.boundary_type = 'vacuum' + +# Instantiate Cells +cell1 = openmc.Cell(cell_id=1, name='Cell 1') +cell2 = openmc.Cell(cell_id=101, name='cell 2') +cell3 = openmc.Cell(cell_id=102, name='cell 3') +cell4 = openmc.Cell(cell_id=201, name='cell 4') +cell5 = openmc.Cell(cell_id=202, name='cell 5') +cell6 = openmc.Cell(cell_id=301, name='cell 6') +cell7 = openmc.Cell(cell_id=302, name='cell 7') + +# Register Surfaces with Cells +cell1.add_surface(left, halfspace=+1) +cell1.add_surface(right, halfspace=-1) +cell1.add_surface(bottom, halfspace=+1) +cell1.add_surface(top, halfspace=-1) +cell2.add_surface(fuel1, halfspace=-1) +cell3.add_surface(fuel1, halfspace=+1) +cell4.add_surface(fuel2, halfspace=-1) +cell5.add_surface(fuel2, halfspace=+1) +cell6.add_surface(fuel3, halfspace=-1) +cell7.add_surface(fuel3, halfspace=+1) + +# Register Materials with Cells +cell2.fill = fuel +cell3.fill = moderator +cell4.fill = fuel +cell5.fill = moderator +cell6.fill = fuel +cell7.fill = moderator + +# Instantiate Universe +univ1 = openmc.Universe(universe_id=1) +univ2 = openmc.Universe(universe_id=2) +univ3 = openmc.Universe(universe_id=3) +root = openmc.Universe(universe_id=0, name='root universe') + +# Register Cells with Universe +univ1.add_cells([cell2, cell3]) +univ2.add_cells([cell4, cell5]) +univ3.add_cells([cell6, cell7]) +root.add_cell(cell1) + +# Instantiate a Lattice +lattice = openmc.RectLattice(lattice_id=5) +lattice.dimension = [4, 4] +lattice.lower_left = [-2., -2.] +lattice.pitch = [1., 1.] +lattice.universes = [[univ1, univ2, univ1, univ2], + [univ2, univ3, univ2, univ3], + [univ1, univ2, univ1, univ2], + [univ2, univ3, univ2, univ3]] + +# Fill Cell with the Lattice +cell1.fill = lattice + +# Instantiate a Geometry and register the root Universe +geometry = openmc.Geometry() +geometry.root_universe = root + +# Instantiate a GeometryFile, register Geometry, and export to XML +geometry_file = openmc.GeometryFile() +geometry_file.geometry = geometry +geometry_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC settings.xml File +############################################################################### + +# Instantiate a SettingsFile, set all runtime parameters, and export to XML +settings_file = openmc.SettingsFile() +settings_file.batches = batches +settings_file.inactive = inactive +settings_file.particles = particles +settings_file.set_source_space('box', [-1, -1, -1, 1, 1, 1]) +settings_file.trigger_active = True +settings_file.trigger_max_batches = 100 +settings_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC plots.xml File +############################################################################### + +plot = openmc.Plot(plot_id=1) +plot.origin = [0, 0, 0] +plot.width = [4, 4] +plot.pixels = [400, 400] +plot.color = 'mat' + +# Instantiate a PlotsFile, add Plot, and export to XML +plot_file = openmc.PlotsFile() +plot_file.add_plot(plot) +plot_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC tallies.xml File +############################################################################### + +# Instantiate a tally mesh +mesh = openmc.Mesh(mesh_id=1) +mesh.type = 'rectangular' +mesh.dimension = [4, 4] +mesh.lower_left = [-2, -2] +mesh.width = [1, 1] + +# Instantiate tally Filter +mesh_filter = openmc.Filter() +mesh_filter.mesh = mesh + +# Instantiate tally Trigger +trigger = openmc.Trigger(trigger_type='rel_err', threshold=1E-2) +trigger.add_score('all') + +# Instantiate the Tally +tally = openmc.Tally(tally_id=1) +tally.add_filter(mesh_filter) +tally.add_score('total') +tally.add_trigger(trigger) + +# Instantiate a TalliesFile, register Tally/Mesh, and export to XML +tallies_file = openmc.TalliesFile() +tallies_file.add_mesh(mesh) +tallies_file.add_tally(tally) +tallies_file.export_to_xml() diff --git a/examples/python/pincell/build-xml.py b/examples/python/pincell/build-xml.py new file mode 100644 index 0000000000..9338aff0e9 --- /dev/null +++ b/examples/python/pincell/build-xml.py @@ -0,0 +1,214 @@ +import openmc + + +############################################################################### +# Simulation Input File Parameters +############################################################################### + +# OpenMC simulation parameters +batches = 100 +inactive = 10 +particles = 1000 + + +############################################################################### +# Exporting to OpenMC materials.xml File +############################################################################### + +# Instantiate some Nuclides +h1 = openmc.Nuclide('H-1') +h2 = openmc.Nuclide('H-2') +he4 = openmc.Nuclide('He-4') +b10 = openmc.Nuclide('B-10') +b11 = openmc.Nuclide('B-11') +o16 = openmc.Nuclide('O-16') +o17 = openmc.Nuclide('O-17') +cr50 = openmc.Nuclide('Cr-50') +cr52 = openmc.Nuclide('Cr-52') +cr53 = openmc.Nuclide('Cr-53') +cr54 = openmc.Nuclide('Cr-54') +fe54 = openmc.Nuclide('Fe-54') +fe56 = openmc.Nuclide('Fe-56') +fe57 = openmc.Nuclide('Fe-57') +fe58 = openmc.Nuclide('Fe-58') +zr90 = openmc.Nuclide('Zr-90') +zr91 = openmc.Nuclide('Zr-91') +zr92 = openmc.Nuclide('Zr-92') +zr94 = openmc.Nuclide('Zr-94') +zr96 = openmc.Nuclide('Zr-96') +sn112 = openmc.Nuclide('Sn-112') +sn114 = openmc.Nuclide('Sn-114') +sn115 = openmc.Nuclide('Sn-115') +sn116 = openmc.Nuclide('Sn-116') +sn117 = openmc.Nuclide('Sn-117') +sn118 = openmc.Nuclide('Sn-118') +sn119 = openmc.Nuclide('Sn-119') +sn120 = openmc.Nuclide('Sn-120') +sn122 = openmc.Nuclide('Sn-122') +sn124 = openmc.Nuclide('Sn-124') +u234 = openmc.Nuclide('U-234') +u235 = openmc.Nuclide('U-235') +u238 = openmc.Nuclide('U-238') + +# Instantiate some Materials and register the appropriate Nuclides +uo2 = openmc.Material(material_id=1, name='UO2 fuel at 2.4% wt enrichment') +uo2.set_density('g/cm3', 10.29769) +uo2.add_nuclide(u234, 4.4843e-6) +uo2.add_nuclide(u235, 5.5815e-4) +uo2.add_nuclide(u238, 2.2408e-2) +uo2.add_nuclide(o16, 4.5829e-2) +uo2.add_nuclide(o17, 1.1164e-4) + +helium = openmc.Material(material_id=2, name='Helium for gap') +helium.set_density('g/cm3', 0.001598) +helium.add_nuclide(he4, 2.4044e-4) + +zircaloy = openmc.Material(material_id=3, name='Zircaloy 4') +zircaloy.set_density('g/cm3', 6.55) +zircaloy.add_nuclide(o16, 3.0743e-4) +zircaloy.add_nuclide(o17, 7.4887e-7) +zircaloy.add_nuclide(cr50, 3.2962e-6) +zircaloy.add_nuclide(cr52, 6.3564e-5) +zircaloy.add_nuclide(cr53, 7.2076e-6) +zircaloy.add_nuclide(cr54, 1.7941e-6) +zircaloy.add_nuclide(fe54, 8.6699e-6) +zircaloy.add_nuclide(fe56, 1.3610e-4) +zircaloy.add_nuclide(fe57, 3.1431e-6) +zircaloy.add_nuclide(fe58, 4.1829e-7) +zircaloy.add_nuclide(zr90, 2.1827e-2) +zircaloy.add_nuclide(zr91, 4.7600e-3) +zircaloy.add_nuclide(zr92, 7.2758e-3) +zircaloy.add_nuclide(zr94, 7.3734e-3) +zircaloy.add_nuclide(zr96, 1.1879e-3) +zircaloy.add_nuclide(sn112, 4.6735e-6) +zircaloy.add_nuclide(sn114, 3.1799e-6) +zircaloy.add_nuclide(sn115, 1.6381e-6) +zircaloy.add_nuclide(sn116, 7.0055e-5) +zircaloy.add_nuclide(sn117, 3.7003e-5) +zircaloy.add_nuclide(sn118, 1.1669e-4) +zircaloy.add_nuclide(sn119, 4.1387e-5) +zircaloy.add_nuclide(sn120, 1.5697e-4) +zircaloy.add_nuclide(sn122, 2.2308e-5) +zircaloy.add_nuclide(sn124, 2.7897e-5) + +borated_water = openmc.Material(material_id=4, name='Borated water at 975 ppm') +borated_water.set_density('g/cm3', 0.740582) +borated_water.add_nuclide(b10, 8.0042e-6) +borated_water.add_nuclide(b11, 3.2218e-5) +borated_water.add_nuclide(h1, 4.9457e-2) +borated_water.add_nuclide(h2, 7.4196e-6) +borated_water.add_nuclide(o16, 2.4672e-2) +borated_water.add_nuclide(o17, 6.0099e-5) +borated_water.add_s_alpha_beta('HH2O', '71t') + +# Instantiate a MaterialsFile, register all Materials, and export to XML +materials_file = openmc.MaterialsFile() +materials_file.default_xs = '71c' +materials_file.add_materials([uo2, helium, zircaloy, borated_water]) +materials_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC geometry.xml File +############################################################################### + +# Instantiate ZCylinder surfaces +fuel_or = openmc.ZCylinder(surface_id=1, x0=0, y0=0, R=0.39218, name='Fuel OR') +clad_ir = openmc.ZCylinder(surface_id=2, x0=0, y0=0, R=0.40005, name='Clad IR') +clad_or = openmc.ZCylinder(surface_id=3, x0=0, y0=0, R=0.45720, name='Clad OR') +left = openmc.XPlane(surface_id=4, x0=-0.62992, name='left') +right = openmc.XPlane(surface_id=5, x0=0.62992, name='right') +bottom = openmc.YPlane(surface_id=6, y0=-0.62992, name='bottom') +top = openmc.YPlane(surface_id=7, y0=0.62992, name='top') + +left.boundary_type = 'reflective' +right.boundary_type = 'reflective' +top.boundary_type = 'reflective' +bottom.boundary_type = 'reflective' + +# Instantiate Cells +fuel = openmc.Cell(cell_id=1, name='cell 1') +gap = openmc.Cell(cell_id=2, name='cell 2') +clad = openmc.Cell(cell_id=3, name='cell 3') +water = openmc.Cell(cell_id=4, name='cell 4') + +# Register Surfaces with Cells +fuel.add_surface(fuel_or, halfspace=-1) +gap.add_surface(fuel_or, halfspace=+1) +gap.add_surface(clad_ir, halfspace=-1) +clad.add_surface(clad_ir, halfspace=+1) +clad.add_surface(clad_or, halfspace=-1) +water.add_surface(clad_or, halfspace=+1) +water.add_surface(left, halfspace=+1) +water.add_surface(right, halfspace=-1) +water.add_surface(bottom, halfspace=+1) +water.add_surface(top, halfspace=-1) + +# Register Materials with Cells +fuel.fill = uo2 +gap.fill = helium +clad.fill = zircaloy +water.fill = borated_water + +# Instantiate Universe +root = openmc.Universe(universe_id=0, name='root universe') + +# Register Cells with Universe +root.add_cells([fuel, gap, clad, water]) + +# Instantiate a Geometry and register the root Universe +geometry = openmc.Geometry() +geometry.root_universe = root + +# Instantiate a GeometryFile, register Geometry, and export to XML +geometry_file = openmc.GeometryFile() +geometry_file.geometry = geometry +geometry_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC settings.xml File +############################################################################### + +# Instantiate a SettingsFile, set all runtime parameters, and export to XML +settings_file = openmc.SettingsFile() +settings_file.batches = batches +settings_file.inactive = inactive +settings_file.particles = particles +settings_file.set_source_space('box', [-0.62992, -0.62992, -1, \ + 0.62992, 0.62992, 1]) +settings_file.entropy_lower_left = [-0.39218, -0.39218, -1.e50] +settings_file.entropy_upper_right = [0.39218, 0.39218, 1.e50] +settings_file.entropy_dimension = [10, 10, 1] +settings_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC tallies.xml File +############################################################################### + +# Instantiate a tally mesh +mesh = openmc.Mesh(mesh_id=1) +mesh.type = 'rectangular' +mesh.dimension = [100, 100, 1] +mesh.lower_left = [-0.62992, -0.62992, -1.e50] +mesh.upper_right = [0.62992, 0.62992, 1.e50] + +# Instantiate some tally Filters +energy_filter = openmc.Filter(type='energy', bins=[0., 4.e-6, 20.]) +mesh_filter = openmc.Filter() +mesh_filter.mesh = mesh + +# Instantiate the Tally +tally = openmc.Tally(tally_id=1, name='tally 1') +tally.add_filter(energy_filter) +tally.add_filter(mesh_filter) +tally.add_score('flux') +tally.add_score('fission') +tally.add_score('nu-fission') + +# Instantiate a TalliesFile, register all Tallies, and export to XML +tallies_file = openmc.TalliesFile() +tallies_file.add_mesh(mesh) +tallies_file.add_tally(tally) +tallies_file.export_to_xml() diff --git a/examples/python/reflective/build-xml.py b/examples/python/reflective/build-xml.py new file mode 100644 index 0000000000..9a182903e1 --- /dev/null +++ b/examples/python/reflective/build-xml.py @@ -0,0 +1,92 @@ +import openmc + + +############################################################################### +# Simulation Input File Parameters +############################################################################### + +# OpenMC simulation parameters +batches = 500 +inactive = 10 +particles = 10000 + + +############################################################################### +# Exporting to OpenMC materials.xml File +############################################################################### + +# Instantiate a Nuclides +u235 = openmc.Nuclide('U-235') + +# Instantiate a Material and register the Nuclide +fuel = openmc.Material(material_id=1, name='fuel') +fuel.set_density('g/cc', 4.5) +fuel.add_nuclide(u235, 1.) + +# Instantiate a MaterialsFile, register Material, and export to XML +materials_file = openmc.MaterialsFile() +materials_file.default_xs = '71c' +materials_file.add_material(fuel) +materials_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC geometry.xml File +############################################################################### + +# Instantiate Surfaces +surf1 = openmc.XPlane(surface_id=1, x0=-1, name='surf 1') +surf2 = openmc.XPlane(surface_id=2, x0=+1, name='surf 2') +surf3 = openmc.YPlane(surface_id=3, y0=-1, name='surf 3') +surf4 = openmc.YPlane(surface_id=4, y0=+1, name='surf 4') +surf5 = openmc.ZPlane(surface_id=5, z0=-1, name='surf 5') +surf6 = openmc.ZPlane(surface_id=6, z0=+1, name='surf 6') + +surf1.boundary_type = 'vacuum' +surf2.boundary_type = 'vacuum' +surf3.boundary_type = 'reflective' +surf4.boundary_type = 'reflective' +surf5.boundary_type = 'reflective' +surf6.boundary_type = 'reflective' + +# Instantiate Cell +cell = openmc.Cell(cell_id=1, name='cell 1') + +# Register Surfaces with Cell +cell.add_surface(surface=surf1, halfspace=+1) +cell.add_surface(surface=surf2, halfspace=-1) +cell.add_surface(surface=surf3, halfspace=+1) +cell.add_surface(surface=surf4, halfspace=-1) +cell.add_surface(surface=surf5, halfspace=+1) +cell.add_surface(surface=surf6, halfspace=-1) + +# Register Material with Cell +cell.fill = fuel + +# Instantiate Universes +root = openmc.Universe(universe_id=0, name='root universe') + +# Register Cell with Universe +root.add_cell(cell) + +# Instantiate a Geometry and register the root Universe +geometry = openmc.Geometry() +geometry.root_universe = root + +# Instantiate a GeometryFile, register Geometry, and export to XML +geometry_file = openmc.GeometryFile() +geometry_file.geometry = geometry +geometry_file.export_to_xml() + + +############################################################################### +# Exporting to OpenMC settings.xml File +############################################################################### + +# Instantiate a SettingsFile, set all runtime parameters, and export to XML +settings_file = openmc.SettingsFile() +settings_file.batches = batches +settings_file.inactive = inactive +settings_file.particles = particles +settings_file.set_source_space('box', [-1, -1, -1, 1, 1, 1]) +settings_file.export_to_xml() diff --git a/examples/basic/geometry.xml b/examples/xml/basic/geometry.xml similarity index 100% rename from examples/basic/geometry.xml rename to examples/xml/basic/geometry.xml diff --git a/examples/basic/materials.xml b/examples/xml/basic/materials.xml similarity index 100% rename from examples/basic/materials.xml rename to examples/xml/basic/materials.xml diff --git a/examples/basic/settings.xml b/examples/xml/basic/settings.xml similarity index 100% rename from examples/basic/settings.xml rename to examples/xml/basic/settings.xml diff --git a/examples/basic/tallies.xml b/examples/xml/basic/tallies.xml similarity index 100% rename from examples/basic/tallies.xml rename to examples/xml/basic/tallies.xml diff --git a/examples/lattice/nested/geometry.xml b/examples/xml/lattice/nested/geometry.xml similarity index 92% rename from examples/lattice/nested/geometry.xml rename to examples/xml/lattice/nested/geometry.xml index f223cf3bb4..9df9b9e931 100644 --- a/examples/lattice/nested/geometry.xml +++ b/examples/xml/lattice/nested/geometry.xml @@ -12,10 +12,9 @@ - rectangular 2 2 -1.0 -1.0 - 1.0 1.0 + 1.0 1.0 1 2 2 3 @@ -24,10 +23,9 @@ - rectangular 2 2 -2.0 -2.0 - 2.0 2.0 + 2.0 2.0 5 5 5 5 diff --git a/examples/lattice/nested/materials.xml b/examples/xml/lattice/nested/materials.xml similarity index 100% rename from examples/lattice/nested/materials.xml rename to examples/xml/lattice/nested/materials.xml diff --git a/examples/lattice/nested/plots.xml b/examples/xml/lattice/nested/plots.xml similarity index 100% rename from examples/lattice/nested/plots.xml rename to examples/xml/lattice/nested/plots.xml diff --git a/examples/lattice/nested/settings.xml b/examples/xml/lattice/nested/settings.xml similarity index 100% rename from examples/lattice/nested/settings.xml rename to examples/xml/lattice/nested/settings.xml diff --git a/examples/lattice/nested/tallies.xml b/examples/xml/lattice/nested/tallies.xml similarity index 100% rename from examples/lattice/nested/tallies.xml rename to examples/xml/lattice/nested/tallies.xml diff --git a/examples/lattice/simple/geometry.xml b/examples/xml/lattice/simple/geometry.xml similarity index 95% rename from examples/lattice/simple/geometry.xml rename to examples/xml/lattice/simple/geometry.xml index b5bad90b9c..c1f8d78644 100644 --- a/examples/lattice/simple/geometry.xml +++ b/examples/xml/lattice/simple/geometry.xml @@ -10,10 +10,9 @@ - rectangular 4 4 -2.0 -2.0 - 1.0 1.0 + 1.0 1.0 1 2 1 2 2 3 2 3 diff --git a/examples/lattice/simple/materials.xml b/examples/xml/lattice/simple/materials.xml similarity index 100% rename from examples/lattice/simple/materials.xml rename to examples/xml/lattice/simple/materials.xml diff --git a/examples/lattice/simple/plots.xml b/examples/xml/lattice/simple/plots.xml similarity index 100% rename from examples/lattice/simple/plots.xml rename to examples/xml/lattice/simple/plots.xml diff --git a/examples/lattice/simple/settings.xml b/examples/xml/lattice/simple/settings.xml similarity index 100% rename from examples/lattice/simple/settings.xml rename to examples/xml/lattice/simple/settings.xml diff --git a/examples/lattice/simple/tallies.xml b/examples/xml/lattice/simple/tallies.xml similarity index 100% rename from examples/lattice/simple/tallies.xml rename to examples/xml/lattice/simple/tallies.xml diff --git a/examples/pincell/geometry.xml b/examples/xml/pincell/geometry.xml similarity index 100% rename from examples/pincell/geometry.xml rename to examples/xml/pincell/geometry.xml diff --git a/examples/pincell/materials.xml b/examples/xml/pincell/materials.xml similarity index 100% rename from examples/pincell/materials.xml rename to examples/xml/pincell/materials.xml diff --git a/examples/pincell/settings.xml b/examples/xml/pincell/settings.xml similarity index 100% rename from examples/pincell/settings.xml rename to examples/xml/pincell/settings.xml diff --git a/examples/pincell/tallies.xml b/examples/xml/pincell/tallies.xml similarity index 100% rename from examples/pincell/tallies.xml rename to examples/xml/pincell/tallies.xml diff --git a/examples/reflective/geometry.xml b/examples/xml/reflective/geometry.xml similarity index 100% rename from examples/reflective/geometry.xml rename to examples/xml/reflective/geometry.xml diff --git a/examples/reflective/materials.xml b/examples/xml/reflective/materials.xml similarity index 100% rename from examples/reflective/materials.xml rename to examples/xml/reflective/materials.xml diff --git a/examples/reflective/settings.xml b/examples/xml/reflective/settings.xml similarity index 100% rename from examples/reflective/settings.xml rename to examples/xml/reflective/settings.xml diff --git a/openmc/__init__.py b/openmc/__init__.py new file mode 100644 index 0000000000..d966a155a4 --- /dev/null +++ b/openmc/__init__.py @@ -0,0 +1,19 @@ +from openmc.element import * +from openmc.geometry import * +from openmc.nuclide import * +from openmc.material import * +from openmc.plots import * +from openmc.settings import * +from openmc.surface import * +from openmc.universe import * +from openmc.mesh import * +from openmc.filter import * +from openmc.trigger import * +from openmc.tallies import * +from openmc.cmfd import * +from openmc.executor import * + +try: + from openmc.opencg_compatible import * +except ImportError: + pass diff --git a/src/utils/convert_binary.py b/openmc/ace.py old mode 100755 new mode 100644 similarity index 88% rename from src/utils/convert_binary.py rename to openmc/ace.py index 48477c27ef..3606b1e947 --- a/src/utils/convert_binary.py +++ b/openmc/ace.py @@ -1,9 +1,5 @@ -#!/usr/bin/env python - from __future__ import division - from struct import pack -import sys def ascii_to_binary(ascii_file, binary_file): @@ -67,11 +63,3 @@ def ascii_to_binary(ascii_file, binary_file): # Close binary file binary.close() - -if __name__ == '__main__': - # Check for proper number of arguments - if len(sys.argv) < 3: - sys.exit('Usage: {0} ascii_file binary_file'.format(sys.argv[0])) - - # Convert ASCII file - ascii_to_binary(sys.argv[1], sys.argv[2]) diff --git a/openmc/checkvalue.py b/openmc/checkvalue.py new file mode 100644 index 0000000000..787052f5d6 --- /dev/null +++ b/openmc/checkvalue.py @@ -0,0 +1,247 @@ +from collections import Iterable +from numbers import Integral, Real + +import numpy as np + +def _isinstance(value, expected_type): + """A Numpy-aware replacement for isinstance + + This function will be obsolete when Numpy v. >= 1.9 is established. + """ + + # Declare numpy numeric types. + np_ints = (np.int_, np.intc, np.intp, np.int8, np.int16, np.int32, np.int64, + np.uint8, np.uint16, np.uint32, np.uint64) + np_floats = (np.float_, np.float16, np.float32, np.float64) + + # Include numpy integers, if necessary. + if type(expected_type) is tuple: + if Integral in expected_type: + expected_type = expected_type + np_ints + elif expected_type is Integral: + expected_type = (Integral, ) + np_ints + + # Include numpy floats, if necessary. + if type(expected_type) is tuple: + if Real in expected_type: + expected_type = expected_type + np_floats + elif expected_type is Real: + expected_type = (Real, ) + np_floats + + # Now, make the instance check. + return isinstance(value, expected_type) + +def check_type(name, value, expected_type, expected_iter_type=None): + """Ensure that an object is of an expected type. Optionally, if the object is + iterable, check that each element is of a particular type. + + Parameters + ---------- + name : str + Description of value being checked + value : object + Object to check type of + expected_type : type + type to check object against + expected_iter_type : type or None, optional + Expected type of each element in value, assuming it is iterable. If + None, no check will be performed. + + """ + + if not _isinstance(value, expected_type): + msg = 'Unable to set "{0}" to "{1}" which is not of type "{2}"'.format( + name, value, expected_type.__name__) + raise ValueError(msg) + + if expected_iter_type: + for item in value: + if not _isinstance(item, expected_iter_type): + msg = 'Unable to set "{0}" to "{1}" since each item must be ' \ + 'of type "{2}"'.format(name, value, + expected_iter_type.__name__) + raise ValueError(msg) + + +def check_iterable_type(name, value, expected_type, min_depth=1, max_depth=1): + """Ensure that an object is an iterable containing an expected type. + + Parameters + ---------- + name : str + Description of value being checked + value : Iterable + Iterable, possibly of other iterables, that should ultimately contain + the expected type + expected_type : type + type that the iterable should contain + min_depth : int + The minimum number of layers of nested iterables there should be before + reaching the ultimately contained items + max_depth : int + The maximum number of layers of nested iterables there should be before + reaching the ultimately contained items + """ + # Initialize the tree at the very first item. + tree = [value] + index = [0] + + # Traverse the tree. + while index[0] != len(tree[0]): + # If we are done with this level of the tree, go to the next branch on + # the level above this one. + if index[-1] == len(tree[-1]): + del index[-1] + del tree[-1] + index[-1] += 1 + continue + + # Get a string representation of the current index in case we raise an + # exception. + form = '[' + '{:d}, '*(len(index)-1) + '{:d}]' + ind_str = form.format(*index) + + # What is the current item we are looking at? + current_item = tree[-1][index[-1]] + + # If this item is of the expected type, then we've reached the bottom + # level of this branch. + if _isinstance(current_item, expected_type): + # Is this deep enough? + if len(tree) < min_depth: + msg = 'Error setting "{0}": The item at {1} does not meet the '\ + 'minimum depth of {2}'.format(name, ind_str, min_depth) + raise ValueError(msg) + + # This item is okay. Move on to the next item. + index[-1] += 1 + + # If this item is not of the expected type, then it's either an error or + # another level of the tree that we need to pursue deeper. + else: + if isinstance(current_item, Iterable): + # The tree goes deeper here, let's explore it. + tree.append(current_item) + index.append(0) + + # But first, have we exceeded the max depth? + if len(tree) > max_depth: + msg = 'Error setting {0}: Found an iterable at {1}, items '\ + 'in that iterable excceed the maximum depth of {2}' \ + .format(name, ind_str, max_depth) + raise ValueError(msg) + + else: + # This item is completely unexpected. + msg = "Error setting {0}: Items must be of type '{1}', but " \ + "item at {2} is of type '{3}'"\ + .format(name, expected_type.__name__, ind_str, + type(current_item).__name__) + raise ValueError(msg) + + +def check_length(name, value, length_min, length_max=None): + """Ensure that a sized object has length within a given range. + + Parameters + ---------- + name : str + Description of value being checked + value : collections.Sized + Object to check length of + length_min : int + Minimum length of object + length_max : int or None, optional + Maximum length of object. If None, it is assumed object must be of + length length_min. + + """ + + if length_max is None: + if len(value) != length_min: + msg = 'Unable to set "{0}" to "{1}" since it must be of ' \ + 'length "{2}"'.format(name, value, length_min) + raise ValueError(msg) + elif not length_min <= len(value) <= length_max: + if length_min == length_max: + msg = 'Unable to set "{0}" to "{1}" since it must be of ' \ + 'length "{2}"'.format(name, value, length_min) + else: + msg = 'Unable to set "{0}" to "{1}" since it must have length ' \ + 'between "{2}" and "{3}"'.format(name, value, length_min, + length_max) + raise ValueError(msg) + + +def check_value(name, value, accepted_values): + """Ensure that an object's value is contained in a set of acceptable values. + + Parameters + ---------- + name : str + Description of value being checked + value : collections.Iterable + Object to check + accepted_values : collections.Container + Container of acceptable values + + """ + + if value not in accepted_values: + msg = 'Unable to set "{0}" to "{1}" since it is not in "{2}"'.format( + name, value, accepted_values) + raise ValueError(msg) + +def check_less_than(name, value, maximum, equality=False): + """Ensure that an object's value is less than a given value. + + Parameters + ---------- + name : str + Description of the value being checked + value : object + Object to check + maximum : object + Maximum value to check against + equality : bool, optional + Whether equality is allowed. Defaluts to False. + + """ + + if equality: + if value > maximum: + msg = 'Unable to set "{0}" to "{1}" since it is greater than ' \ + '"{2}"'.format(name, value, maximum) + raise ValueError(msg) + else: + if value >= maximum: + msg = 'Unable to set "{0}" to "{1}" since it is greater than ' \ + 'or equal to "{2}"'.format(name, value, maximum) + raise ValueError(msg) + +def check_greater_than(name, value, minimum, equality=False): + """Ensure that an object's value is less than a given value. + + Parameters + ---------- + name : str + Description of the value being checked + value : object + Object to check + minimum : object + Minimum value to check against + equality : bool, optional + Whether equality is allowed. Defaluts to False. + + """ + + if equality: + if value < minimum: + msg = 'Unable to set "{0}" to "{1}" since it is less than ' \ + '"{2}"'.format(name, value, minimum) + raise ValueError(msg) + else: + if value <= minimum: + msg = 'Unable to set "{0}" to "{1}" since it is less than ' \ + 'or equal to "{2}"'.format(name, value, minimum) + raise ValueError(msg) diff --git a/openmc/clean_xml.py b/openmc/clean_xml.py new file mode 100644 index 0000000000..2bb3f39f1b --- /dev/null +++ b/openmc/clean_xml.py @@ -0,0 +1,93 @@ +def sort_xml_elements(tree): + + # Retrieve all children of the root XML node in the tree + elements = tree.getchildren() + + # Initialize empty lists for the sorted and comment elements + sorted_elements = [] + + # Initialize an empty set of tags (e.g., Surface, Cell, and Lattice) + tags = set() + + # Find the unique tags in the tree + for element in elements: + tags.add(element.tag) + + # Initialize an empty list for the comment elements + comment_elements = [] + + # Find the comment elements and record their ordering within the + # tree using a precedence with respect to the subsequent nodes + for index, element in enumerate(elements): + next_element = None + + if 'Comment' in str(element.tag): + + if index < len(elements)-1: + next_element = elements[index+1] + + comment_elements.append((element, next_element)) + + # Now iterate over all tags and order the elements within each tag + for tag in tags: + + # Retrieve all of the elements for this tag + try: + tagged_elements = tree.findall(tag) + except: + continue + + # Initialize an empty list of tuples to sort (id, element) + tagged_data = [] + + # Retrieve the IDs for each of the elements + for element in tagged_elements: + key = element.get('id') + + # If this element has an "ID" tag, append it to the list to sort + if not key is None: + tagged_data.append((key, element)) + + # Sort the elements according to the IDs for this tag + tagged_data.sort() + sorted_elements.extend(list(item[-1] for item in tagged_data)) + + # Add the comment elements while preserving the original precedence + for element, next_element in comment_elements: + index = sorted_elements.index(next_element) + sorted_elements.insert(index, element) + + # Remove all of the sorted elements from the tree + for element in sorted_elements: + tree.remove(element) + + # Add the sorted elements back to the tree in the proper order + tree.extend(sorted_elements) + + +def clean_xml_indentation(element, level=0): + """ + copy and paste from http://effbot.org/zone/elementent-lib.htm#prettyprint + it basically walks your tree and adds spaces and newlines so the tree is + printed in a nice way + """ + + i = "\n" + level*" " + + if len(element): + + if not element.text or not element.text.strip(): + element.text = i + " " + + if not element.tail or not element.tail.strip(): + element.tail = i + + for sub_element in element: + clean_xml_indentation(sub_element, level+1) + + if not sub_element.tail or not sub_element.tail.strip(): + sub_element.tail = i + + else: + if level and (not element.tail or not element.tail.strip()): + element.tail = i diff --git a/openmc/cmfd.py b/openmc/cmfd.py new file mode 100644 index 0000000000..c247719c94 --- /dev/null +++ b/openmc/cmfd.py @@ -0,0 +1,525 @@ +"""This module can be used to specify parameters used for coarse mesh finite +difference (CMFD) acceleration in OpenMC. CMFD was first proposed by [Smith]_ +and is widely used in accelerating neutron transport problems. + +References +---------- + +.. [Smith] K. Smith, "Nodal method storage reduction by non-linear + iteration", *Trans. Am. Nucl. Soc.*, **44**, 265 (1983). + +""" + +from collections import Iterable +from numbers import Real, Integral +from xml.etree import ElementTree as ET +import sys + +import numpy as np + +from openmc.clean_xml import * +from openmc.checkvalue import (check_type, check_length, check_value, + check_greater_than, check_less_than) + +if sys.version_info[0] >= 3: + basestring = str + + +class CMFDMesh(object): + """A structured Cartesian mesh used for Coarse Mesh Finite Difference (CMFD) + acceleration. + + Attributes + ---------- + lower_left : Iterable of float + The lower-left corner of the structured mesh. If only two coordinates are + given, it is assumed that the mesh is an x-y mesh. + upper_right : Iterable of float + The upper-right corner of the structrued mesh. If only two coordinates + are given, it is assumed that the mesh is an x-y mesh. + dimension : Iterable of int + The number of mesh cells in each direction. + width : Iterable of float + The width of mesh cells in each direction. + energy : Iterable of float + Energy bins in MeV, listed in ascending order (e.g. [0.0, 0.625e-7, + 20.0]) for CMFD tallies and acceleration. If no energy bins are listed, + OpenMC automatically assumes a one energy group calculation over the + entire energy range. + albedo : Iterable of float + Surface ratio of incoming to outgoing partial currents on global + boundary conditions. They are listed in the following order: -x +x -y +y + -z +z. + map : Iterable of int + An optional acceleration map can be specified to overlay on the coarse + mesh spatial grid. If this option is used, a ``1`` is used for a + non-accelerated region and a ``2`` is used for an accelerated region. + For a simple 4x4 coarse mesh with a 2x2 fuel lattice surrounded by + reflector, the map is: + + :: + + [1, 1, 1, 1, + 1, 2, 2, 1, + 1, 2, 2, 1, + 1, 1, 1, 1] + + Therefore a 2x2 system of equations is solved rather than a 4x4. This is + extremely important to use in reflectors as neutrons will not contribute + to any tallies far away from fission source neutron regions. A ``2`` + must be used to identify any fission source region. + +""" + + def __init__(self): + self._lower_left = None + self._upper_right = None + self._dimension = None + self._width = None + self._energy = None + self._albedo = None + self._map = None + + @property + def lower_left(self): + return self._lower_left + + @property + def upper_right(self): + return self._upper_right + + @property + def dimension(self): + return self._dimension + + @property + def width(self): + return self._width + + @property + def energy(self): + return self._energy + + @property + def albedo(self): + return self._albedo + + @property + def map(self): + return self._map + + @lower_left.setter + def lower_left(self, lower_left): + check_type('CMFD mesh lower_left', lower_left, Iterable, Real) + check_length('CMFD mesh lower_left', lower_left, 2, 3) + self._lower_left = lower_left + + @upper_right.setter + def upper_right(self, upper_right): + check_type('CMFD mesh upper_right', upper_right, Iterable, Real) + check_length('CMFD mesh upper_right', upper_right, 2, 3) + self._upper_right = upper_right + + @dimension.setter + def dimension(self, dimension): + check_type('CMFD mesh dimension', dimension, Iterable, Integral) + check_length('CMFD mesh dimension', dimension, 2, 3) + self._dimension = dimension + + @width.setter + def width(self, width): + check_type('CMFD mesh width', width, Iterable, Real) + check_length('CMFD mesh width', width, 2, 3) + self._width = width + + @energy.setter + def energy(self, energy): + check_type('CMFD mesh energy', energy, Iterable, Real) + for e in energy: + check_greater_than('CMFD mesh energy', e, 0, True) + self._energy = energy + + @albedo.setter + def albedo(self, albedo): + check_type('CMFD mesh albedo', albedo, Iterable, Real) + check_length('CMFD mesh albedo', albedo, 6) + for a in albedo: + check_greater_than('CMFD mesh albedo', a, 0, True) + check_less_than('CMFD mesh albedo', a, 1, True) + self._albedo = albedo + + @map.setter + def map(self, meshmap): + check_type('CMFD mesh map', meshmap, Iterable, Integral) + for m in meshmap: + check_value('CMFD mesh map', m, [1, 2]) + self._map = meshmap + + def _get_xml_element(self): + element = ET.Element("mesh") + + subelement = ET.SubElement(element, "lower_left") + subelement.text = ' '.join(map(str, self._lower_left)) + + if self.upper_right is not None: + subelement = ET.SubElement(element, "upper_right") + subelement.text = ' '.join(map(str, self.upper_right)) + + subelement = ET.SubElement(element, "dimension") + subelement.text = ' '.join(map(str, self.dimension)) + + if self.width is not None: + subelement = ET.SubElement(element, "width") + subelement.text = ' '.join(map(str, self.width)) + + if self.energy is not None: + subelement = ET.SubElement(element, "energy") + subelement.text = ' '.join(map(str, self.energy)) + + if self.albedo is not None: + subelement = ET.SubElement(element, "albedo") + subelement.text = ' '.join(map(str, self.albedo)) + + if self.map is not None: + subelement = ET.SubElement(element, "map") + subelement.text = ' '.join(map(str, self.map)) + + return element + + +class CMFDFile(object): + """Parameters that control the use of coarse-mesh finite difference acceleration + in OpenMC. This corresponds directly to the cmfd.xml input file. + + Attributes + ---------- + begin : int + Batch number at which CMFD calculations should begin + dhat_reset : bool + Indicate whether :math:`\widehat{D}` nonlinear CMFD parameters should be + reset to zero before solving CMFD eigenproblem. + display : {'balance', 'dominance', 'entropy', 'source'} + Set one additional CMFD output column. Options are: + + * "balance" - prints the RMS [%] of the resdiual from the neutron balance + equation on CMFD tallies. + * "dominance" - prints the estimated dominance ratio from the CMFD + iterations. + * "entropy" - prints the *entropy* of the CMFD predicted fission source. + * "source" - prints the RMS [%] between the OpenMC fission source and + CMFD fission source. + downscatter : bool + Indicate whether an effective downscatter cross section should be used + when using 2-group CMFD. + feedback : bool + Indicate or not the CMFD diffusion result is used to adjust the weight + of fission source neutrons on the next OpenMC batch. Defaults to False. + gauss_seidel_tolerance : Iterable of float + Two parameters specifying the absolute inner tolerance and the relative + inner tolerance for Gauss-Seidel iterations when performing CMFD. + ktol : float + Tolerance on the eigenvalue when performing CMFD power iteration + cmfd_mesh : CMFDMesh + Structured mesh to be used for acceleration + norm : float + Normalization factor applied to the CMFD fission source distribution + power_monitor : bool + View convergence of power iteration during CMFD acceleration + run_adjoint : bool + Perform adjoint calculation on the last batch + shift : float + Optional Wielandt shift parameter for accelerating power iterations. By + default, it is very large so there is effectively no impact. + spectral : float + Optional spectral radius that can be used to accelerate the convergence + of Gauss-Seidel iterations during CMFD power iteration. + stol : float + Tolerance on the fission source when performing CMFD power iteration + tally_reset : list of int + List of batch numbers at which CMFD tallies should be reset + write_matrices : bool + Write sparse matrices that are used during CMFD acceleration (loss, + production) to file + + """ + + def __init__(self): + self._begin = None + self._dhat_reset = None + self._display = None + self._downscatter = None + self._feedback = None + self._gauss_seidel_tolerance = None + self._ktol = None + self._cmfd_mesh = None + self._norm = None + self._power_monitor = None + self._run_adjoint = None + self._shift = None + self._spectral = None + self._stol = None + self._tally_reset = None + self._write_matrices = None + + self._cmfd_file = ET.Element("cmfd") + self._cmfd_mesh_element = None + + @property + def begin(self): + return self._begin + + @property + def dhat_reset(self): + return self._dhat_reset + + @property + def display(self): + return self._display + + @property + def downscatter(self): + return self._downscatter + + @property + def feedback(self): + return self._feedback + + @property + def gauss_seidel_tolerance(self): + return self._gauss_seidel_tolerance + + @property + def ktol(self): + return self._ktol + + @property + def cmfd_mesh(self): + return self._cmfd_mesh + + @property + def norm(self): + return self._norm + + @property + def power_monitor(self): + return self._power_monitor + + @property + def run_adjoint(self): + return self._run_adjoint + + @property + def shift(self): + return self._shift + + @property + def spectral(self): + return self._spectral + + @property + def stol(self): + return self._stol + + @property + def tally_reset(self): + return self._tally_reset + + @property + def write_matrices(self): + return self._write_matrices + + @begin.setter + def begin(self, begin): + check_type('CMFD begin batch', begin, Integral) + check_greater_than('CMFD begin batch', begin, 0) + self._begin = begin + + @dhat_reset.setter + def dhat_reset(self, dhat_reset): + check_type('CMFD Dhat reset', dhat_reset, bool) + self._dhat_reset = dhat_reset + + @display.setter + def display(self, display): + check_type('CMFD display', display, basestring) + check_value('CMFD display', display, + ['balance', 'dominance', 'entropy', 'source']) + self._display = display + + @downscatter.setter + def downscatter(self, downscatter): + check_type('CMFD downscatter', downscatter, bool) + self._downscatter = downscatter + + @feedback.setter + def feedback(self, feedback): + check_type('CMFD feedback', feedback, bool) + self._feedback = feedback + + @gauss_seidel_tolerance.setter + def gauss_seidel_tolerance(self, gauss_seidel_tolerance): + check_type('CMFD Gauss-Seidel tolerance', gauss_seidel_tolerance, + Iterable, Real) + check_length('Gauss-Seidel tolerance', gauss_seidel_tolerance, 2) + self._gauss_seidel_tolerance = gauss_seidel_tolerance + + @ktol.setter + def ktol(self, ktol): + check_type('CMFD eigenvalue tolerance', ktol, Real) + self._ktol = ktol + + @cmfd_mesh.setter + def cmfd_mesh(self, mesh): + check_type('CMFD mesh', mesh, CMFDMesh) + self._mesh = mesh + + @norm.setter + def norm(self, norm): + check_type('CMFD norm', norm, Real) + self._norm = norm + + @power_monitor.setter + def power_monitor(self, power_monitor): + check_type('CMFD power monitor', power_monitor, bool) + self._power_monitor = power_monitor + + @run_adjoint.setter + def run_adjoint(self, run_adjoint): + check_type('CMFD run adjoint', run_adjoint, bool) + self._run_adjoint = run_adjoint + + @shift.setter + def shift(self, shift): + check_type('CMFD Wielandt shift', shift, Real) + self._shift = shift + + @spectral.setter + def spectral(self, spectral): + check_type('CMFD spectral radius', spectral, Real) + self._spectral = spectral + + @stol.setter + def stol(self, stol): + check_type('CMFD fission source tolerance', stol, Real) + self._stol = stol + + @tally_reset.setter + def tally_reset(self, tally_reset): + check_type('tally reset batches', tally_reset, Iterable, Integral) + self._tally_reset = tally_reset + + @write_matrices.setter + def write_matrices(self, write_matrices): + check_type('CMFD write matrices', write_matrices, bool) + self._write_matrices = write_matrices + + def _create_begin_subelement(self): + if self._begin is not None: + element = ET.SubElement(self._cmfd_file, "begin") + element.text = str(self._begin) + + def _create_dhat_reset_subelement(self): + if self._dhat_reset is not None: + element = ET.SubElement(self._cmfd_file, "dhat_reset") + element.text = str(self._dhat_reset).lower() + + def _create_display_subelement(self): + if self._display is not None: + element = ET.SubElement(self._cmfd_file, "display") + element.text = str(self._display) + + def _create_downscatter_subelement(self): + if self._downscatter is not None: + element = ET.SubElement(self._cmfd_file, "downscatter") + element.text = str(self._downscatter).lower() + + def _create_feedback_subelement(self): + if self._feedback is not None: + element = ET.SubElement(self._cmfd_file, "feeback") + element.text = str(self._feedback).lower() + + def _create_gauss_seidel_tolerance_subelement(self): + if self._gauss_seidel_tolerance is not None: + element = ET.SubElement(self._cmfd_file, "gauss_seidel_tolerance") + element.text = ' '.join(map(str, self._gauss_seidel_tolerance)) + + def _create_ktol_subelement(self): + if self._ktol is not None: + element = ET.SubElement(self._ktol, "ktol") + element.text = str(self._ktol) + + def _create_mesh_subelement(self): + if self._mesh is not None: + xml_element = self._mesh._get_xml_element() + self._cmfd_file.append(xml_element) + + def _create_norm_subelement(self): + if self._norm is not None: + element = ET.SubElement(self._cmfd_file, "norm") + element.text = str(self._norm) + + def _create_power_monitor_subelement(self): + if self._power_monitor is not None: + element = ET.SubElement(self._cmfd_file, "power_monitor") + element.text = str(self._power_monitor).lower() + + def _create_run_adjoint_subelement(self): + if self._run_adjoint is not None: + element = ET.SubElement(self._cmfd_file, "run_adjoint") + element.text = str(self._run_adjoint).lower() + + def _create_shift_subelement(self): + if self._shift is not None: + element = ET.SubElement(self._shift, "shift") + element.text = str(self._shift) + + def _create_spectral_subelement(self): + if self._spectral is not None: + element = ET.SubElement(self._spectral, "spectral") + element.text = str(self._spectral) + + def _create_stol_subelement(self): + if self._stol is not None: + element = ET.SubElement(self._stol, "stol") + element.text = str(self._stol) + + def _create_tally_reset_subelement(self): + if self._tally_reset is not None: + element = ET.SubElement(self._tally_reset, "tally_reset") + element.text = ' '.join(map(str, self._tally_reset)) + + def _create_write_matrices_subelement(self): + if self._write_matrices is not None: + element = ET.SubElement(self._cmfd_file, "write_matrices") + element.text = str(self._write_matrices).lower() + + def export_to_xml(self): + """Create a cmfd.xml file using the class data that can be used for an OpenMC + simulation. + + """ + + self._create_begin_subelement() + self._create_dhat_reset_subelement() + self._create_display_subelement() + self._create_downscatter_subelement() + self._create_feedback_subelement() + self._create_gauss_seidel_tolerance_subelement() + self._create_ktol_subelement() + self._create_mesh_subelement() + self._create_norm_subelement() + self._create_power_monitor_subelement() + self._create_run_adjoint_subelement() + self._create_shift_subelement() + self._create_spectral_subelement() + self._create_stol_subelement() + self._create_tally_reset_subelement() + self._create_write_matrices_subelement() + + # Clean the indentation in the file to be user-readable + clean_xml_indentation(self._cmfd_file) + + # Write the XML Tree to the cmfd.xml file + tree = ET.ElementTree(self._cmfd_file) + tree.write("cmfd.xml", xml_declaration=True, + encoding='utf-8', method="xml") diff --git a/openmc/constants.py b/openmc/constants.py new file mode 100644 index 0000000000..a6b535e6d1 --- /dev/null +++ b/openmc/constants.py @@ -0,0 +1,123 @@ +"""Dictionaries of integer-to-string mappings from openmc/src/constants.F90""" + +SURFACE_TYPES = {1: 'x-plane', + 2: 'y-plane', + 3: 'z-plane', + 4: 'plane', + 5: 'x-cylinder', + 6: 'y-cylinder', + 7: 'z-cylinder', + 8: 'sphere', + 9: 'x-cone', + 10: 'y-cone', + 11: 'z-cone'} + +BC_TYPES = {0: 'transmission', + 1: 'vacuum', + 2: 'reflective', + 3: 'periodic'} + +FILL_TYPES = {1: 'normal', + 2: 'fill', + 3: 'lattice'} + +LATTICE_TYPES = {1: 'rectangular', + 2: 'hexagonal'} + +ESTIMATOR_TYPES = {1: 'analog', + 2: 'tracklength'} + +FILTER_TYPES = {1: 'universe', + 2: 'material', + 3: 'cell', + 4: 'cellborn', + 5: 'surface', + 6: 'mesh', + 7: 'energy', + 8: 'energyout', + 9: 'distribcell'} + +SCORE_TYPES = {-1: 'flux', + -2: 'total', + -3: 'scatter', + -4: 'nu-scatter', + -5: 'scatter-n', + -6: 'scatter-pn', + -7: 'nu-scatter-n', + -8: 'nu-scatter-pn', + -9: 'transport', + -10: 'n1n', + -11: 'absorption', + -12: 'fission', + -13: 'nu-fission', + -14: 'kappa-fission', + -15: 'current', + -16: 'flux-yn', + -17: 'total-yn', + -18: 'scatter-yn', + -19: 'nu-scatter-yn', + -20: 'events', + 1: '(n,total)', + 2: '(n,elastic)', + 4: '(n,level)', + 11: '(n,2nd)', + 16: '(n,2n)', + 17: '(n,3n)', + 18: '(n,fission)', + 19: '(n,f)', + 20: '(n,nf)', + 21: '(n,2nf)', + 22: '(n,na)', + 23: '(n,n3a)', + 24: '(n,2na)', + 25: '(n,3na)', + 28: '(n,np)', + 29: '(n,n2a)', + 30: '(n,2n2a)', + 32: '(n,nd)', + 33: '(n,nt)', + 34: '(n,nHe-3)', + 35: '(n,nd2a)', + 36: '(n,nt2a)', + 37: '(n,4n)', + 38: '(n,3nf)', + 41: '(n,2np)', + 42: '(n,3np)', + 44: '(n,n2p)', + 45: '(n,npa)', + 91: '(n,nc)', + 101: '(n,disappear)', + 102: '(n,gamma)', + 103: '(n,p)', + 104: '(n,d)', + 105: '(n,t)', + 106: '(n,3He)', + 107: '(n,a)', + 108: '(n,2a)', + 109: '(n,3a)', + 111: '(n,2p)', + 112: '(n,pa)', + 113: '(n,t2a)', + 114: '(n,d2a)', + 115: '(n,pd)', + 116: '(n,pt)', + 117: '(n,da)', + 201: '(n,Xn)', + 202: '(n,Xgamma)', + 203: '(n,Xp)', + 204: '(n,Xd)', + 205: '(n,Xt)', + 206: '(n,X3He)', + 207: '(n,Xa)', + 444: '(damage)', + 649: '(n,pc)', + 699: '(n,dc)', + 749: '(n,tc)', + 799: '(n,3Hec)', + 849: '(n,tc)'} +SCORE_TYPES.update({MT: '(n,n' + str(MT-50) + ')' for MT in range(51,91)}) +SCORE_TYPES.update({MT: '(n,p' + str(MT-600) + ')' for MT in range(600,649)}) +SCORE_TYPES.update({MT: '(n,d' + str(MT-650) + ')' for MT in range(650,699)}) +SCORE_TYPES.update({MT: '(n,t' + str(MT-700) + ')' for MT in range(700,749)}) +SCORE_TYPES.update({MT: '(n,3He' + str(MT-750) + ')' for MT in range(750,649)}) +SCORE_TYPES.update({MT: '(n,a' + str(MT-800) + ')' for MT in range(800,849)}) diff --git a/openmc/cross.py b/openmc/cross.py new file mode 100644 index 0000000000..735bb4cd26 --- /dev/null +++ b/openmc/cross.py @@ -0,0 +1,340 @@ +from openmc import Filter, Nuclide + + +class CrossScore(object): + """A special-purpose tally score used to encapsulate all combinations of two + tally's scores as a outer product for tally arithmetic. + + Parameters + ---------- + left_score : str or CrossScore + The left score in the outer product + right_score : str or CrossScore + The right score in the outer product + binary_op : str + The tally arithmetic binary operator (e.g., '+', '-', etc.) used to + combine two tally's scores with this CrossNuclide + + Attributes + ---------- + left_score : str or CrossScore + The left score in the outer product + right_score : str or CrossScore + The right score in the outer product + binary_op : str + The tally arithmetic binary operator (e.g., '+', '-', etc.) used to + combine two tally's scores with this CrossNuclide + + """ + + def __init__(self, left_score=None, right_score=None, binary_op=None): + + self._left_score = None + self._right_score = None + self._binary_op = None + + if left_score is not None: + self.left_score = left_score + if right_score is not None: + self.right_score = right_score + if binary_op is not None: + self.binary_op = binary_op + + @property + def left_score(self): + return self._left_score + + @property + def right_score(self): + return self._right_score + + @property + def binary_op(self): + return self._binary_op + + @left_score.setter + def left_score(self, left_score): + self._left_score = left_score + + @right_score.setter + def right_score(self, right_score): + self._right_score = right_score + + @binary_op.setter + def binary_op(self, binary_op): + self._binary_op = binary_op + + def __eq__(self, other): + return str(other) == str(self) + + def __repr__(self): + string = '({0} {1} {2})'.format(self.left_score, + self.binary_op, self.right_score) + return string + + +class CrossNuclide(object): + """A special-purpose nuclide used to encapsulate all combinations of two + tally's nuclides as a outer product for tally arithmetic. + + Parameters + ---------- + left_nuclide : Nuclide or CrossNuclide + The left nuclide in the outer product + right_nuclide : Nuclide or CrossNuclide + The right nuclide in the outer product + binary_op : str + The tally arithmetic binary operator (e.g., '+', '-', etc.) used to + combine two tally's nuclides with this CrossNuclide + + Attributes + ---------- + left_nuclide : Nuclide or CrossNuclide + The left nuclide in the outer product + right_nuclide : Nuclide or CrossNuclide + The right nuclide in the outer product + binary_op : str + The tally arithmetic binary operator (e.g., '+', '-', etc.) used to + combine two tally's nuclides with this CrossNuclide + + """ + + def __init__(self, left_nuclide=None, right_nuclide=None, binary_op=None): + + self._left_nuclide = None + self._right_nuclide = None + self._binary_op = None + + if left_nuclide is not None: + self.left_nuclide = left_nuclide + if right_nuclide is not None: + self.right_nuclide = right_nuclide + if binary_op is not None: + self.binary_op = binary_op + + @property + def left_nuclide(self): + return self._left_nuclide + + @property + def right_nuclide(self): + return self._right_nuclide + + @property + def binary_op(self): + return self._binary_op + + @left_nuclide.setter + def left_nuclide(self, left_nuclide): + self._left_nuclide = left_nuclide + + @right_nuclide.setter + def right_nuclide(self, right_nuclide): + self._right_nuclide = right_nuclide + + @binary_op.setter + def binary_op(self, binary_op): + self._binary_op = binary_op + + def __eq__(self, other): + return str(other) == str(self) + + def __repr__(self): + + string = '' + + # If the Summary was linked, the left nuclide is a Nuclide object + if isinstance(self.left_nuclide, Nuclide): + string += '(' + self.left_nuclide.name + # If the Summary was not linked, the left nuclide is the ZAID + else: + string += '(' + str(self.left_nuclide) + + string += ' ' + self.binary_op + ' ' + + # If the Summary was linked, the right nuclide is a Nuclide object + if isinstance(self.right_nuclide, Nuclide): + string += self.right_nuclide.name + ')' + # If the Summary was not linked, the right nuclide is the ZAID + else: + string += str(self.right_nuclide) + ')' + + return string + + +class CrossFilter(object): + """A special-purpose filter used to encapsulate all combinations of two + tally's filter bins as a outer product for tally arithmetic. + + Parameters + ---------- + left_filter : Filter or CrossFilter + The left filter in the outer product + right_filter : Filter or CrossFilter + The right filter in the outer product + binary_op : str + The tally arithmetic binary operator (e.g., '+', '-', etc.) used to + combine two tally's filter bins with this CrossFilter + + Attributes + ---------- + left_filter : Filter or CrossFilter + The left filter in the outer product + right_filter : Filter or CrossFilter + The right filter in the outer product + binary_op : str + The tally arithmetic binary operator (e.g., '+', '-', etc.) used to + combine two tally's filter bins with this CrossFilter + + """ + + def __init__(self, left_filter=None, right_filter=None, binary_op=None): + + left_type = left_filter.type + right_type = right_filter.type + self.type = '({0} {1} {2})'.format(left_type, binary_op, right_type) + + self._bins = {} + self._bins['left'] = left_filter.bins + self._bins['right'] = right_filter.bins + self._num_bins = left_filter.num_bins * right_filter.num_bins + + self._left_filter = None + self._right_filter = None + self._binary_op = None + + if left_filter is not None: + self.left_filter = left_filter + if right_filter is not None: + self.right_filter = right_filter + if binary_op is not None: + self.binary_op = binary_op + + def __hash__(self): + return hash((self.type, self.bins)) + + def __deepcopy__(self, memo): + existing = memo.get(id(self)) + + # If this is the first time we have tried to copy this object, create a copy + if existing is None: + clone = type(self).__new__(type(self)) + clone._left_filter = self.left_filter + clone._right_filter = self.right_filter + clone._type = self.type + clone._bins = self.bins + clone._num_bins = self.num_bins + memo[id(self)] = clone + + return clone + + # If this object has been copied before, return the first copy made + else: + return existing + + @property + def left_filter(self): + return self._left_filter + + @property + def right_filter(self): + return self._right_filter + + @property + def binary_op(self): + return self._binary_op + + @property + def type(self): + return self._type + + @property + def bins(self): + return (self._bins['left'], self._bins['right']) + + @property + def num_bins(self): + return self._num_bins + + @property + def stride(self): + return self.left_filter.stride * self.right_filter.stride + + @type.setter + def type(self, filter_type): + self._type = filter_type + + @left_filter.setter + def left_filter(self, left_filter): + self._left_filter = left_filter + + @right_filter.setter + def right_filter(self, right_filter): + self._right_filter = right_filter + + @binary_op.setter + def binary_op(self, binary_op): + self._binary_op = binary_op + + def __eq__(self, other): + return str(other) == str(self) + + def split_filters(self): + + split_filters = [] + + # If left Filter is not a CrossFilter, simply append to list + if isinstance(self.left_filter, Filter): + split_filters.append(self.left_filter) + # Recursively descend CrossFilter tree to collect all Filters + else: + split_filters.extend(self.left_filter.split_filters()) + + # If right Filter is not a CrossFilter, simply append to list + if isinstance(self.right_filter, Filter): + split_filters.append(self.right_filter) + # Recursively descend CrossFilter tree to collect all Filters + else: + split_filters.extend(self.right_filter.split_filters()) + + return split_filters + + def get_bin_index(self, filter_bin): + """Returns the index in the CrossFilter for some bin. + + Parameters + ---------- + filter_bin : 2-tuple + A 2-tuple where each value corresponds to the bin of interest + in the left and right filter, respectively. A bin is the integer + ID for 'material', 'surface', 'cell', 'cellborn', and 'universe' + Filters. The bin is an integer for the cell instance ID for + 'distribcell' Filters. The bin is a 2-tuple of floats for 'energy' + and 'energyout' filters corresponding to the energy boundaries of + the bin of interest. The bin is a (x,y,z) 3-tuple for 'mesh' + filters corresponding to the mesh cell of interest. + + Returns + ------- + filter_index : int + The index in the Tally data array for this filter bin. + + """ + + left_index = self.left_filter.get_bin_index(filter_bin[0]) + right_index = self.right_filter.get_bin_index(filter_bin[0]) + filter_index = left_index * self.right_filter.num_bins + right_index + return filter_index + + def __repr__(self): + + string = 'CrossFilter\n' + filter_type = '({0} {1} {2})'.format(self.left_filter.type, + self.binary_op, + self.right_filter.type) + filter_bins = '({0} {1} {2})'.format(self.left_filter.bins, + self.binary_op, + self.right_filter.bins) + string += '{0: <16}{1}{2}\n'.format('\tType', '=\t', filter_type) + string += '{0: <16}{1}{2}\n'.format('\tBins', '=\t', filter_bins) + return string diff --git a/openmc/element.py b/openmc/element.py new file mode 100644 index 0000000000..2f81b9f308 --- /dev/null +++ b/openmc/element.py @@ -0,0 +1,78 @@ +import sys + +from openmc.checkvalue import check_type + +if sys.version_info[0] >= 3: + basestring = str + + +class Element(object): + """A natural element used in a material via . Internally, OpenMC will + expand the natural element into isotopes based on the known natural + abundances. + + Parameters + ---------- + name : str + Chemical symbol of the element, e.g. Pu + xs : str + Cross section identifier, e.g. 71c + + Attributes + ---------- + name : str + Chemical symbol of the element, e.g. Pu + xs : str + Cross section identifier, e.g. 71c + + """ + + def __init__(self, name='', xs=None): + # Initialize class attributes + self._name = '' + self._xs = None + + # Set class attributes + self.name = name + + if xs is not None: + self.xs = xs + + def __eq__(self, element2): + # Check type + if not isinstance(element2, Element): + return False + + # Check name and xs + if self._name != element2._name: + return False + elif self._xs != element2._xs: + return False + else: + return True + + def __hash__(self): + return hash((self._name, self._xs)) + + @property + def xs(self): + return self._xs + + @property + def name(self): + return self._name + + @xs.setter + def xs(self, xs): + check_type('cross section identifier', xs, basestring) + self._xs = xs + + @name.setter + def name(self, name): + check_type('name', name, basestring) + self._name = name + + def __repr__(self): + string = 'Element - {0}\n'.format(self._name) + string += '{0: <16}{1}{2}\n'.format('\tXS', '=\t', self._xs) + return string diff --git a/openmc/executor.py b/openmc/executor.py new file mode 100644 index 0000000000..54c8a64c1a --- /dev/null +++ b/openmc/executor.py @@ -0,0 +1,128 @@ +from __future__ import print_function +import subprocess +from numbers import Integral +import os +import sys + +from openmc.checkvalue import check_type + +if sys.version_info[0] >= 3: + basestring = str + + +class Executor(object): + """Control execution of OpenMC + + Attributes + ---------- + working_directory : str + Path to working directory to run in + + """ + + def __init__(self): + self._working_directory = '.' + + def _run_openmc(self, command, output): + # Launch a subprocess to run OpenMC + p = subprocess.Popen(command, shell=True, + cwd=self._working_directory, + stdout=subprocess.PIPE) + + # Capture and re-print OpenMC output in real-time + while (True and output): + line = p.stdout.readline() + print(line, end='') + + # If OpenMC is finished, break loop + if not line and p.poll() != None: + break + + # Return the returncode (integer, zero if no problems encountered) + return p.returncode + + @property + def working_directory(self): + return self._working_directory + + @working_directory.setter + def working_directory(self, working_directory): + check_type("Executor's working directory", working_directory, + basestring) + if not os.path.isdir(working_directory): + msg = 'Unable to set Executor\'s working directory to "{0}" ' \ + 'which does not exist'.format(working_directory) + raise ValueError(msg) + + self._working_directory = working_directory + + def plot_geometry(self, output=True, openmc_exec='openmc'): + """Run OpenMC in plotting mode""" + + return self._run_openmc(openmc_exec + ' -p', output) + + def run_simulation(self, particles=None, threads=None, + geometry_debug=False, restart_file=None, + tracks=False, mpi_procs=1, output=True, + openmc_exec='openmc', mpi_exec=None): + """Run an OpenMC simulation. + + Parameters + ---------- + particles : int + Number of particles to simulate per generation + threads : int + Number of OpenMP threads + geometry_debug : bool + Turn on geometry debugging during simulation + restart_file : str + Path to restart file to use + tracks : bool + Write tracks for all particles + mpi_procs : int + Number of MPI processes + output : bool + Capture OpenMC output from standard out + openmc_exec : str + Path to OpenMC executable + + """ + + post_args = ' ' + pre_args = '' + + if isinstance(particles, Integral) and particles > 0: + post_args += '-n {0} '.format(particles) + + if isinstance(threads, Integral) and threads > 0: + post_args += '-s {0} '.format(threads) + + if geometry_debug: + post_args += '-g ' + + if isinstance(restart_file, basestring): + post_args += '-r {0} '.format(restart_file) + + if tracks: + post_args += '-t' + + if isinstance(mpi_procs, Integral) and mpi_procs > 1: + np_present = True + else: + np_present = False + + if mpi_exec is not None and isinstance(mpi_exec, basestring): + mpi_exec_present = True + else: + mpi_exec_present = False + + if np_present or mpi_exec_present: + if mpi_exec_present: + pre_args += mpi_exec + ' ' + else: + pre_args += 'mpirun ' + pre_args += '-n {0} '.format(mpi_procs) + + command = pre_args + openmc_exec + ' ' + post_args + + return self._run_openmc(command, output) diff --git a/openmc/filter.py b/openmc/filter.py new file mode 100644 index 0000000000..5a81906762 --- /dev/null +++ b/openmc/filter.py @@ -0,0 +1,342 @@ +from collections import Iterable +import copy +from numbers import Real, Integral + +import numpy as np + +from openmc import Mesh +from openmc.constants import * +from openmc.checkvalue import check_type, check_iterable_type, \ + check_greater_than + +class Filter(object): + """A filter used to constrain a tally to a specific criterion, e.g. only tally + events when the particle is in a certain cell and energy range. + + Parameters + ---------- + type : str + The type of the tally filter. Acceptable values are "universe", + "material", "cell", "cellborn", "surface", "mesh", "energy", + "energyout", and "distribcell". + bins : int or Iterable of int or Iterable of float + The bins for the filter. This takes on different meaning for different + filters. + + Attributes + ---------- + type : str + The type of the tally filter. + bins : int or Iterable of int or Iterable of float + The bins for the filter + + """ + + # Initialize Filter class attributes + def __init__(self, type=None, bins=None): + self.type = type + self._num_bins = 0 + self.bins = bins + self._mesh = None + self._offset = -1 + self._stride = None + + def __eq__(self, filter2): + # Check type + if self.type != filter2.type: + return False + + # Check number of bins + elif len(self.bins) != len(filter2.bins): + return False + + # Check bin edges + elif not np.allclose(self.bins, filter2.bins): + return False + + else: + return True + + def __hash__(self): + return hash((self._type, self._bins)) + + def __deepcopy__(self, memo): + existing = memo.get(id(self)) + + # If this is the first time we have tried to copy this object, create a copy + if existing is None: + clone = type(self).__new__(type(self)) + clone._type = self.type + clone._bins = copy.deepcopy(self.bins, memo) + clone._num_bins = self.num_bins + clone._mesh = copy.deepcopy(self.mesh, memo) + clone._offset = self.offset + clone._stride = self.stride + + memo[id(self)] = clone + + return clone + + # If this object has been copied before, return the first copy made + else: + return existing + + @property + def type(self): + return self._type + + @property + def bins(self): + return self._bins + + @property + def num_bins(self): + return self._num_bins + + @property + def mesh(self): + return self._mesh + + @property + def offset(self): + return self._offset + + @property + def stride(self): + return self._stride + + @type.setter + def type(self, type): + if type is None: + self._type = type + elif type not in FILTER_TYPES.values(): + msg = 'Unable to set Filter type to "{0}" since it is not one ' \ + 'of the supported types'.format(type) + raise ValueError(msg) + + self._type = type + + @bins.setter + def bins(self, bins): + if bins is None: + self.num_bins = 0 + elif self._type is None: + msg = 'Unable to set bins for Filter to "{0}" since ' \ + 'the Filter type has not yet been set'.format(bins) + raise ValueError(msg) + + # If the bin edge is a single value, it is a Cell, Material, etc. ID + if not isinstance(bins, Iterable): + bins = [bins] + + # If the bins are in a collection, convert it to a list + else: + bins = list(bins) + + if self.type in ['cell', 'cellborn', 'surface', 'material', + 'universe', 'distribcell']: + check_iterable_type('filter bins', bins, Integral) + for edge in bins: + check_greater_than('filter bin', edge, 0, equality=True) + + elif self._type in ['energy', 'energyout']: + for edge in bins: + if not isinstance(edge, Real): + msg = 'Unable to add bin edge "{0}" to a "{1}" Filter ' \ + 'since it is a non-integer or floating point ' \ + 'value'.format(edge, self.type) + raise ValueError(msg) + elif edge < 0.: + msg = 'Unable to add bin edge "{0}" to a "{1}" Filter ' \ + 'since it is a negative value'.format(edge, self.type) + raise ValueError(msg) + + # Check that bin edges are monotonically increasing + for index in range(len(bins)): + if index > 0 and bins[index] < bins[index-1]: + msg = 'Unable to add bin edges "{0}" to a "{1}" Filter ' \ + 'since they are not monotonically ' \ + 'increasing'.format(bins, self.type) + raise ValueError(msg) + + # mesh filters + elif self._type == 'mesh': + if not len(bins) == 1: + msg = 'Unable to add bins "{0}" to a mesh Filter since ' \ + 'only a single mesh can be used per tally'.format(bins) + raise ValueError(msg) + elif not isinstance(bins[0], Integral): + msg = 'Unable to add bin "{0}" to mesh Filter since it ' \ + 'is a non-integer'.format(bins[0]) + raise ValueError(msg) + elif bins[0] < 0: + msg = 'Unable to add bin "{0}" to mesh Filter since it ' \ + 'is a negative integer'.format(bins[0]) + raise ValueError(msg) + + # If all error checks passed, add bin edges + self._bins = np.array(bins) + + # FIXME + @num_bins.setter + def num_bins(self, num_bins): + check_type('filter num_bins', num_bins, Integral) + check_greater_than('filter num_bins', num_bins, 0, equality=True) + self._num_bins = num_bins + + @mesh.setter + def mesh(self, mesh): + check_type('filter mesh', mesh, Mesh) + + self._mesh = mesh + self.type = 'mesh' + self.bins = self.mesh.id + + @offset.setter + def offset(self, offset): + check_type('filter offset', offset, Integral) + self._offset = offset + + @stride.setter + def stride(self, stride): + check_type('filter stride', stride, Integral) + if stride < 0: + msg = 'Unable to set stride "{0}" for a "{1}" Filter since it ' \ + 'is a negative value'.format(stride, self.type) + raise ValueError(msg) + + self._stride = stride + + def can_merge(self, filter): + """Determine if filter can be merged with another. + + Parameters + ---------- + filter : Filter + Filter to compare with + + Returns + ------- + bool + Whether the filter can be merged + + """ + + if not isinstance(filter, Filter): + return False + + # Filters must be of the same type + elif self.type != filter.type: + return False + + # Distribcell filters cannot have more than one bin + elif self.type == 'distribcell': + return False + + # Mesh filters cannot have more than one bin + elif self.type == 'mesh': + return False + + # Different energy bins are not mergeable + elif 'energy' in self.type: + return False + + else: + return True + + def merge(self, filter): + """Merge this filter with another. + + Parameters + ---------- + filter : Filter + Filter to merge with + + Returns + ------- + merged_filter : Filter + Filter resulting from the merge + + """ + + if not self.can_merge(filter): + msg = 'Unable to merge "{0}" with "{1}" ' \ + 'filters'.format(self.type, filter.type) + raise ValueError(msg) + + # Create deep copy of filter to return as merged filter + merged_filter = copy.deepcopy(self) + + # Merge unique filter bins + merged_bins = list(set(self.bins + filter.bins)) + merged_filter.bins = merged_bins + merged_filter.num_bins = len(merged_bins) + + return merged_filter + + def get_bin_index(self, filter_bin): + """Returns the index in the Filter for some bin. + + Parameters + ---------- + filter_bin : int or tuple + The bin is the integer ID for 'material', 'surface', 'cell', + 'cellborn', and 'universe' Filters. The bin is an integer for the + cell instance ID for 'distribcell' Filters. The bin is a 2-tuple of + floats for 'energy' and 'energyout' filters corresponding to the + energy boundaries of the bin of interest. The bin is a (x,y,z) + 3-tuple for 'mesh' filters corresponding to the mesh cell of + interest. + + Returns + ------- + filter_index : int + The index in the Tally data array for this filter bin. + + """ + + try: + # Filter bins for a mesh are an (x,y,z) tuple + if self.type == 'mesh': + # Convert (x,y,z) to a single bin -- this is similar to + # subroutine mesh_indices_to_bin in openmc/src/mesh.F90. + if (len(self.mesh.dimension) == 3): + nx, ny, nz = self.mesh.dimension + val = (filter_bin[0] - 1) * ny * nz + \ + (filter_bin[1] - 1) * nz + \ + (filter_bin[2] - 1) + else: + nx, ny = self.mesh.dimension + val = (filter_bin[0] - 1) * ny + \ + (filter_bin[1] - 1) + + filter_index = val + + # Use lower energy bound to find index for energy Filters + elif self.type in ['energy', 'energyout']: + val = np.where(self.bins == filter_bin[0])[0][0] + filter_index = val + + # Filter bins for distribcell are the "IDs" of each unique placement + # of the Cell in the Geometry (integers starting at 0) + elif self.type == 'distribcell': + filter_index = filter_bin + + # Use ID for all other Filters (e.g., material, cell, etc.) + else: + val = np.where(self.bins == filter_bin)[0][0] + filter_index = val + + except ValueError: + msg = 'Unable to get the bin index for Filter since "{0}" ' \ + 'is not one of the bins'.format(filter_bin) + raise ValueError(msg) + + return filter_index + + def __repr__(self): + string = 'Filter\n' + string += '{0: <16}{1}{2}\n'.format('\tType', '=\t', self.type) + string += '{0: <16}{1}{2}\n'.format('\tBins', '=\t', self.bins) + string += '{0: <16}{1}{2}\n'.format('\tOffset', '=\t', self.offset) + return string diff --git a/openmc/geometry.py b/openmc/geometry.py new file mode 100644 index 0000000000..18fa698b50 --- /dev/null +++ b/openmc/geometry.py @@ -0,0 +1,211 @@ +from xml.etree import ElementTree as ET + +import openmc +from openmc.clean_xml import * +from openmc.checkvalue import check_type + +def reset_auto_ids(): + openmc.reset_auto_material_id() + openmc.reset_auto_surface_id() + openmc.reset_auto_cell_id() + openmc.reset_auto_universe_id() + + +class Geometry(object): + """Geometry representing a collection of surfaces, cells, and universes. + + Attributes + ---------- + root_universe : openmc.universe.Universe + Root universe which contains all others + + """ + + def __init__(self): + # Initialize Geometry class attributes + self._root_universe = None + self._offsets = {} + + @property + def root_universe(self): + return self._root_universe + + @root_universe.setter + def root_universe(self, root_universe): + check_type('root universe', root_universe, openmc.Universe) + if root_universe._id != 0: + msg = 'Unable to add root Universe "{0}" to Geometry since ' \ + 'it has ID="{1}" instead of ' \ + 'ID=0'.format(root_universe, root_universe._id) + raise ValueError(msg) + + self._root_universe = root_universe + + def get_offset(self, path, filter_offset): + """Returns the corresponding location in the results array for a given path and + filter number. This is primarily intended to post-processing result when + a distribcell filter is used. + + Parameters + ---------- + path : list + A list of IDs that form the path to the target. It should begin with + 0 for the base universe, and should cover every universe, cell, and + lattice passed through. For the case of the lattice, a tuple should + be provided to indicate which coordinates in the lattice should be + entered. This should be in the form: (lat_id, i_x, i_y, i_z) + filter_offset : int + An integer that specifies which offset map the filter is using + + Returns + ------- + offset : int + Location in the results array for the path and filter + + """ + + # Return memoize'd offset if possible + if (path, filter_offset) in self._offsets: + offset = self._offsets[(path, filter_offset)] + + # Begin recursive call to compute offset starting with the base Universe + else: + offset = self._root_universe.get_offset(path, filter_offset) + self._offsets[(path, filter_offset)] = offset + + # Return the final offset + return offset + + def get_all_cells(self): + """Return all cells defined + + Returns + ------- + list of openmc.universe.Cell + Cells in the geometry + + """ + + return self._root_universe.get_all_cells() + + def get_all_universes(self): + """Return all universes defined + + Returns + ------- + list of openmc.universe.Universe + Universes in the geometry + + """ + + return self._root_universe.get_all_universes() + + def get_all_nuclides(self): + """Return all nuclides assigned to a material in the geometry + + Returns + ------- + list of openmc.nuclide.Nuclide + Nuclides in the geometry + + """ + + nuclides = {} + materials = self.get_all_materials() + + for material in materials: + nuclides.update(material.get_all_nuclides()) + + return nuclides + + def get_all_materials(self): + """Return all materials assigned to a cell + + Returns + ------- + list of openmc.material.Material + Materials in the geometry + + """ + + material_cells = self.get_all_material_cells() + materials = set() + + for cell in material_cells: + materials.add(cell._fill) + + return list(materials) + + def get_all_material_cells(self): + all_cells = self.get_all_cells() + material_cells = set() + + for cell_id, cell in all_cells.items(): + if cell._type == 'normal': + material_cells.add(cell) + + return list(material_cells) + + def get_all_material_universes(self): + """Return all universes composed of at least one non-fill cell + + Returns + ------- + list of openmc.universe.Universe + Universes with non-fill cells + + """ + + all_universes = self.get_all_universes() + material_universes = set() + + for universe_id, universe in all_universes.items(): + cells = universe._cells + for cell_id, cell in cells.items(): + if cell._type == 'normal': + material_universes.add(universe) + + return list(material_universes) + + +class GeometryFile(object): + """Geometry file used for an OpenMC simulation. Corresponds directly to the + geometry.xml input file. + + Attributes + ---------- + geometry : Geometry + The geometry to be used + + """ + + def __init__(self): + # Initialize GeometryFile class attributes + self._geometry = None + self._geometry_file = ET.Element("geometry") + + @property + def geometry(self): + return self._geometry + + @geometry.setter + def geometry(self, geometry): + check_type('the geometry', geometry, Geometry) + self._geometry = geometry + + def export_to_xml(self): + """Create a geometry.xml file that can be used for a simulation. + + """ + + root_universe = self._geometry._root_universe + root_universe.create_xml_subelement(self._geometry_file) + + # Clean the indentation in the file to be user-readable + sort_xml_elements(self._geometry_file) + clean_xml_indentation(self._geometry_file) + + # Write the XML Tree to the geometry.xml file + tree = ET.ElementTree(self._geometry_file) + tree.write("geometry.xml", xml_declaration=True, + encoding='utf-8', method="xml") diff --git a/openmc/material.py b/openmc/material.py new file mode 100644 index 0000000000..e495357b54 --- /dev/null +++ b/openmc/material.py @@ -0,0 +1,590 @@ +from collections import Iterable +from copy import deepcopy +from numbers import Real, Integral +import warnings +from xml.etree import ElementTree as ET +import sys +if sys.version_info[0] >= 3: + basestring = str + +import openmc +from openmc.checkvalue import check_type, check_value, check_greater_than +from openmc.clean_xml import * + + +# A list of all IDs for all Materials created +MATERIAL_IDS = [] + +# A static variable for auto-generated Material IDs +AUTO_MATERIAL_ID = 10000 + + +def reset_auto_material_id(): + global AUTO_MATERIAL_ID, MATERIAL_IDS + AUTO_MATERIAL_ID = 10000 + MATERIAL_IDS = [] + + +# Units for density supported by OpenMC +DENSITY_UNITS = ['g/cm3', 'g/cc', 'kg/cm3', 'atom/b-cm', 'atom/cm3', 'sum'] + +# Constant for density when not needed +NO_DENSITY = 99999. + + +class Material(object): + """A material composed of a collection of nuclides/elements that can be assigned + to a region of space. + + Parameters + ---------- + material_id : int, optional + Unique identifier for the material. If not specified, an identifier will + automatically be assigned. + name : str, optional + Name of the material. If not specified, the name will be the empty + string. + + Attributes + ---------- + id : int + Unique identifier for the material + density : float + Density of the material (units defined separately) + density_units : str + Units used for `density`. Can be one of 'g/cm3', 'g/cc', 'kg/cm3', + 'atom/b-cm', 'atom/cm3', or 'sum'. + + """ + + def __init__(self, material_id=None, name=''): + # Initialize class attributes + self.id = material_id + self.name = name + self._density = None + self._density_units = '' + + # A dictionary of Nuclides + # Keys - Nuclide names + # Values - tuple (nuclide, percent, percent type) + self._nuclides = {} + + # A dictionary of Elements + # Keys - Element names + # Values - tuple (element, percent, percent type) + self._elements = {} + + # If specified, a list of tuples of (table name, xs identifier) + self._sab = [] + + # If true, the material will be initialized as distributed + self._convert_to_distrib_comps = False + + # If specified, this file will be used instead of composition values + self._distrib_otf_file = None + + @property + def id(self): + return self._id + + @property + def name(self): + return self._name + + @property + def density(self): + return self._density + + @property + def density_units(self): + return self._density_units + + @property + def convert_to_distrib_comps(self): + return self._convert_to_distrib_comps + + @property + def distrib_otf_file(self): + return self._distrib_otf_file + + @id.setter + def id(self, material_id): + global AUTO_MATERIAL_ID, MATERIAL_IDS + + # If the Material already has an ID, remove it from global list + if hasattr(self, '_id') and self._id is not None: + MATERIAL_IDS.remove(self._id) + + if material_id is None: + self._id = AUTO_MATERIAL_ID + MATERIAL_IDS.append(AUTO_MATERIAL_ID) + AUTO_MATERIAL_ID += 1 + else: + check_type('material ID', material_id, Integral) + if material_id in MATERIAL_IDS: + msg = 'Unable to set Material ID to "{0}" since a Material with ' \ + 'this ID was already initialized'.format(material_id) + raise ValueError(msg) + check_greater_than('material ID', material_id, 0) + + self._id = material_id + MATERIAL_IDS.append(material_id) + + @name.setter + def name(self, name): + check_type('name for Material ID="{0}"'.format(self._id), + name, basestring) + self._name = name + + def set_density(self, units, density=NO_DENSITY): + """Set the density of the material + + Parameters + ---------- + units : str + Physical units of density + density : float, optional + Value of the density. Must be specified unless units is given as + 'sum'. + + """ + + check_type('the density for Material ID="{0}"'.format(self._id), + density, Real) + check_value('density units', units, DENSITY_UNITS) + + if density == NO_DENSITY and units is not 'sum': + msg = 'Unable to set the density Material ID="{0}" ' \ + 'because a density must be set when not using ' \ + 'sum unit'.format(self._id) + raise ValueError(msg) + + self._density = density + self._density_units = units + + @distrib_otf_file.setter + def distrib_otf_file(self, filename): + # TODO: remove this when distributed materials are merged + warnings.warn('This feature is not yet implemented in a release ' + 'version of openmc') + + if not isinstance(filename, basestring) and filename is not None: + msg = 'Unable to add OTF material file to Material ID="{0}" with a ' \ + 'non-string name "{1}"'.format(self._id, filename) + raise ValueError(msg) + + self._distrib_otf_file = filename + + @convert_to_distrib_comps.setter + def convert_to_distrib_comps(self): + # TODO: remove this when distributed materials are merged + warnings.warn('This feature is not yet implemented in a release ' + 'version of openmc') + + self._convert_to_distrib_comps = True + + def add_nuclide(self, nuclide, percent, percent_type='ao'): + """Add a nuclide to the material + + Parameters + ---------- + nuclide : str or openmc.nuclide.Nuclide + Nuclide to add + percent : float + Atom or weight percent + percent_type : str + 'ao' for atom percent and 'wo' for weight percent + + """ + + if not isinstance(nuclide, (openmc.Nuclide, str)): + msg = 'Unable to add a Nuclide to Material ID="{0}" with a ' \ + 'non-Nuclide value "{1}"'.format(self._id, nuclide) + raise ValueError(msg) + + elif not isinstance(percent, Real): + msg = 'Unable to add a Nuclide to Material ID="{0}" with a ' \ + 'non-floating point value "{1}"'.format(self._id, percent) + raise ValueError(msg) + + elif percent_type not in ['ao', 'wo', 'at/g-cm']: + msg = 'Unable to add a Nuclide to Material ID="{0}" with a ' \ + 'percent type "{1}"'.format(self._id, percent_type) + raise ValueError(msg) + + if isinstance(nuclide, openmc.Nuclide): + # Copy this Nuclide to separate it from the Nuclide in + # other Materials + nuclide = deepcopy(nuclide) + else: + nuclide = openmc.Nuclide(nuclide) + + self._nuclides[nuclide._name] = (nuclide, percent, percent_type) + + def remove_nuclide(self, nuclide): + """Remove a nuclide from the material + + Parameters + ---------- + nuclide : openmc.nuclide.Nuclide + Nuclide to remove + + """ + + if not isinstance(nuclide, openmc.Nuclide): + msg = 'Unable to remove a Nuclide "{0}" in Material ID="{1}" ' \ + 'since it is not a Nuclide'.format(self._id, nuclide) + raise ValueError(msg) + + # If the Material contains the Nuclide, delete it + if nuclide._name in self._nuclides: + del self._nuclides[nuclide._name] + + def add_element(self, element, percent, percent_type='ao'): + """Add a natural element to the material + + Parameters + ---------- + element : openmc.element.Element + Element to add + percent : float + Atom or weight percent + percent_type : str + 'ao' for atom percent and 'wo' for weight percent + + """ + + if not isinstance(element, openmc.Element): + msg = 'Unable to add an Element to Material ID="{0}" with a ' \ + 'non-Element value "{1}"'.format(self._id, element) + raise ValueError(msg) + + if not isinstance(percent, Real): + msg = 'Unable to add an Element to Material ID="{0}" with a ' \ + 'non-floating point value "{1}"'.format(self._id, percent) + raise ValueError(msg) + + if percent_type not in ['ao', 'wo']: + msg = 'Unable to add an Element to Material ID="{0}" with a ' \ + 'percent type "{1}"'.format(self._id, percent_type) + raise ValueError(msg) + + # Copy this Element to separate it from same Element in other Materials + element = deepcopy(element) + + self._elements[element._name] = (element, percent, percent_type) + + def remove_element(self, element): + """Remove a natural element from the material + + Parameters + ---------- + element : openmc.element.Element + Element to remove + + """ + + # If the Material contains the Element, delete it + if element._name in self._elements: + del self._elements[element._name] + + def add_s_alpha_beta(self, name, xs): + r"""Add an :math:`S(\alpha,\beta)` table to the material + + Parameters + ---------- + name : str + Name of the :math:`S(\alpha,\beta)` table + xs : str + Cross section identifier, e.g. '71t' + + """ + + if not isinstance(name, basestring): + msg = 'Unable to add an S(a,b) table to Material ID="{0}" with a ' \ + 'non-string table name "{1}"'.format(self._id, name) + raise ValueError(msg) + + if not isinstance(xs, basestring): + msg = 'Unable to add an S(a,b) table to Material ID="{0}" with a ' \ + 'non-string cross-section identifier "{1}"'.format(self._id, xs) + raise ValueError(msg) + + self._sab.append((name, xs)) + + def get_all_nuclides(self): + """Returns all nuclides in the material + + Returns + ------- + nuclides : dict + Dictionary whose keys are nuclide names and values are 2-tuples of + (nuclide, density) + + """ + + nuclides = {} + + for nuclide_name, nuclide_tuple in self._nuclides.items(): + nuclide = nuclide_tuple[0] + density = nuclide_tuple[1] + nuclides[nuclide._name] = (nuclide, density) + + return nuclides + + def __repr__(self): + string = 'Material\n' + string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id) + string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name) + + string += '{0: <16}{1}{2}'.format('\tDensity', '=\t', self._density) + string += ' [{0}]\n'.format(self._density_units) + + string += '{0: <16}\n'.format('\tS(a,b) Tables') + + for sab in self._sab: + string += '{0: <16}{1}[{2}{3}]\n'.format('\tS(a,b)', '=\t', + sab[0], sab[1]) + + string += '{0: <16}\n'.format('\tNuclides') + + for nuclide in self._nuclides: + percent = self._nuclides[nuclide][1] + percent_type = self._nuclides[nuclide][2] + string += '{0: <16}'.format('\t{0}'.format(nuclide)) + string += '=\t{0: <12} [{1}]\n'.format(percent, percent_type) + + string += '{0: <16}\n'.format('\tElements') + + for element in self._elements: + percent = self._nuclides[element][1] + percent_type = self._nuclides[element][2] + string += '{0: >16}'.format('\t{0}'.format(element)) + string += '=\t{0: <12} [{1}]\n'.format(percent, percent_type) + + return string + + def _get_nuclide_xml(self, nuclide, distrib=False): + xml_element = ET.Element("nuclide") + xml_element.set("name", nuclide[0]._name) + + if not distrib: + if nuclide[2] is 'ao': + xml_element.set("ao", str(nuclide[1])) + else: + xml_element.set("wo", str(nuclide[1])) + + if nuclide[0]._xs is not None: + xml_element.set("xs", nuclide[0]._xs) + + return xml_element + + def _get_element_xml(self, element, distrib=False): + xml_element = ET.Element("element") + xml_element.set("name", str(element[0]._name)) + + if not distrib: + if element[2] is 'ao': + xml_element.set("ao", str(element[1])) + else: + xml_element.set("wo", str(element[1])) + + return xml_element + + def _get_nuclides_xml(self, nuclides, distrib=False): + xml_elements = [] + + for nuclide in nuclides.values(): + xml_elements.append(self._get_nuclide_xml(nuclide, distrib)) + + return xml_elements + + def _get_elements_xml(self, elements, distrib=False): + xml_elements = [] + + for element in elements.values(): + xml_elements.append(self._get_element_xml(element, distrib)) + + return xml_elements + + def get_material_xml(self): + """Return XML representation of the material + + Returns + ------- + element : xml.etree.ElementTree.Element + XML element containing material data + + """ + + # Create Material XML element + element = ET.Element("material") + element.set("id", str(self._id)) + + if len(self._name) > 0: + element.set("name", str(self._name)) + + # Create density XML subelement + subelement = ET.SubElement(element, "density") + if self._density_units is not 'sum': + subelement.set("value", str(self._density)) + subelement.set("units", self._density_units) + + if not self._convert_to_distrib_comps: + # Create nuclide XML subelements + subelements = self._get_nuclides_xml(self._nuclides) + for subelement in subelements: + element.append(subelement) + + # Create element XML subelements + subelements = self._get_elements_xml(self._elements) + for subelement in subelements: + element.append(subelement) + + else: + subelement = ET.SubElement(element, "compositions") + + comps = [] + allnucs = self._nuclides.values() + self._elements.values() + dist_per_type = allnucs[0][2] + for nuc, per, typ in allnucs: + if not typ == dist_per_type: + msg = 'All nuclides and elements in a distributed ' \ + 'material must have the same type, either ao or wo' + raise ValueError(msg) + comps.append(per) + + if self._distrib_otf_file is None: + # Create values and units subelements + subsubelement = ET.SubElement(subelement, "values") + subsubelement.text = ' '.join([str(c) for c in comps]) + subsubelement = ET.SubElement(subelement, "units") + subsubelement.text = dist_per_type + else: + # Specify the materials file + subsubelement = ET.SubElement(subelement, "otf_file_path") + subsubelement.text = self._distrib_otf_file + + # Create nuclide XML subelements + subelements = self.get_nuclides_xml(self._nuclides, distrib=True) + for subelement_nuc in subelements: + subelement.append(subelement_nuc) + + # Create element XML subelements + subelements = self._get_elements_xml(self._elements, distrib=True) + for subelement_ele in subelements: + subelement.append(subelement_ele) + + if len(self._sab) > 0: + for sab in self._sab: + subelement = ET.SubElement(element, "sab") + subelement.set("name", sab[0]) + subelement.set("xs", sab[1]) + + return element + + +class MaterialsFile(object): + """Materials file used for an OpenMC simulation. Corresponds directly to the + materials.xml input file. + + Attributes + ---------- + default_xs : str + The default cross section identifier applied to a nuclide when none is + specified + + """ + + def __init__(self): + # Initialize MaterialsFile class attributes + self._materials = [] + self._default_xs = None + self._materials_file = ET.Element("materials") + + @property + def default_xs(self): + return self._default_xs + + @default_xs.setter + def default_xs(self, xs): + check_type('default xs', xs, basestring) + self._default_xs = xs + + def add_material(self, material): + """Add a material to the file. + + Parameters + ---------- + material : Material + Material to add + + """ + + if not isinstance(material, Material): + msg = 'Unable to add a non-Material "{0}" to the ' \ + 'MaterialsFile'.format(material) + raise ValueError(msg) + + self._materials.append(material) + + def add_materials(self, materials): + """Add multiple materials to the file. + + Parameters + ---------- + materials : tuple or list of Material + Materials to add + + """ + + if not isinstance(materials, Iterable): + msg = 'Unable to create OpenMC materials.xml file from "{0}" which ' \ + 'is not iterable'.format(materials) + raise ValueError(msg) + + for material in materials: + self.add_material(material) + + def remove_material(self, material): + """Remove a material from the file + + Parameters + ---------- + material : Material + Material to remove + + """ + + if not isinstance(material, Material): + msg = 'Unable to remove a non-Material "{0}" from the ' \ + 'MaterialsFile'.format(material) + raise ValueError(msg) + + self._materials.remove(material) + + def _create_material_subelements(self): + subelement = ET.SubElement(self._materials_file, "default_xs") + + if self._default_xs is not None: + subelement.text = self._default_xs + + for material in self._materials: + xml_element = material.get_material_xml() + self._materials_file.append(xml_element) + + def export_to_xml(self): + """Create a materials.xml file that can be used for a simulation. + + """ + + self._create_material_subelements() + + # Clean the indentation in the file to be user-readable + sort_xml_elements(self._materials_file) + clean_xml_indentation(self._materials_file) + + # Write the XML Tree to the materials.xml file + tree = ET.ElementTree(self._materials_file) + tree.write("materials.xml", xml_declaration=True, + encoding='utf-8', method="xml") diff --git a/openmc/mesh.py b/openmc/mesh.py new file mode 100644 index 0000000000..7e907aaa57 --- /dev/null +++ b/openmc/mesh.py @@ -0,0 +1,225 @@ +from collections import Iterable +import copy +from numbers import Real, Integral +from xml.etree import ElementTree as ET +import sys + +from openmc.checkvalue import (check_type, check_length, check_value, + check_greater_than) + +if sys.version_info[0] >= 3: + basestring = str + +# "Static" variable for auto-generated and Mesh IDs +AUTO_MESH_ID = 10000 + + +def reset_auto_mesh_id(): + global AUTO_MESH_ID + AUTO_MESH_ID = 10000 + + +class Mesh(object): + """A structured Cartesian mesh in two or three dimensions + + Parameters + ---------- + mesh_id : int + Unique identifier for the mesh + name : str + Name of the mesh + + Attributes + ---------- + id : int + Unique identifier for the mesh + name : str + Name of the mesh + type : str + Type of the mesh + dimension : Iterable of int + The number of mesh cells in each direction. + lower_left : Iterable of float + The lower-left corner of the structured mesh. If only two coordinate are + given, it is assumed that the mesh is an x-y mesh. + upper_right : Iterable of float + The upper-right corner of the structrued mesh. If only two coordinate + are given, it is assumed that the mesh is an x-y mesh. + width : Iterable of float + The width of mesh cells in each direction. + + """ + + def __init__(self, mesh_id=None, name=''): + # Initialize Mesh class attributes + self.id = mesh_id + self.name = name + self._type = 'rectangular' + self._dimension = None + self._lower_left = None + self._upper_right = None + self._width = None + + def __eq__(self, mesh2): + # Check type + if self._type != mesh2._type: + return False + + # Check dimension + elif self._dimension != mesh2._dimension: + return False + + # Check width + elif self._width != mesh2._width: + return False + + # Check lower left / upper right + elif self._lower_left != mesh2._lower_left and \ + self._upper_right != mesh2._upper_right: + return False + + else: + return True + + def __deepcopy__(self, memo): + existing = memo.get(id(self)) + + # If this is the first time we have tried to copy this object, create a copy + if existing is None: + clone = type(self).__new__(type(self)) + clone._id = self._id + clone._name = self._name + clone._type = self._type + clone._dimension = copy.deepcopy(self._dimension, memo) + clone._lower_left = copy.deepcopy(self._lower_left, memo) + clone._upper_right = copy.deepcopy(self._upper_right, memo) + clone._width = copy.deepcopy(self._width, memo) + + memo[id(self)] = clone + + return clone + + # If this object has been copied before, return the first copy made + else: + return existing + + @property + def id(self): + return self._id + + @property + def name(self): + return self._name + + @property + def type(self): + return self._type + + @property + def dimension(self): + return self._dimension + + @property + def lower_left(self): + return self._lower_left + + @property + def upper_right(self): + return self._upper_right + + @property + def width(self): + return self._width + + @property + def num_mesh_cells(self): + return np.prod(self._dimension) + + @id.setter + def id(self, mesh_id): + if mesh_id is None: + global AUTO_MESH_ID + self._id = AUTO_MESH_ID + AUTO_MESH_ID += 1 + else: + check_type('mesh ID', mesh_id, Integral) + check_greater_than('mesh ID', mesh_id, 0) + self._id = mesh_id + + @name.setter + def name(self, name): + check_type('name for mesh ID="{0}"'.format(self._id), name, basestring) + self._name = name + + @type.setter + def type(self, meshtype): + check_type('type for mesh ID="{0}"'.format(self._id), + meshtype, basestring) + check_value('type for mesh ID="{0}"'.format(self._id), + meshtype, ['rectangular', 'hexagonal']) + self._type = meshtype + + @dimension.setter + def dimension(self, dimension): + check_type('mesh dimension', dimension, Iterable, Integral) + check_length('mesh dimension', dimension, 2, 3) + self._dimension = dimension + + @lower_left.setter + def lower_left(self, lower_left): + check_type('mesh lower_left', lower_left, Iterable, Real) + check_length('mesh lower_left', lower_left, 2, 3) + self._lower_left = lower_left + + @upper_right.setter + def upper_right(self, upper_right): + check_type('mesh upper_right', upper_right, Iterable, Real) + check_length('mesh upper_right', upper_right, 2, 3) + self._upper_right = upper_right + + @width.setter + def width(self, width): + check_type('mesh width', width, Iterable, Real) + check_length('mesh width', width, 2, 3) + self._width = width + + def __repr__(self): + string = 'Mesh\n' + string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id) + string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name) + string += '{0: <16}{1}{2}\n'.format('\tType', '=\t', self._type) + string += '{0: <16}{1}{2}\n'.format('\tBasis', '=\t', self._dimension) + string += '{0: <16}{1}{2}\n'.format('\tWidth', '=\t', self._lower_left) + string += '{0: <16}{1}{2}\n'.format('\tOrigin', '=\t', self._upper_right) + string += '{0: <16}{1}{2}\n'.format('\tPixels', '=\t', self._width) + return string + + def get_mesh_xml(self): + """Return XML representation of the mesh + + Returns + ------- + element : xml.etree.ElementTree.Element + XML element containing mesh data + + """ + + element = ET.Element("mesh") + element.set("id", str(self._id)) + element.set("type", self._type) + + subelement = ET.SubElement(element, "dimension") + subelement.text = ' '.join(map(str, self._dimension)) + + subelement = ET.SubElement(element, "lower_left") + subelement.text = ' '.join(map(str, self._lower_left)) + + if self._upper_right is not None: + subelement = ET.SubElement(element, "upper_right") + subelement.text = ' '.join(map(str, self._upper_right)) + + if self._width is not None: + subelement = ET.SubElement(element, "width") + subelement.text = ' '.join(map(str, self._width)) + + return element diff --git a/openmc/nuclide.py b/openmc/nuclide.py new file mode 100644 index 0000000000..7e7cd5af35 --- /dev/null +++ b/openmc/nuclide.py @@ -0,0 +1,95 @@ +from numbers import Integral +import sys + +from openmc.checkvalue import check_type + +if sys.version_info[0] >= 3: + basestring = str + + +class Nuclide(object): + """A nuclide that can be used in a material. + + Parameters + ---------- + name : str + Name of the nuclide, e.g. U-235 + xs : str + Cross section identifier, e.g. 71c + + Attributes + ---------- + name : str + Name of the nuclide, e.g. U-235 + xs : str + Cross section identifier, e.g. 71c + zaid : int + 1000*(atomic number) + mass number. As an example, the zaid of U-235 + would be 92235. + + """ + + def __init__(self, name='', xs=None): + # Initialize class attributes + self._name = '' + self._xs = None + self._zaid = None + + # Set the Material class attributes + self.name = name + + if xs is not None: + self.xs = xs + + def __eq__(self, nuclide2): + # Check type + if not isinstance(nuclide2, Nuclide): + return False + + # Check name + elif self._name != nuclide2._name: + return False + + # Check xs + elif self._xs != nuclide2._xs: + return False + + else: + return True + + def __hash__(self): + return hash((self._name, self._xs)) + + @property + def name(self): + return self._name + + @property + def xs(self): + return self._xs + + @property + def zaid(self): + return self._zaid + + @name.setter + def name(self, name): + check_type('name', name, basestring) + self._name = name + + @xs.setter + def xs(self, xs): + check_type('cross-section identifier', xs, basestring) + self._xs = xs + + @zaid.setter + def zaid(self, zaid): + check_type('zaid', zaid, Integral) + self._zaid = zaid + + def __repr__(self): + string = 'Nuclide - {0}\n'.format(self._name) + string += '{0: <16}{1}{2}\n'.format('\tXS', '=\t', self._xs) + if self._zaid is not None: + string += '{0: <16}{1}{2}\n'.format('\tZAID', '=\t', self._zaid) + return string diff --git a/openmc/opencg_compatible.py b/openmc/opencg_compatible.py new file mode 100644 index 0000000000..65e980c003 --- /dev/null +++ b/openmc/opencg_compatible.py @@ -0,0 +1,1076 @@ +import copy + +import numpy as np + +try: + import opencg +except ImportError: + msg = 'Unable to import opencg which is needed by openmc.opencg_compatible' + raise ImportError(msg) + +import openmc + + +# A dictionary of all OpenMC Materials created +# Keys - Material IDs +# Values - Materials +OPENMC_MATERIALS = {} + +# A dictionary of all OpenCG Materials created +# Keys - Material IDs +# Values - Materials +OPENCG_MATERIALS = {} + +# A dictionary of all OpenMC Surfaces created +# Keys - Surface IDs +# Values - Surfaces +OPENMC_SURFACES = {} + +# A dictionary of all OpenCG Surfaces created +# Keys - Surface IDs +# Values - Surfaces +OPENCG_SURFACES = {} + +# A dictionary of all OpenMC Cells created +# Keys - Cell IDs +# Values - Cells +OPENMC_CELLS = {} + +# A dictionary of all OpenCG Cells created +# Keys - Cell IDs +# Values - Cells +OPENCG_CELLS = {} + +# A dictionary of all OpenMC Universes created +# Keys - Universes IDs +# Values - Universes +OPENMC_UNIVERSES = {} + +# A dictionary of all OpenCG Universes created +# Keys - Universes IDs +# Values - Universes +OPENCG_UNIVERSES = {} + +# A dictionary of all OpenMC Lattices created +# Keys - Lattice IDs +# Values - Lattices +OPENMC_LATTICES = {} + +# A dictionary of all OpenCG Lattices created +# Keys - Lattice IDs +# Values - Lattices +OPENCG_LATTICES = {} + + +def get_opencg_material(openmc_material): + """Return an OpenCG material corresponding to an OpenMC material. + + Parameters + ---------- + openmc_material : openmc.material.Material + OpenMC material + + Returns + ------- + opencg_material : opencg.Material + Equivalent OpenCG material + + """ + + if not isinstance(openmc_material, openmc.Material): + msg = 'Unable to create an OpenCG Material from "{0}" ' \ + 'which is not an OpenMC Material'.format(openmc_material) + raise ValueError(msg) + + global OPENCG_MATERIALS + material_id = openmc_material._id + + # If this Material was already created, use it + if material_id in OPENCG_MATERIALS: + return OPENCG_MATERIALS[material_id] + + # Create an OpenCG Material to represent this OpenMC Material + name = openmc_material._name + opencg_material = opencg.Material(material_id=material_id, name=name) + + # Add the OpenMC Material to the global collection of all OpenMC Materials + OPENMC_MATERIALS[material_id] = openmc_material + + # Add the OpenCG Material to the global collection of all OpenCG Materials + OPENCG_MATERIALS[material_id] = opencg_material + + return opencg_material + + +def get_openmc_material(opencg_material): + """Return an OpenMC material corresponding to an OpenCG material. + + Parameters + ---------- + opencg_material : opencg.Material + OpenCG material + + Returns + ------- + openmc_material : openmc.material.Material + Equivalent OpenMC material + + """ + + if not isinstance(opencg_material, opencg.Material): + msg = 'Unable to create an OpenMC Material from "{0}" ' \ + 'which is not an OpenCG Material'.format(opencg_material) + raise ValueError(msg) + + global OPENMC_MATERIALS + material_id = opencg_material._id + + # If this Material was already created, use it + if material_id in OPENMC_MATERIALS: + return OPENMC_MATERIALS[material_id] + + # Create an OpenMC Material to represent this OpenCG Material + name = opencg_material._name + openmc_material = openmc.Material(material_id=material_id, name=name) + + # Add the OpenMC Material to the global collection of all OpenMC Materials + OPENMC_MATERIALS[material_id] = openmc_material + + # Add the OpenCG Material to the global collection of all OpenCG Materials + OPENCG_MATERIALS[material_id] = opencg_material + + return openmc_material + + +def is_opencg_surface_compatible(opencg_surface): + """Determine whether OpenCG surface is compatible with OpenMC geometry. + + A surface is considered compatible if there is a one-to-one correspondence + between OpenMC and OpenCG surface types. Note that some OpenCG surfaces, + e.g. SquarePrism, do not have a one-to-one correspondence with OpenMC + surfaces but can still be converted into an equivalent collection of OpenMC + surfaces. + + Parameters + ---------- + opencg_surface : opencg.Surface + OpenCG surface + + Returns + ------- + bool + Whether OpenCG surface is compatible with OpenMC + + """ + + if not isinstance(opencg_surface, opencg.Surface): + msg = 'Unable to check if OpenCG Surface is compatible' \ + 'since "{0}" is not a Surface'.format(opencg_surface) + raise ValueError(msg) + + if opencg_surface._type in ['x-squareprism', + 'y-squareprism', 'z-squareprism']: + return False + else: + return True + + +def get_opencg_surface(openmc_surface): + """Return an OpenCG surface corresponding to an OpenMC surface. + + Parameters + ---------- + openmc_surface : openmc.surface.Surface + OpenMC surface + + Returns + ------- + opencg_surface : opencg.Surface + Equivalent OpenCG surface + + """ + + if not isinstance(openmc_surface, openmc.Surface): + msg = 'Unable to create an OpenCG Surface from "{0}" ' \ + 'which is not an OpenMC Surface'.format(openmc_surface) + raise ValueError(msg) + + global OPENCG_SURFACES + surface_id = openmc_surface._id + + # If this Material was already created, use it + if surface_id in OPENCG_SURFACES: + return OPENCG_SURFACES[surface_id] + + # Create an OpenCG Surface to represent this OpenMC Surface + name = openmc_surface._name + + # Correct for OpenMC's syntax for Surfaces dividing Cells + boundary = openmc_surface._boundary_type + if boundary == 'transmission': + boundary = 'interface' + + opencg_surface = None + + if openmc_surface._type == 'plane': + A = openmc_surface._coeffs['A'] + B = openmc_surface._coeffs['B'] + C = openmc_surface._coeffs['C'] + D = openmc_surface._coeffs['D'] + opencg_surface = opencg.Plane(surface_id, name, boundary, A, B, C, D) + + elif openmc_surface._type == 'x-plane': + x0 = openmc_surface._coeffs['x0'] + opencg_surface = opencg.XPlane(surface_id, name, boundary, x0) + + elif openmc_surface._type == 'y-plane': + y0 = openmc_surface._coeffs['y0'] + opencg_surface = opencg.YPlane(surface_id, name, boundary, y0) + + elif openmc_surface._type == 'z-plane': + z0 = openmc_surface._coeffs['z0'] + opencg_surface = opencg.ZPlane(surface_id, name, boundary, z0) + + elif openmc_surface._type == 'x-cylinder': + y0 = openmc_surface._coeffs['y0'] + z0 = openmc_surface._coeffs['z0'] + R = openmc_surface._coeffs['R'] + opencg_surface = opencg.XCylinder(surface_id, name, + boundary, y0, z0, R) + + elif openmc_surface._type == 'y-cylinder': + x0 = openmc_surface._coeffs['x0'] + z0 = openmc_surface._coeffs['z0'] + R = openmc_surface._coeffs['R'] + opencg_surface = opencg.YCylinder(surface_id, name, + boundary, x0, z0, R) + + elif openmc_surface._type == 'z-cylinder': + x0 = openmc_surface._coeffs['x0'] + y0 = openmc_surface._coeffs['y0'] + R = openmc_surface._coeffs['R'] + opencg_surface = opencg.ZCylinder(surface_id, name, + boundary, x0, y0, R) + + # Add the OpenMC Surface to the global collection of all OpenMC Surfaces + OPENMC_SURFACES[surface_id] = openmc_surface + + # Add the OpenCG Surface to the global collection of all OpenCG Surfaces + OPENCG_SURFACES[surface_id] = opencg_surface + + return opencg_surface + + +def get_openmc_surface(opencg_surface): + """Return an OpenMC surface corresponding to an OpenCG surface. + + Parameters + ---------- + opencg_surface : opencg.Surface + OpenCG surface + + Returns + ------- + openmc_surface : openmc.surface.Surface + Equivalent OpenMC surface + + """ + + if not isinstance(opencg_surface, opencg.Surface): + msg = 'Unable to create an OpenMC Surface from "{0}" which ' \ + 'is not an OpenCG Surface'.format(opencg_surface) + raise ValueError(msg) + + global openmc_surface + surface_id = opencg_surface._id + + # If this Surface was already created, use it + if surface_id in OPENMC_SURFACES: + return OPENMC_SURFACES[surface_id] + + # Create an OpenMC Surface to represent this OpenCG Surface + name = opencg_surface._name + + # Correct for OpenMC's syntax for Surfaces dividing Cells + boundary = opencg_surface._boundary_type + if boundary == 'interface': + boundary = 'transmission' + + if opencg_surface._type == 'plane': + A = opencg_surface._coeffs['A'] + B = opencg_surface._coeffs['B'] + C = opencg_surface._coeffs['C'] + D = opencg_surface._coeffs['D'] + openmc_surface = openmc.Plane(surface_id, boundary, A, B, C, D, name) + + elif opencg_surface._type == 'x-plane': + x0 = opencg_surface._coeffs['x0'] + openmc_surface = openmc.XPlane(surface_id, boundary, x0, name) + + elif opencg_surface._type == 'y-plane': + y0 = opencg_surface._coeffs['y0'] + openmc_surface = openmc.YPlane(surface_id, boundary, y0, name) + + elif opencg_surface._type == 'z-plane': + z0 = opencg_surface._coeffs['z0'] + openmc_surface = openmc.ZPlane(surface_id, boundary, z0, name) + + elif opencg_surface._type == 'x-cylinder': + y0 = opencg_surface._coeffs['y0'] + z0 = opencg_surface._coeffs['z0'] + R = opencg_surface._coeffs['R'] + openmc_surface = openmc.XCylinder(surface_id, boundary, y0, z0, R, name) + + elif opencg_surface._type == 'y-cylinder': + x0 = opencg_surface._coeffs['x0'] + z0 = opencg_surface._coeffs['z0'] + R = opencg_surface._coeffs['R'] + openmc_surface = openmc.YCylinder(surface_id, boundary, x0, z0, R, name) + + elif opencg_surface._type == 'z-cylinder': + x0 = opencg_surface._coeffs['x0'] + y0 = opencg_surface._coeffs['y0'] + R = opencg_surface._coeffs['R'] + openmc_surface = openmc.ZCylinder(surface_id, boundary, x0, y0, R, name) + + else: + msg = 'Unable to create an OpenMC Surface from an OpenCG ' \ + 'Surface of type "{0}" since it is not a compatible ' \ + 'Surface type in OpenMC'.format(opencg_surface._type) + raise ValueError(msg) + + # Add the OpenMC Surface to the global collection of all OpenMC Surfaces + OPENMC_SURFACES[surface_id] = openmc_surface + + # Add the OpenCG Surface to the global collection of all OpenCG Surfaces + OPENCG_SURFACES[surface_id] = opencg_surface + + return openmc_surface + + +def get_compatible_opencg_surfaces(opencg_surface): + """Generate OpenCG surfaces that are compatible with OpenMC equivalent to an + OpenCG surface that is not compatible. For example, this method may be used + to convert a ZSquarePrism OpenCG surface into a collection of equivalent + XPlane and YPlane OpenCG surfaces. + + Parameters + ---------- + opencg_surface : opencg.Surface + OpenCG surface that is incompatible with OpenMC + + Returns + ------- + surfaces : list of opencg.Surface + Collection of surfaces equivalent to the original one but compatible + with OpenMC + + """ + + if not isinstance(opencg_surface, opencg.Surface): + msg = 'Unable to create an OpenMC Surface from "{0}" which ' \ + 'is not an OpenCG Surface'.format(opencg_surface) + raise ValueError(msg) + + global OPENMC_SURFACES + surface_id = opencg_surface._id + + # If this Surface was already created, use it + if surface_id in OPENMC_SURFACES: + return OPENMC_SURFACES[surface_id] + + # Create an OpenMC Surface to represent this OpenCG Surface + name = opencg_surface._name + boundary = opencg_surface._boundary_type + + if opencg_surface._type == 'x-squareprism': + y0 = opencg_surface._coeffs['y0'] + z0 = opencg_surface._coeffs['z0'] + R = opencg_surface._coeffs['R'] + + # Create a list of the four planes we need + left = opencg.YPlane(name=name, boundary=boundary, y0=y0-R) + right = opencg.YPlane(name=name, boundary=boundary, y0=y0+R) + bottom = opencg.ZPlane(name=name, boundary=boundary, z0=z0-R) + top = opencg.ZPlane(name=name, boundary=boundary, z0=z0+R) + surfaces = [left, right, bottom, top] + + elif opencg_surface._type == 'y-squareprism': + x0 = opencg_surface._coeffs['x0'] + z0 = opencg_surface._coeffs['z0'] + R = opencg_surface._coeffs['R'] + + # Create a list of the four planes we need + left = opencg.XPlane(name=name, boundary=boundary, x0=x0-R) + right = opencg.XPlane(name=name, boundary=boundary, x0=x0+R) + bottom = opencg.ZPlane(name=name, boundary=boundary, z0=z0-R) + top = opencg.ZPlane(name=name, boundary=boundary, z0=z0+R) + surfaces = [left, right, bottom, top] + + elif opencg_surface._type == 'z-squareprism': + x0 = opencg_surface._coeffs['x0'] + y0 = opencg_surface._coeffs['y0'] + R = opencg_surface._coeffs['R'] + + # Create a list of the four planes we need + left = opencg.XPlane(name=name, boundary=boundary, x0=x0-R) + right = opencg.XPlane(name=name, boundary=boundary, x0=x0+R) + bottom = opencg.YPlane(name=name, boundary=boundary, y0=y0-R) + top = opencg.YPlane(name=name, boundary=boundary, y0=y0+R) + surfaces = [left, right, bottom, top] + + else: + msg = 'Unable to create a compatible OpenMC Surface an OpenCG ' \ + 'Surface of type "{0}" since it already a compatible ' \ + 'Surface type in OpenMC'.format(opencg_surface._type) + raise ValueError(msg) + + # Add the OpenMC Surface(s) to the global collection of all OpenMC Surfaces + OPENMC_SURFACES[surface_id] = surfaces + + # Add the OpenCG Surface to the global collection of all OpenCG Surfaces + OPENCG_SURFACES[surface_id] = opencg_surface + + return surfaces + + +def get_opencg_cell(openmc_cell): + """Return an OpenCG cell corresponding to an OpenMC cell. + + Parameters + ---------- + openmc_cell : openmc.universe.Cell + OpenMC cell + + Returns + ------- + opencg_cell : opencg.Cell + Equivalent OpenCG cell + + """ + + if not isinstance(openmc_cell, openmc.Cell): + msg = 'Unable to create an OpenCG Cell from "{0}" which ' \ + 'is not an OpenMC Cell'.format(openmc_cell) + raise ValueError(msg) + + global OPENCG_CELLS + cell_id = openmc_cell._id + + # If this Cell was already created, use it + if cell_id in OPENCG_CELLS: + return OPENCG_CELLS[cell_id] + + # Create an OpenCG Cell to represent this OpenMC Cell + name = openmc_cell._name + opencg_cell = opencg.Cell(cell_id, name) + + fill = openmc_cell._fill + + if (openmc_cell._type == 'normal'): + opencg_cell.setFill(get_opencg_material(fill)) + elif (openmc_cell._type == 'fill'): + opencg_cell.setFill(get_opencg_universe(fill)) + else: + opencg_cell.setFill(get_opencg_lattice(fill)) + + if openmc_cell._rotation is not None: + opencg_cell.setRotation(openmc_cell._rotation) + + if openmc_cell._translation is not None: + opencg_cell.setTranslation(openmc_cell._translation) + + surfaces = openmc_cell._surfaces + + for surface_id in surfaces: + surface = surfaces[surface_id][0] + halfspace = surfaces[surface_id][1] + opencg_cell.addSurface(get_opencg_surface(surface), halfspace) + + # Add the OpenMC Cell to the global collection of all OpenMC Cells + OPENMC_CELLS[cell_id] = openmc_cell + + # Add the OpenCG Cell to the global collection of all OpenCG Cells + OPENCG_CELLS[cell_id] = opencg_cell + + return opencg_cell + + +def get_compatible_opencg_cells(opencg_cell, opencg_surface, halfspace): + """Generate OpenCG cells that are compatible with OpenMC equivalent to an OpenCG + cell that is not compatible. + + Parameters + ---------- + opencg_cell : opencg.Cell + OpenCG cell + opencg_surface : opencg.Surface + OpenCG surface that causes the incompatibility, e.g. an instance of + XSquarePrism + halfspace : {-1, 1} + Which halfspace defined by the surface is contained in the cell + + Returns + ------- + compatible_cells : list of opencg.Cell + Collection of cells equivalent to the original one but compatible with + OpenMC + + """ + if not isinstance(opencg_cell, opencg.Cell): + msg = 'Unable to create compatible OpenMC Cell from "{0}" which ' \ + 'is not an OpenCG Cell'.format(opencg_cell) + raise ValueError(msg) + + elif not isinstance(opencg_surface, opencg.Surface): + msg = 'Unable to create compatible OpenMC Cell since "{0}" is ' \ + 'not an OpenCG Surface'.format(opencg_surface) + raise ValueError(msg) + + elif halfspace not in [-1, +1]: + msg = 'Unable to create compatible Cell since "{0}"' \ + 'is not a +/-1 halfspace'.format(halfspace) + raise ValueError(msg) + + # Initialize an empty list for the new compatible cells + compatible_cells = [] + + # SquarePrism Surfaces + if opencg_surface._type in ['x-squareprism', 'y-squareprism', + 'z-squareprism']: + + # Get the compatible Surfaces (XPlanes and YPlanes) + compatible_surfaces = get_compatible_opencg_surfaces(opencg_surface) + + opencg_cell.removeSurface(opencg_surface) + + # If Cell is inside SquarePrism, add "inside" of Surface halfspaces + if halfspace == -1: + opencg_cell.addSurface(compatible_surfaces[0], +1) + opencg_cell.addSurface(compatible_surfaces[1], -1) + opencg_cell.addSurface(compatible_surfaces[2], +1) + opencg_cell.addSurface(compatible_surfaces[3], -1) + compatible_cells.append(opencg_cell) + + # If Cell is outside SquarePrism, add "outside" of Surface halfspaces + else: + # Create 8 Cell clones to represent each of the disjoint planar + # Surface halfspace intersections + num_clones = 8 + + for clone_id in range(num_clones): + # Create a cloned OpenCG Cell with Surfaces compatible with OpenMC + clone = opencg_cell.clone() + compatible_cells.append(clone) + + # Top left subcell - add left XPlane, top YPlane + if clone_id == 0: + clone.add_surface(compatible_surfaces[0], -1) + clone.add_surface(compatible_surfaces[3], +1) + + # Top center subcell - add top YPlane, left/right XPlanes + elif clone_id == 1: + clone.add_surface(compatible_surfaces[0], +1) + clone.add_surface(compatible_surfaces[1], -1) + clone.add_surface(compatible_surfaces[3], +1) + + # Top right subcell - add top YPlane, right XPlane + elif clone_id == 2: + clone.add_surface(compatible_surfaces[1], +1) + clone.add_surface(compatible_surfaces[3], +1) + + # Right center subcell - add right XPlane, top/bottom YPlanes + elif clone_id == 3: + clone.add_surface(compatible_surfaces[1], +1) + clone.add_surface(compatible_surfaces[3], -1) + clone.add_surface(compatible_surfaces[2], +1) + + # Bottom right subcell - add right XPlane, bottom YPlane + elif clone_id == 4: + clone.add_surface(compatible_surfaces[1], +1) + clone.add_surface(compatible_surfaces[2], -1) + + # Bottom center subcell - add bottom YPlane, left/right XPlanes + elif clone_id == 5: + clone.add_surface(compatible_surfaces[0], +1) + clone.add_surface(compatible_surfaces[1], -1) + clone.add_surface(compatible_surfaces[2], -1) + + # Bottom left subcell - add bottom YPlane, left XPlane + elif clone_id == 6: + clone.add_surface(compatible_surfaces[0], -1) + clone.add_surface(compatible_surfaces[2], -1) + + # Left center subcell - add left XPlane, top/bottom YPlanes + elif clone_id == 7: + clone.add_surface(compatible_surfaces[0], -1) + clone.add_surface(compatible_surfaces[3], -1) + clone.add_surface(compatible_surfaces[2], +1) + + # Remove redundant Surfaces from the Cells + for cell in compatible_cells: + cell.removeRedundantSurfaces() + + # Return the list of OpenMC compatible OpenCG Cells + return compatible_cells + + +def make_opencg_cells_compatible(opencg_universe): + """Make all cells in an OpenCG universe compatible with OpenMC. + + Parameters + ---------- + opencg_universe : opencg.Universe + Universe to check + + """ + + if not isinstance(opencg_universe, opencg.Universe): + msg = 'Unable to make compatible OpenCG Cells for "{0}" which ' \ + 'is not an OpenCG Universe'.format(opencg_universe) + raise ValueError(msg) + + # Check all OpenCG Cells in this Universe for compatibility with OpenMC + opencg_cells = opencg_universe._cells + + for cell_id, opencg_cell in opencg_cells.items(): + + # Check each of the OpenCG Surfaces for OpenMC compatibility + surfaces = opencg_cell._surfaces + + for surface_id in surfaces: + surface = surfaces[surface_id][0] + halfspace = surfaces[surface_id][1] + + # If this Surface is not compatible with OpenMC, create compatible + # OpenCG cells with a compatible version of this OpenCG Surface + if not is_opencg_surface_compatible(surface): + + # Get one or more OpenCG Cells that are compatible with OpenMC + # NOTE: This does not necessarily make OpenCG fully compatible. + # It only removes the incompatible Surface and replaces it with + # compatible OpenCG Surface(s). The recursive call at the end + # of this block is necessary in the event that there are more + # incompatible Surfaces in this Cell that are not accounted for. + cells = get_compatible_opencg_cells(opencg_cell, + surface, halfspace) + + # Remove the non-compatible OpenCG Cell from the Universe + opencg_universe.removeCell(opencg_cell) + + # Add the compatible OpenCG Cells to the Universe + opencg_universe.addCells(cells) + + # Make recursive call to look at the updated state of the + # OpenCG Universe and return + return make_opencg_cells_compatible(opencg_universe) + + # If all OpenCG Cells in the OpenCG Universe are compatible, return + return + + +def get_openmc_cell(opencg_cell): + """Return an OpenMC cell corresponding to an OpenCG cell. + + Parameters + ---------- + opencg_cell : opencg.Cell + OpenCG cell + + Returns + ------- + openmc_cell : openmc.universe.Cell + Equivalent OpenMC cell + + """ + + if not isinstance(opencg_cell, opencg.Cell): + msg = 'Unable to create an OpenMC Cell from "{0}" which ' \ + 'is not an OpenCG Cell'.format(opencg_cell) + raise ValueError(msg) + + global OPENMC_CELLS + cell_id = opencg_cell._id + + # If this Cell was already created, use it + if cell_id in OPENMC_CELLS: + return OPENMC_CELLS[cell_id] + + # Create an OpenCG Cell to represent this OpenMC Cell + name = opencg_cell._name + openmc_cell = openmc.Cell(cell_id, name) + + fill = opencg_cell._fill + + if (opencg_cell._type == 'universe'): + openmc_cell.fill = get_openmc_universe(fill) + elif (opencg_cell._type == 'lattice'): + openmc_cell.fill = get_openmc_lattice(fill) + else: + openmc_cell.fill = get_openmc_material(fill) + + if opencg_cell._rotation: + rotation = np.asarray(opencg_cell._rotation, dtype=np.int) + openmc_cell.rotation = rotation + + if opencg_cell._translation: + translation = np.asarray(opencg_cell._translation, dtype=np.float64) + openmc_cell.setTranslation(translation) + + surfaces = opencg_cell._surfaces + + for surface_id in surfaces: + surface = surfaces[surface_id][0] + halfspace = surfaces[surface_id][1] + openmc_cell.add_surface(get_openmc_surface(surface), halfspace) + + # Add the OpenMC Cell to the global collection of all OpenMC Cells + OPENMC_CELLS[cell_id] = openmc_cell + + # Add the OpenCG Cell to the global collection of all OpenCG Cells + OPENCG_CELLS[cell_id] = opencg_cell + + return openmc_cell + + +def get_opencg_universe(openmc_universe): + """Return an OpenCG universe corresponding to an OpenMC universe. + + Parameters + ---------- + openmc_universe : openmc.universe.Universe + OpenMC universe + + Returns + ------- + opencg_universe : opencg.Universe + Equivalent OpenCG universe + + """ + + if not isinstance(openmc_universe, openmc.Universe): + msg = 'Unable to create an OpenCG Universe from "{0}" which ' \ + 'is not an OpenMC Universe'.format(openmc_universe) + raise ValueError(msg) + + global OPENCG_UNIVERSES + universe_id = openmc_universe._id + + # If this Universe was already created, use it + if universe_id in OPENCG_UNIVERSES: + return OPENCG_UNIVERSES[universe_id] + + # Create an OpenCG Universe to represent this OpenMC Universe + name = openmc_universe._name + opencg_universe = opencg.Universe(universe_id, name) + + # Convert all OpenMC Cells in this Universe to OpenCG Cells + openmc_cells = openmc_universe._cells + + for cell_id, openmc_cell in openmc_cells.items(): + opencg_cell = get_opencg_cell(openmc_cell) + opencg_universe.addCell(opencg_cell) + + # Add the OpenMC Universe to the global collection of all OpenMC Universes + OPENMC_UNIVERSES[universe_id] = openmc_universe + + # Add the OpenCG Universe to the global collection of all OpenCG Universes + OPENCG_UNIVERSES[universe_id] = opencg_universe + + return opencg_universe + + +def get_openmc_universe(opencg_universe): + """Return an OpenMC universe corresponding to an OpenCG universe. + + Parameters + ---------- + opencg_universe : opencg.Universe + OpenCG universe + + Returns + ------- + openmc_universe : openmc.universe.Universe + Equivalent OpenMC universe + + """ + + if not isinstance(opencg_universe, opencg.Universe): + msg = 'Unable to create an OpenMC Universe from "{0}" which ' \ + 'is not an OpenCG Universe'.format(opencg_universe) + raise ValueError(msg) + + global OPENMC_UNIVERSES + universe_id = opencg_universe._id + + # If this Universe was already created, use it + if universe_id in OPENMC_UNIVERSES: + return OPENMC_UNIVERSES[universe_id] + + # Make all OpenCG Cells and Surfaces in this Universe compatible with OpenMC + make_opencg_cells_compatible(opencg_universe) + + # Create an OpenMC Universe to represent this OpenCSg Universe + name = opencg_universe._name + openmc_universe = openmc.Universe(universe_id, name) + + # Convert all OpenCG Cells in this Universe to OpenMC Cells + opencg_cells = opencg_universe._cells + + for cell_id, opencg_cell in opencg_cells.items(): + openmc_cell = get_openmc_cell(opencg_cell) + openmc_universe.add_cell(openmc_cell) + + # Add the OpenMC Universe to the global collection of all OpenMC Universes + OPENMC_UNIVERSES[universe_id] = openmc_universe + + # Add the OpenCG Universe to the global collection of all OpenCG Universes + OPENCG_UNIVERSES[universe_id] = opencg_universe + + return openmc_universe + + +def get_opencg_lattice(openmc_lattice): + """Return an OpenCG lattice corresponding to an OpenMC lattice. + + Parameters + ---------- + openmc_lattice : openmc.universe.Lattice + OpenMC lattice + + Returns + ------- + opencg_lattice : opencg.Lattice + Equivalent OpenCG lattice + + """ + + if not isinstance(openmc_lattice, openmc.Lattice): + msg = 'Unable to create an OpenCG Lattice from "{0}" which ' \ + 'is not an OpenMC Lattice'.format(openmc_lattice) + raise ValueError(msg) + + global OPENCG_LATTICES + lattice_id = openmc_lattice._id + + # If this Lattice was already created, use it + if lattice_id in OPENCG_LATTICES: + return OPENCG_LATTICES[lattice_id] + + # Create an OpenCG Lattice to represent this OpenMC Lattice + name = openmc_lattice.name + dimension = openmc_lattice.dimension + pitch = openmc_lattice.pitch + lower_left = openmc_lattice.lower_left + universes = openmc_lattice.universes + + if len(pitch) == 2: + new_pitch = np.ones(3, dtype=np.float64) + new_pitch[:2] = pitch + pitch = new_pitch + + if len(lower_left) == 2: + new_lower_left = np.ones(3, dtype=np.float64) + new_lower_left[:2] = lower_left + lower_left = new_lower_left + + # Initialize an empty array for the OpenCG nested Universes in this Lattice + universe_array = np.ndarray(tuple(np.array(dimension)[::-1]), + dtype=opencg.Universe) + + # Create OpenCG Universes for each unique nested Universe in this Lattice + unique_universes = openmc_lattice.get_unique_universes() + + for universe_id, universe in unique_universes.items(): + unique_universes[universe_id] = get_opencg_universe(universe) + + # Build the nested Universe array + for z in range(dimension[2]): + for y in range(dimension[1]): + for x in range(dimension[0]): + universe_id = universes[x][dimension[1]-y-1][z]._id + universe_array[z][y][x] = unique_universes[universe_id] + + opencg_lattice = opencg.Lattice(lattice_id, name) + opencg_lattice.setDimension(dimension) + opencg_lattice.setWidth(pitch) + opencg_lattice.setUniverses(universe_array) + + offset = np.array(lower_left, dtype=np.float64) - \ + ((np.array(pitch, dtype=np.float64) * + np.array(dimension, dtype=np.float64))) / -2.0 + opencg_lattice.setOffset(offset) + + # Add the OpenMC Lattice to the global collection of all OpenMC Lattices + OPENMC_LATTICES[lattice_id] = openmc_lattice + + # Add the OpenCG Lattice to the global collection of all OpenCG Lattices + OPENCG_LATTICES[lattice_id] = opencg_lattice + + return opencg_lattice + + +def get_openmc_lattice(opencg_lattice): + """Return an OpenMC lattice corresponding to an OpenCG lattice. + + Parameters + ---------- + opencg_lattice : opencg.Lattice + OpenCG lattice + + Returns + ------- + openmc_lattice : openmc.universe.Lattice + Equivalent OpenMC lattice + + """ + + if not isinstance(opencg_lattice, opencg.Lattice): + msg = 'Unable to create an OpenMC Lattice from "{0}" which ' \ + 'is not an OpenCG Lattice'.format(opencg_lattice) + raise ValueError(msg) + + global OPENMC_LATTICES + lattice_id = opencg_lattice._id + + # If this Lattice was already created, use it + if lattice_id in OPENMC_LATTICES: + return OPENMC_LATTICES[lattice_id] + + dimension = opencg_lattice._dimension + width = opencg_lattice._width + offset = opencg_lattice._offset + universes = opencg_lattice._universes + + # Initialize an empty array for the OpenMC nested Universes in this Lattice + universe_array = np.ndarray(tuple(np.array(dimension)), + dtype=openmc.Universe) + + # Create OpenMC Universes for each unique nested Universe in this Lattice + unique_universes = opencg_lattice.getUniqueUniverses() + + for universe_id, universe in unique_universes.items(): + unique_universes[universe_id] = get_openmc_universe(universe) + + # Build the nested Universe array + for z in range(dimension[2]): + for y in range(dimension[1]): + for x in range(dimension[0]): + universe_id = universes[z][y][x]._id + universe_array[x][y][z] = unique_universes[universe_id] + + # Reverse y-dimension in array to match ordering in OpenCG + universe_array = universe_array[:, ::-1, :] + + lower_left = np.array(offset, dtype=np.float64) + \ + ((np.array(width, dtype=np.float64) * + np.array(dimension, dtype=np.float64))) / -2.0 + + openmc_lattice = openmc.RectLattice(lattice_id=lattice_id) + openmc_lattice.dimension = dimension + openmc_lattice.pitch = width + openmc_lattice.universes = universe_array + openmc_lattice.lower_left = lower_left + + # Add the OpenMC Lattice to the global collection of all OpenMC Lattices + OPENMC_LATTICES[lattice_id] = openmc_lattice + + # Add the OpenCG Lattice to the global collection of all OpenCG Lattices + OPENCG_LATTICES[lattice_id] = opencg_lattice + + return openmc_lattice + + +def get_opencg_geometry(openmc_geometry): + """Return an OpenCG geometry corresponding to an OpenMC geometry. + + Parameters + ---------- + openmc_geometry : openmc.universe.Geometry + OpenMC geometry + + Returns + ------- + opencg_geometry : opencg.Geometry + Equivalent OpenCG geometry + + """ + + if not isinstance(openmc_geometry, openmc.Geometry): + msg = 'Unable to get OpenCG geometry from "{0}" which is ' \ + 'not an OpenMC Geometry object'.format(openmc_geometry) + raise ValueError(msg) + + # Clear dictionaries and auto-generated IDs + OPENMC_SURFACES.clear() + OPENCG_SURFACES.clear() + OPENMC_CELLS.clear() + OPENCG_CELLS.clear() + OPENMC_UNIVERSES.clear() + OPENCG_UNIVERSES.clear() + OPENMC_LATTICES.clear() + OPENCG_LATTICES.clear() + + openmc_root_universe = openmc_geometry._root_universe + opencg_root_universe = get_opencg_universe(openmc_root_universe) + + opencg_geometry = opencg.Geometry() + opencg_geometry.setRootUniverse(opencg_root_universe) + opencg_geometry.initializeCellOffsets() + + return opencg_geometry + + +def get_openmc_geometry(opencg_geometry): + """Return an OpenMC geometry corresponding to an OpenCG geometry. + + Parameters + ---------- + opencg_geometry : opencg.Geometry + OpenCG geometry + + Returns + ------- + openmc_geometry : openmc.universe.Geometry + Equivalent OpenMC geometry + + """ + + if not isinstance(opencg_geometry, opencg.Geometry): + msg = 'Unable to get OpenMC geometry from "{0}" which is ' \ + 'not an OpenCG Geometry object'.format(opencg_geometry) + raise ValueError(msg) + + # Deep copy the goemetry since it may be modified to make all Surfaces + # compatible with OpenMC's specifications + opencg_geometry.assignAutoIds() + opencg_geometry = copy.deepcopy(opencg_geometry) + + # Update Cell bounding boxes in Geometry + opencg_geometry.updateBoundingBoxes() + + # Clear dictionaries and auto-generated ID + OPENMC_SURFACES.clear() + OPENCG_SURFACES.clear() + OPENMC_CELLS.clear() + OPENCG_CELLS.clear() + OPENMC_UNIVERSES.clear() + OPENCG_UNIVERSES.clear() + OPENMC_LATTICES.clear() + OPENCG_LATTICES.clear() + + # Make the entire geometry "compatible" before assigning auto IDs + universes = opencg_geometry.getAllUniverses() + for universe_id, universe in universes.items(): + if not isinstance(universe, opencg.Lattice): + make_opencg_cells_compatible(universe) + + opencg_geometry.assignAutoIds() + + opencg_root_universe = opencg_geometry._root_universe + openmc_root_universe = get_openmc_universe(opencg_root_universe) + + openmc_geometry = openmc.Geometry() + openmc_geometry.root_universe = openmc_root_universe + + return openmc_geometry diff --git a/src/utils/particle_restart.py b/openmc/particle_restart.py similarity index 71% rename from src/utils/particle_restart.py rename to openmc/particle_restart.py index b4a718eb5f..d664de1aee 100644 --- a/src/utils/particle_restart.py +++ b/openmc/particle_restart.py @@ -1,9 +1,44 @@ -#!/usr/bin/env python - import struct class Particle(object): + """Information used to restart a specific particle that caused a simulation to + fail. + + Parameters + ---------- + filename : str + Path to the particle restart file + + Attributes + ---------- + filetype : int + Integer indicating the file type + revision : int + Revision of the particle restart format + current_batch : int + The batch containing the particle + gen_per_batch : int + Number of generations per batch + current_gen : int + The generation containing the particle + n_particles : int + Number of particles per generation + run_mode : int + Type of simulation (criticality or fixed source) + id : long + Identifier of the particle + weight : float + Weight of the particle + energy : float + Energy of the particle in MeV + xyz : list of float + Position of the particle + uvw : list of float + Directional cosines of the particle + + """ + def __init__(self, filename): if filename.endswith('.h5'): import h5py diff --git a/openmc/plots.py b/openmc/plots.py new file mode 100644 index 0000000000..66419a6ffc --- /dev/null +++ b/openmc/plots.py @@ -0,0 +1,374 @@ +from collections import Iterable +from numbers import Real, Integral +from xml.etree import ElementTree as ET +import sys + +import numpy as np + +from openmc.clean_xml import * +from openmc.checkvalue import (check_type, check_value, check_length, + check_greater_than, check_less_than) + +if sys.version_info[0] >= 3: + basestring = str + +# A static variable for auto-generated Plot IDs +AUTO_PLOT_ID = 10000 + + +def reset_auto_plot_id(): + global AUTO_PLOT_ID + AUTO_PLOT_ID = 10000 + + +BASES = ['xy', 'xz', 'yz'] + + +class Plot(object): + """Definition of a finite region of space to be plotted, either as a slice plot + in two dimensions or as a voxel plot in three dimensions. + + Parameters + ---------- + plot_id : int + Unique identifier for the plot + name : str + Name of the plot + + Attributes + ---------- + id : int + Unique identifier + name : str + Name of the plot + width : Iterable of float + Width of the plot in each basis direction + pixels : Iterable of int + Number of pixels to use in each basis direction + origin : tuple or list of ndarray + Origin (center) of the plot + filename : + Path to write the plot to + color : {'cell', 'mat'} + Indicate whether the plot should be colored by cell or by material + type : {'slice', 'voxel'} + The type of the plot + basis : {'xy', 'xz', 'yz'} + The basis directions for the plot + background : tuple or list of ndarray + Color of the background defined by RGB + mask_components : Iterable of int + Unique id numbers of the cells or materials to plot + mask_background : Iterable of int + Color to apply to all cells/materials not listed in mask_components + defined by RGB + col_spec : dict + Dictionary indicating that certain cells/materials (keys) should be + colored with a specific RGB (values) + + """ + + def __init__(self, plot_id=None, name=''): + # Initialize Plot class attributes + self.id = plot_id + self.name = name + self._width = [4.0, 4.0] + self._pixels = [1000, 1000] + self._origin = [0., 0., 0.] + self._filename = 'plot' + self._color = 'cell' + self._type = 'slice' + self._basis = 'xy' + self._background = [0, 0, 0] + self._mask_components = None + self._mask_background = None + self._col_spec = None + + @property + def id(self): + return self._id + + @property + def name(self): + return self._name + + @property + def width(self): + return self._width + + @property + def pixels(self): + return self._pixels + + @property + def origin(self): + return self._origin + + @property + def filename(self): + return self._filename + + @property + def color(self): + return self._color + + @property + def type(self): + return self._type + + @property + def basis(self): + return self._basis + + @property + def background(self): + return self._background + + @property + def mask_componenets(self): + return self._mask_components + + @property + def mask_background(self): + return self._mask_background + + @property + def col_spec(self): + return self._col_spec + + @id.setter + def id(self, plot_id): + if plot_id is None: + global AUTO_PLOT_ID + self._id = AUTO_PLOT_ID + AUTO_PLOT_ID += 1 + else: + check_type('plot ID', plot_id, Integral) + check_greater_than('plot ID', plot_id, 0) + self._id = plot_id + + @name.setter + def name(self, name): + check_type('plot name', name, basestring) + self._name = name + + @width.setter + def width(self, width): + check_type('plot width', width, Iterable, Real) + check_length('plot width', width, 2, 3) + self._width = width + + @origin.setter + def origin(self, origin): + check_type('plot origin', origin, Iterable, Real) + check_length('plot origin', origin, 3) + self._origin = origin + + @pixels.setter + def pixels(self, pixels): + check_type('plot pixels', pixels, Iterable, Integral) + check_length('plot pixels', pixels, 2, 3) + for dim in pixels: + check_greater_than('plot pixels', dim, 0) + self._pixels = pixels + + @filename.setter + def filename(self, filename): + check_type('filename', filename, basestring) + self._filename = filename + + @color.setter + def color(self, color): + check_type('plot color', color, basestring) + check_value('plot color', color, ['cell', 'mat']) + self._color = color + + @type.setter + def type(self, plottype): + check_type('plot type', plottype, basestring) + check_value('plot type', plottype, ['slice', 'voxel']) + self._type = plottype + + @basis.setter + def basis(self, basis): + check_type('plot basis', basis, basestring) + check_value('plot basis', basis, ['xy', 'xz', 'yz']) + self._basis = basis + + @background.setter + def background(self, background): + check_type('plot background', background, Iterable, Integral) + check_length('plot background', background, 3) + for rgb in background: + check_greater_than('plot background',rgb, 0, True) + check_less_than('plot background', rgb, 256) + self._background = background + + @col_spec.setter + def col_spec(self, col_spec): + check_type('plot col_spec parameter', col_spec, dict, Integral) + + for key in col_spec: + if key < 0: + msg = 'Unable to create Plot ID="{0}" with col_spec ID "{1}" ' \ + 'which is less than 0'.format(self._id, key) + raise ValueError(msg) + + elif not isinstance(col_spec[key], Iterable): + msg = 'Unable to create Plot ID="{0}" with col_spec RGB values' \ + ' "{1}" which is not iterable'.format(self._id, col_spec[key]) + raise ValueError(msg) + + elif len(col_spec[key]) != 3: + msg = 'Unable to create Plot ID="{0}" with col_spec RGB ' \ + 'values of length "{1}" since 3 values must be ' \ + 'input'.format(self._id, len(col_spec[key])) + raise ValueError(msg) + + self._col_spec = col_spec + + @mask_componenets.setter + def mask_components(self, mask_components): + check_type('plot mask_components', mask_components, Iterable, Integral) + for component in mask_components: + check_greater_than('plot mask_components', component, 0, True) + self._mask_components = mask_components + + @mask_background.setter + def mask_background(self, mask_background): + check_type('plot mask background', mask_background, Iterable, Integral) + check_length('plot mask background', mask_background, 3) + for rgb in mask_background: + check_greater_than('plot mask background', rgb, 0, True) + check_less_than('plot mask background', rgb, 256) + self._mask_background = mask_background + + def __repr__(self): + string = 'Plot\n' + string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id) + string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name) + string += '{0: <16}{1}{2}\n'.format('\tFilename', '=\t', self._filename) + string += '{0: <16}{1}{2}\n'.format('\tType', '=\t', self._type) + string += '{0: <16}{1}{2}\n'.format('\tBasis', '=\t', self._basis) + string += '{0: <16}{1}{2}\n'.format('\tWidth', '=\t', self._width) + string += '{0: <16}{1}{2}\n'.format('\tOrigin', '=\t', self._origin) + string += '{0: <16}{1}{2}\n'.format('\tPixels', '=\t', self._origin) + string += '{0: <16}{1}{2}\n'.format('\tColor', '=\t', self._color) + string += '{0: <16}{1}{2}\n'.format('\tMask', '=\t', + self._mask_components) + string += '{0: <16}{1}{2}\n'.format('\tMask', '=\t', + self._mask_background) + string += '{0: <16}{1}{2}\n'.format('\tCol Spec', '=\t', self._col_spec) + return string + + def get_plot_xml(self): + """Return XML representation of the plot + + Returns + ------- + element : xml.etree.ElementTree.Element + XML element containing plot data + + """ + + element = ET.Element("plot") + element.set("id", str(self._id)) + element.set("filename", self._filename) + element.set("color", self._color) + element.set("type", self._type) + + if self._type is 'slice': + element.set("basis", self._basis) + + subelement = ET.SubElement(element, "origin") + subelement.text = ' '.join(map(str, self._origin)) + + subelement = ET.SubElement(element, "width") + subelement.text = ' '.join(map(str, self._width)) + + subelement = ET.SubElement(element, "pixels") + subelement.text = ' '.join(map(str, self._pixels)) + + if self._mask_background is not None: + subelement = ET.SubElement(element, "background") + subelement.text = ' '.join(map(str, self._background)) + + if self._col_spec is not None: + for key in self._col_spec: + subelement = ET.SubElement(element, "col_spec") + subelement.set("id", str(key)) + subelement.set("rgb", ' '.join(map( + str, self._col_spec[key]))) + + if self._mask_components is not None: + subelement = ET.SubElement(element, "mask") + subelement.set("components", ' '.join(map( + str, self._mask_components))) + subelement.set("background", ' '.join(map( + str, self._mask_background))) + + return element + + +class PlotsFile(object): + """Plots file used for an OpenMC simulation. Corresponds directly to the + plots.xml input file. + + """ + + def __init__(self): + # Initialize PlotsFile class attributes + self._plots = [] + self._plots_file = ET.Element("plots") + + def add_plot(self, plot): + """Add a plot to the file. + + Parameters + ---------- + plot : Plot + Plot to add + + """ + + if not isinstance(plot, Plot): + msg = 'Unable to add a non-Plot "{0}" to the PlotsFile'.format(plot) + raise ValueError(msg) + + self._plots.append(plot) + + def remove_plot(self, plot): + """Remove a plot from the file. + + Parameters + ---------- + plot : Plot + Plot to remove + + """ + + self._plots.remove(plot) + + def _create_plot_subelements(self): + for plot in self._plots: + xml_element = plot.get_plot_xml() + + if len(plot._name) > 0: + self._plots_file.append(ET.Comment(plot._name)) + + self._plots_file.append(xml_element) + + def export_to_xml(self): + """Create a plots.xml file that can be used by OpenMC. + + """ + + self._create_plot_subelements() + + # Clean the indentation in the file to be user-readable + clean_xml_indentation(self._plots_file) + + # Write the XML Tree to the plots.xml file + tree = ET.ElementTree(self._plots_file) + tree.write("plots.xml", xml_declaration=True, + encoding='utf-8', method="xml") diff --git a/openmc/settings.py b/openmc/settings.py new file mode 100644 index 0000000000..981166af51 --- /dev/null +++ b/openmc/settings.py @@ -0,0 +1,1210 @@ +from collections import Iterable +from numbers import Real, Integral +import warnings +from xml.etree import ElementTree as ET +import sys + +import numpy as np + +from openmc.clean_xml import * +from openmc.checkvalue import (check_type, check_length, check_value, + check_greater_than, check_less_than) + +if sys.version_info[0] >= 3: + basestring = str + + +class SettingsFile(object): + """Settings file used for an OpenMC simulation. Corresponds directly to the + settings.xml input file. + + Attributes + ---------- + batches : int + Number of batches to simulate + generations_per_batch : int + Number of generations per batch + inactive : int + Number of inactive batches + particles : int + Number of particles per generation + keff_trigger : dict + Dictionary defining a trigger on eigenvalue. The dictionary must have + two keys, 'type' and 'threshold'. Acceptable values corresponding to + type are 'variance', 'std_dev', and 'rel_err'. The threshold value + should be a float indicating the variance, standard deviation, or + relative error used. + source_file : str + Path to a source file + output : dict + Dictionary indicating what files to output. Valid keys are 'summary', + 'cross_sections', 'tallies', and 'distribmats'. Values corresponding to + each key should be given as a boolean value. + output_path : str + Path to write output to + verbosity : int + Verbosity during simulation between 1 and 10 + statepoint_batches : Iterable of int + List of batches at which to write statepoint files + statepoint_interval : int + Number of batches after which a new statepoint file should be written + sourcepoint_batches : Iterable of int + List of batches at which to write source files + sourcepoint_interval : int + Number of batches after which a new source file should be written + sourcepoint_separate : bool + Indicate whether the souce should be written as part of the statepoint + file or on its own + sourcepoint_write : bool + Indicate whether the source should be written at all + sourcepoint_overwrite : bool + Indicate whether to + confidence_intervals : bool + If True, uncertainties on tally results will be reported as the + half-width of the 95% two-sided confidence interval. If False, + uncertainties on tally results will be reported as the sample standard + deviation. + cross_sections : str + Indicates the path to an XML cross section listing file (usually named + cross_sections.xml). If it is not set, the :envvar:`CROSS_SECTIONS` + environment variable will be used to find the path to the XML cross + section listing. + energy_grid : str + Set the method used to search energy grids. Acceptable values are + 'nuclide', 'logarithm', and 'material-union'. + ptables : bool + Determine whether probability tables are used. + run_cmfd : bool + Indicate if coarse mesh finite difference acceleration is to be used + seed : int + Seed for the linear congruential pseudorandom number generator + survival_biasing : bool + Indicate whether survival biasing is to be used + weight : float + Weight cutoff below which particle undergo Russian roulette + weight_avg : float + Weight assigned to particles that are not killed after Russian roulette + entropy_dimension : tuple or list + Number of Shannon entropy mesh cells in the x, y, and z directions, + respectively + entropy_lower_left : tuple or list + Coordinates of the lower-left point of the Shannon entropy mesh + entropy_upper_right : tuple or list + Coordinates of the upper-right point of the Shannon entropy mesh + trigger_active : bool + Indicate whether tally triggers are used + trigger_max_batches : int + Maximum number of batches simulated. If this is set, the number of + batches specified via ``batches`` is interpreted as the minimum number + of batches + trigger_batch_interval : int + Number of batches in between convergence checks + no_reduce : bool + Indicate that all user-defined and global tallies should not be reduced + across processes in a parallel calculation. + threads : int + Number of OpenMP threads + trace : tuple or list + Show detailed information about a single particle, indicated by three + integers: the batch number, generation number, and particle number + track : tuple or list + Specify particles for which track files should be written. Each particle + is identified by a triplet with the batch number, generation number, and + particle number. + ufs_dimension : tuple or list + Number of uniform fission site (UFS) mesh cells in the x, y, and z + directions, respectively + ufs_lower_left : tuple or list + Coordinates of the lower-left point of the UFS mesh + ufs_upper_right : tuple or list + Coordinates of the upper-right point of the UFS mesh + + """ + + def __init__(self): + # Eigenvalue subelement + self._batches = None + self._generations_per_batch = None + self._inactive = None + self._particles = None + self._keff_trigger = None + + # Source subelement + self._source_subelement = None + self._source_file = None + self._source_space_type = None + self._source_space_params = None + self._source_angle_type = None + self._source_angle_params = None + self._source_energy_type = None + self._source_energy_params = None + + self._confidence_intervals = None + self._cross_sections = None + self._energy_grid = None + self._ptables = None + self._run_cmfd = None + self._seed = None + self._survival_biasing = None + + # Entropy subelement + self._entropy_dimension = None + self._entropy_lower_left = None + self._entropy_upper_right = None + + # Trigger subelement + self._trigger_subelement = None + self._trigger_active = None + self._trigger_max_batches = None + self._trigger_batch_interval = None + + self._output = None + self._output_path = None + + # Statepoint subelement + self._statepoint_batches = None + self._statepoint_interval = None + self._sourcepoint_batches = None + self._sourcepoint_interval = None + self._sourcepoint_separate = None + self._sourcepoint_write = None + self._sourcepoint_overwrite = None + + self._threads = None + self._no_reduce = None + + self._verbosity = None + + self._trace = None + self._track = None + + # Cutoff subelement + self._weight = None + self._weight_avg = None + + # Uniform fission source subelement + self._ufs_dimension = 1 + self._ufs_lower_left = None + self._ufs_upper_right = None + + # Domain decomposition subelement + self._dd_mesh_dimension = None + self._dd_mesh_lower_left = None + self._dd_mesh_upper_right = None + self._dd_nodemap = None + self._dd_allow_leakage = False + self._dd_count_interactions = False + + self._settings_file = ET.Element("settings") + self._eigenvalue_subelement = None + self._source_element = None + + @property + def batches(self): + return self._batches + + @property + def generations_per_batch(self): + return self._generations_per_batch + + @property + def inactive(self): + return self._inactive + + @property + def particles(self): + return self._particles + + @property + def keff_trigger(self): + return self._keff_trigger + + @property + def source_file(self): + return self._source_file + + @property + def source_space_type(self): + return self._source_space_type + + @property + def source_space_params(self): + return self._source_space_params + + @property + def source_angle_type(self): + return self._source_angle_type + + @property + def source_angle_params(self): + return self._source_angle_params + + @property + def source_energy_type(self): + return self._source_energy_type + + @property + def source_energy_params(self): + return self._source_energy_params + + @property + def confidence_intervals(self): + return self._confidence_intervals + + @property + def cross_sections(self): + return self._cross_sections + + @property + def energy_grid(self): + return self._energy_grid + + @property + def ptables(self): + return self._ptables + + @property + def run_cmfd(self): + return self._run_cmfd + + @property + def seed(self): + return self._seed + + @property + def survival_biasing(self): + return self._survival_biasing + + @property + def entropy_dimension(self): + return self._entropy_dimension + + @property + def entropy_lower_left(self): + return self._entropy_lower_left + + @property + def entropy_upper_right(self): + return self._entropy_upper_right + + @property + def trigger_active(self): + return self._trigger_active + + @property + def trigger_max_batches(self): + return self._trigger_max_batches + + @property + def trigger_batch_interval(self): + return self._batch_interval + + @property + def output(self): + return self._output + + @property + def output_path(self): + return self._output_path + + @property + def statepoint_batches(self): + return self._statepoint_batches + + @property + def statepoint_interval(self): + return self._statepoint_interval + + @property + def sourcepoint_batches(self): + return self._sourcepoint_interval + + @property + def sourcepoint_interval(self): + return self._sourcepoint_interval + + @property + def sourcepoint_separate(self): + return self._sourcepoint_separate + + @property + def sourcepoint_write(self): + return self._sourcepoint_write + + @property + def sourcepoint_overwrite(self): + return self._sourcepoint_overwrite + + @property + def threads(self): + return self._threads + + @property + def no_reduce(self): + return self._no_reduce + + @property + def verbosity(self): + return self._verbosity + + @property + def trace(self): + return self._trace + + @property + def track(self): + return self._track + + @property + def weight(self): + return self._weight + + @property + def weight_avg(self): + return self._weight_avg + + @property + def ufs_dimension(self): + return self._ufs_dimension + + @property + def ufs_lower_left(self): + return self._ufs_lower_left + + @property + def ufs_upper_right(self): + return self._ufs_upper_right + + @property + def dd_mesh_dimension(self): + return self._dd_mesh_dimension + + @property + def dd_mesh_lower_left(self): + return self._dd_mesh_lower_left + + @property + def dd_mesh_upper_right(self): + return self._dd_mesh_upper_right + + @property + def dd_nodemap(self): + return self._dd_nodemap + + @property + def dd_allow_leakage(self): + return self._dd_allow_leakage + + @property + def dd_count_interactions(self): + return self._dd_count_interactions + + @batches.setter + def batches(self, batches): + check_type('batches', batches, Integral) + check_greater_than('batches', batches, 0) + self._batches = batches + + @generations_per_batch.setter + def generations_per_batch(self, generations_per_batch): + check_type('generations per patch', generations_per_batch, Integral) + check_greater_than('generations per batch', generations_per_batch, 0) + self._generations_per_batch = generations_per_batch + + @inactive.setter + def inactive(self, inactive): + check_type('inactive batches', inactive, Integral) + check_greater_than('inactive batches', inactive, 0, True) + self._inactive = inactive + + @particles.setter + def particles(self, particles): + check_type('particles', particles, Integral) + check_greater_than('particles', particles, 0) + self._particles = particles + + @keff_trigger.setter + def keff_trigger(self, keff_trigger): + if not isinstance(keff_trigger, dict): + msg = 'Unable to set a trigger on keff from "{0}" which ' \ + 'is not a Python dictionary'.format(keff_trigger) + raise ValueError(msg) + + elif 'type' not in keff_trigger: + msg = 'Unable to set a trigger on keff from "{0}" which ' \ + 'does not have a "type" key'.format(keff_trigger) + raise ValueError(msg) + + elif keff_trigger['type'] not in ['variance', 'std_dev', 'rel_err']: + msg = 'Unable to set a trigger on keff with ' \ + 'type "{0}"'.format(keff_trigger['type']) + raise ValueError(msg) + + elif 'threshold' not in keff_trigger: + msg = 'Unable to set a trigger on keff from "{0}" which ' \ + 'does not have a "threshold" key'.format(keff_trigger) + raise ValueError(msg) + + elif not isinstance(keff_trigger['threshold'], Real): + msg = 'Unable to set a trigger on keff with ' \ + 'threshold "{0}"'.format(keff_trigger['threshold']) + raise ValueError(msg) + + self._keff_trigger = keff_trigger + + @source_file.setter + def source_file(self, source_file): + check_type('source file', source_file, basestring) + self._source_file = source_file + + def set_source_space(self, stype, params): + """Defined the spatial bounds of the external/starting source. + + Parameters + ---------- + stype : str + The type of spatial distribution. Valid options are "box", + "fission", and "point". A "box" spatial distribution has coordinates + sampled uniformly in a parallelepiped. A "fission" spatial + distribution samples locations from a "box" distribution but only + locations in fissionable materials are accepted. A "point" spatial + distribution has coordinates specified by a triplet. + params : Iterable of float + For a "box" or "fission" spatial distribution, ``params`` should be + given as six real numbers, the first three of which specify the + lower-left corner of a parallelepiped and the last three of which + specify the upper-right corner. Source sites are sampled uniformly + through that parallelepiped. + + For a "point" spatial distribution, ``params`` should be given as + three real numbers which specify the (x,y,z) location of an + isotropic point source + + """ + + check_type('source space type', stype, basestring) + check_value('source space type', stype, ['box', 'fission', 'point']) + check_type('source space parameters', params, Iterable, Real) + if stype in ['box', 'fission']: + check_length('source space parameters for a ' + 'box/fission distribution', params, 6) + elif stype == 'point': + check_length('source space parameters for a point source', + params, 3) + + self._source_space_type = stype + self._source_space_params = params + + def set_source_angle(self, stype, params=[]): + """Defined the angular distribution of the external/starting source. + + Parameters + ---------- + stype : str + The type of angular distribution. Valid options are "isotropic" and + "monodirectional". The angle of the particle emitted from a source + site is isotropic if the "isotropic" option is given. The angle of + the particle emitted from a source site is the direction specified + in ``params`` if the "monodirectional" option is given. + params : Iterable of float + For an "isotropic" angular distribution, ``params`` should not + be specified. + + For a "monodirectional" angular distribution, ``params`` should + be given as three floats which specify the angular cosines + with respect to each axis. + + """ + + check_type('source angle type', stype, basestring) + check_value('source angle type', stype, + ['isotropic', 'monodirectional']) + check_type('source angle parameters', params, Iterable, Real) + if stype == 'isotropic' and params is not None: + msg = 'Unable to set source angle parameters since they are not ' \ + 'it is not supported for isotropic type sources' + raise ValueError(msg) + elif stype == 'monodirectional': + check_length('source angle parameters for a monodirectional ' + 'source', params, 3) + + self._source_angle_type = stype + self._source_angle_params = params + + def set_source_energy(self, stype, params=[]): + """Defined the energy distribution of the external/starting source. + + Parameters + ---------- + stype : str + The type of energy distribution. Valid options are "monoenergetic", + "watt", and "maxwell". The "monoenergetic" option produces source + sites at a single energy. The "watt" option produces source sites + whose energy is sampled from a Watt fission spectrum. The "maxwell" + option produce source sites whose energy is sampled from a Maxwell + fission spectrum. + params : Iterable of float + For a "monoenergetic" energy distribution, ``params`` should be + given as the energy in MeV of the source sites. + + For a "watt" energy distribution, ``params`` should be given as two + real numbers :math:`a` and :math:`b` that parameterize the + distribution :math:`p(E) dE = c e^{-E/a} \sinh \sqrt{b \, E} dE`. + + For a "maxwell" energy distribution, ``params`` should be given as + one real number :math:`a` that parameterizes the distribution + :math:`p(E) dE = c E e^{-E/a} dE`. + + """ + + check_type('source energy type', stype, basestring) + check_value('source energy type', stype, + ['monoenergetic', 'watt', 'maxwell']) + check_type('source energy parameters', params, Iterable, Real) + if stype in ['monoenergetic', 'maxwell']: + check_length('source energy parameters for a monoenergetic ' + 'or Maxwell source', params, 1) + elif stype == 'watt': + check_length('source energy parameters for a Watt source', + params, 2) + + self._source_energy_type = stype + self._source_energy_params = params + + @output.setter + def output(self, output): + if not isinstance(output, dict): + msg = 'Unable to set output to "{0}" which is not a Python ' \ + 'dictionary of string keys and boolean values'.format(output) + raise ValueError(msg) + + for element in output: + keys = ['summary', 'cross_sections', 'tallies', 'distribmats'] + if element not in keys: + msg = 'Unable to set output to "{0}" which is unsupported by ' \ + 'OpenMC'.format(element) + raise ValueError(msg) + + if not isinstance(output[element], (bool, np.bool)): + msg = 'Unable to set output for "{0}" to a non-boolean ' \ + 'value "{1}"'.format(element, output[element]) + raise ValueError(msg) + + self._output = output + + @output_path.setter + def output_path(self, output_path): + check_type('output path', output_path, basestring) + self._output_path = output_path + + @verbosity.setter + def verbosity(self, verbosity): + check_type('verbosity', verbosity, Integral) + check_greater_than('verbosity', verbosity, 1, True) + check_less_than('verbosity', verbosity, 10, True) + self._verbosity = verbosity + + @statepoint_batches.setter + def statepoint_batches(self, batches): + check_type('statepoint batches', batches, Iterable, Integral) + for batch in batches: + check_greater_than('statepoint batch', batch, 0) + self._statepoint_batches = batches + + @statepoint_interval.setter + def statepoint_interval(self, interval): + check_type('statepoint interval', interval, Integral) + self._statepoint_interval = interval + + @sourcepoint_batches.setter + def sourcepoint_batches(self, batches): + check_type('sourcepoint batches', batches, Iterable, Integral) + for batch in batches: + check_greater_than('sourcepoint batch', batch, 0) + self._sourcepoint_batches = batches + + @sourcepoint_interval.setter + def sourcepoint_interval(self, interval): + check_type('sourcepoint interval', interval, Integral) + self._sourcepoint_interval = interval + + @sourcepoint_separate.setter + def sourcepoint_separate(self, source_separate): + check_type('sourcepoint separate', source_separate, bool) + self._sourcepoint_separate = source_separate + + @sourcepoint_write.setter + def sourcepoint_write(self, source_write): + check_type('sourcepoint write', source_write, bool) + self._sourcepoint_write = source_write + + @sourcepoint_overwrite.setter + def sourcepoint_overwrite(self, source_overwrite): + check_type('sourcepoint overwrite', source_overwrite, bool) + self._sourcepoint_overwrite = source_overwrite + + @confidence_intervals.setter + def confidence_intervals(self, confidence_intervals): + check_type('confidence interval', confidence_intervals, bool) + self._confidence_intervals = confidence_intervals + + @cross_sections.setter + def cross_sections(self, cross_sections): + check_type('cross sections', cross_sections, basestring) + self._cross_sections = cross_sections + + @energy_grid.setter + def energy_grid(self, energy_grid): + check_value('energy grid', energy_grid, + ['nuclide', 'logarithm', 'material-union']) + self._energy_grid = energy_grid + + @ptables.setter + def ptables(self, ptables): + check_type('probability tables', ptables, bool) + self._ptables = ptables + + @run_cmfd.setter + def run_cmfd(self, run_cmfd): + check_type('run_cmfd', run_cmfd, bool) + self._run_cmfd = run_cmfd + + @seed.setter + def seed(self, seed): + check_type('random number generator seed', seed, Integral) + check_greater_than('random number generator seed', seed, 0) + self._seed = seed + + @survival_biasing.setter + def survival_biasing(self, survival_biasing): + check_type('survival biasing', survival_biasing, bool) + self._survival_biasing = survival_biasing + + @weight.setter + def weight(self, weight): + check_type('weight cutoff', weight, Real) + check_greater_than('weight cutoff', weight, 0.0) + self._weight = weight + + @weight_avg.setter + def weight_avg(self, weight_avg): + check_type('average survival weight', weight_avg, Real) + check_greater_than('average survival weight', weight_avg, 0.0) + self._weight_avg = weight_avg + + @entropy_dimension.setter + def entropy_dimension(self, dimension): + check_type('entropy mesh dimension', dimension, Iterable, Integral) + check_length('entropy mesh dimension', dimension, 3) + self._entropy_dimension = dimension + + @entropy_lower_left.setter + def entropy_lower_left(self, lower_left): + check_type('entropy mesh lower left corner', lower_left, + Iterable, Real) + check_length('entropy mesh lower left corner', lower_left, 3) + self._entropy_lower_left = lower_left + + @entropy_upper_right.setter + def entropy_upper_right(self, upper_right): + check_type('entropy mesh upper right corner', upper_right, + Iterable, Real) + check_length('entropy mesh upper right corner', upper_right, 3) + self._entropy_upper_right = upper_right + + @trigger_active.setter + def trigger_active(self, trigger_active): + check_type('trigger active', trigger_active, bool) + self._trigger_active = trigger_active + + @trigger_max_batches.setter + def trigger_max_batches(self, trigger_max_batches): + check_type('trigger maximum batches', trigger_max_batches, Integral) + check_greater_than('trigger maximum batches', trigger_max_batches, 0) + self._trigger_max_batches = trigger_max_batches + + @trigger_batch_interval.setter + def trigger_batch_interval(self, trigger_batch_interval): + check_type('trigger batch interval', trigger_batch_interval, Integral) + check_greater_than('trigger batch interval', trigger_batch_interval, 0) + self._trigger_batch_interval = trigger_batch_interval + + @no_reduce.setter + def no_reduce(self, no_reduce): + check_type('no reduction option', no_reduce, bool) + self._no_reduce = no_reduce + + @threads.setter + def threads(self, threads): + check_type('number of threads', threads, Integral) + check_greater_than('number of threads', threads, 0) + self._threads = threads + + @trace.setter + def trace(self, trace): + check_type('trace', trace, Iterable, Integral) + check_length('trace', trace, 3) + check_greater_than('trace batch', trace[0], 0) + check_greater_than('trace generation', trace[1], 0) + check_greater_than('trace particle', trace[2], 0) + self._trace = trace + + @track.setter + def track(self, track): + check_type('track', track, Iterable, Integral) + if len(track) % 3 != 0: + msg = 'Unable to set the track to "{0}" since its length is ' \ + 'not a multiple of 3'.format(track) + raise ValueError(msg) + for t in zip(track[::3], track[1::3], track[2::3]): + check_greater_than('track batch', t[0], 0) + check_greater_than('track generation', t[0], 0) + check_greater_than('track particle', t[0], 0) + self._track = track + + @ufs_dimension.setter + def ufs_dimension(self, dimension): + check_type('UFS mesh dimension', dimension, Iterable, Integral) + check_length('UFS mesh dimension', dimension, 3) + for dim in dimension: + check_greater_than('UFS mesh dimension', dim, 1, True) + self._ufs_dimension = dimension + + @ufs_lower_left.setter + def ufs_lower_left(self, lower_left): + check_type('UFS mesh lower left corner', lower_left, Iterable, Real) + check_length('UFS mesh lower left corner', lower_left, 3) + self._ufs_lower_left = lower_left + + @ufs_upper_right.setter + def ufs_upper_right(self, upper_right): + check_type('UFS mesh upper right corner', upper_right, Iterable, Real) + check_length('UFS mesh upper right corner', upper_right, 3) + self._ufs_upper_right = upper_right + + @dd_mesh_dimension.setter + def dd_mesh_dimension(self, dimension): + # TODO: remove this when domain decomposition is merged + warnings.warn('This feature is not yet implemented in a release ' + 'version of openmc') + + check_type('DD mesh dimension', dimension, Iterable, Integral) + check_length('DD mesh dimension', dimension, 3) + + self._dd_mesh_dimension = dimension + + @dd_mesh_lower_left.setter + def dd_mesh_lower_left(self, lower_left): + # TODO: remove this when domain decomposition is merged + warnings.warn('This feature is not yet implemented in a release ' + 'version of openmc') + + check_type('DD mesh lower left corner', lower_left, Iterable, Real) + check_length('DD mesh lower left corner', lower_left, 3) + + self._dd_mesh_lower_left = lower_left + + @dd_mesh_upper_right.setter + def dd_mesh_upper_right(self, upper_right): + # TODO: remove this when domain decomposition is merged + warnings.warn('This feature is not yet implemented in a release ' + 'version of openmc') + + check_type('DD mesh upper right corner', upper_right, Iterable, Real) + check_length('DD mesh upper right corner', upper_right, 3) + + self._dd_mesh_upper_right = upper_right + + @dd_nodemap.setter + def dd_nodemap(self, nodemap): + # TODO: remove this when domain decomposition is merged + warnings.warn('This feature is not yet implemented in a release ' + 'version of openmc') + + check_type('DD nodemap', nodemap, Iterable) + + nodemap = np.array(nodemap).flatten() + + if self._dd_mesh_dimension is None: + msg = 'Must set DD mesh dimension before setting the nodemap' + raise ValueError(msg) + else: + len_nodemap = np.prod(self._dd_mesh_dimension) + + if len(nodemap) < len_nodemap or len(nodemap) > len_nodemap: + msg = 'Unable to set DD nodemap with length "{0}" which ' \ + 'does not have the same dimensionality as the domain ' \ + 'mesh'.format(len(nodemap)) + raise ValueError(msg) + + self._dd_nodemap = nodemap + + @dd_allow_leakage.setter + def dd_allow_leakage(self, allow): + + # TODO: remove this when domain decomposition is merged + warnings.warn('This feature is not yet implemented in a release ' + 'version of openmc') + + check_type('DD allow leakage', allow, bool) + + self._dd_allow_leakage = allow + + @dd_count_interactions.setter + def dd_count_interactions(self, interactions): + + # TODO: remove this when domain decomposition is merged + warnings.warn('This feature is not yet implemented in a release ' + 'version of openmc') + + check_type('DD count interactions', interactions, bool) + + self._dd_count_interactions = interactions + + def _create_eigenvalue_subelement(self): + self._create_particles_subelement() + self._create_batches_subelement() + self._create_inactive_subelement() + self._create_generations_per_batch_subelement() + self._create_keff_trigger_subelement() + + def _create_batches_subelement(self): + if self._batches is not None: + if self._eigenvalue_subelement is None: + self._eigenvalue_subelement = ET.SubElement(self._settings_file, + "eigenvalue") + + element = ET.SubElement(self._eigenvalue_subelement, "batches") + element.text = str(self._batches) + + def _create_generations_per_batch_subelement(self): + if self._generations_per_batch is not None: + if self._eigenvalue_subelement is None: + self._eigenvalue_subelement = ET.SubElement(self._settings_file, + "eigenvalue") + + element = ET.SubElement(self._eigenvalue_subelement, + "generations_per_batch") + element.text = str(self._generations_per_batch) + + def _create_inactive_subelement(self): + if self._inactive is not None: + if self._eigenvalue_subelement is None: + self._eigenvalue_subelement = ET.SubElement(self._settings_file, + "eigenvalue") + + element = ET.SubElement(self._eigenvalue_subelement, "inactive") + element.text = str(self._inactive) + + def _create_particles_subelement(self): + if self._particles is not None: + if self._eigenvalue_subelement is None: + self._eigenvalue_subelement = ET.SubElement(self._settings_file, + "eigenvalue") + + element = ET.SubElement(self._eigenvalue_subelement, "particles") + element.text = str(self._particles) + + def _create_keff_trigger_subelement(self): + if self._keff_trigger is not None: + if self._eigenvalue_subelement is None: + self._eigenvalue_subelement = ET.SubElement(self._settings_file, + "eigenvalue") + + element = ET.SubElement(self._eigenvalue_subelement, "keff_trigger") + + for key in self._keff_trigger: + subelement = ET.SubElement(element, key) + subelement.text = str(self._keff_trigger[key]).lower() + + def _create_source_subelement(self): + self._create_source_space_subelement() + self._create_source_energy_subelement() + self._create_source_angle_subelement() + + def _create_source_space_subelement(self): + if self._source_space_params is not None: + if self._source_subelement is None: + self._source_subelement = ET.SubElement(self._settings_file, + "source") + + element = ET.SubElement(self._source_subelement, "space") + element.set("type", self._source_space_type) + + subelement = ET.SubElement(element, "parameters") + subelement.text = ' '.join(map(str, self._source_space_params)) + + def _create_source_angle_subelement(self): + if self._source_angle_params is not None: + if self._source_subelement is None: + self._source_subelement = ET.SubElement(self._settings_file, + "source") + + element = ET.SubElement(self._source_subelement, "angle") + element.set("type", self._source_angle_type) + + subelement = ET.SubElement(element, "parameters") + subelement.text = ' '.join(map(str, self._source_angle_params)) + + def _create_source_energy_subelement(self): + if self._source_energy_params is not None: + if self._source_subelement is None: + self._source_subelement = ET.SubElement(self._settings_file, + "source") + + element = ET.SubElement(self._source_subelement, "energy") + element.set("type", self._source_energy_type) + + subelement = ET.SubElement(element, "parameters") + subelement.text = ' '.join(map(str, self._source_energy_params)) + + def _create_output_subelement(self): + if self._output is not None: + element = ET.SubElement(self._settings_file, "output") + + for key in self._output: + subelement = ET.SubElement(element, key) + subelement.text = str(self._output[key]).lower() + + self._create_output_path_subelement() + + def _create_output_path_subelement(self): + if self._output_path is not None: + element = ET.SubElement(self._settings_file, "output_path") + element.text = self._output_path + + def _create_verbosity_subelement(self): + if self._verbosity is not None: + element = ET.SubElement(self._settings_file, "verbosity") + element.text = str(self._verbosity) + + def _create_statepoint_subelement(self): + # Batches subelement + if self._statepoint_batches is not None: + element = ET.SubElement(self._settings_file, "state_point") + subelement = ET.SubElement(element, "batches") + subelement.text = ' '.join(map(str, self._statepoint_batches)) + + # Interval subelement + elif self._statepoint_interval is not None: + element = ET.SubElement(self._settings_file, "state_point") + subelement = ET.SubElement(element, "interval") + subelement.text = str(self._statepoint_interval) + + def _create_sourcepoint_subelement(self): + # Batches subelement + if self._sourcepoint_batches is not None: + element = ET.SubElement(self._settings_file, "source_point") + subelement = ET.SubElement(element, "batches") + subelement.text = ' '.join(map(str, self._sourcepoint_batches)) + + # Interval subelement + elif self._sourcepoint_interval is not None: + element = ET.SubElement(self._settings_file, "source_point") + subelement = ET.SubElement(element, "interval") + subelement.text = str(self._sourcepoint_interval) + + # Separate subelement + if self._sourcepoint_separate is not None: + subelement = ET.SubElement(element, "separate") + subelement.text = str(self._sourcepoint_separate).lower() + + # Write subelement + if self._sourcepoint_write is not None: + subelement = ET.SubElement(element, "write") + subelement.text = str(self._sourcepoint_write).lower() + + # Overwrite latest subelement + if self._sourcepoint_overwrite is not None: + subelement = ET.SubElement(element, "overwrite_latest") + subelement.text = str(self._sourcepoint_overwrite).lower() + + def _create_confidence_intervals(self): + if self._confidence_intervals is not None: + element = ET.SubElement(self._settings_file, "confidence_intervals") + element.text = str(self._confidence_intervals).lower() + + def _create_cross_sections_subelement(self): + if self._cross_sections is not None: + element = ET.SubElement(self._settings_file, "cross_sections") + element.text = str(self._cross_sections) + + def _create_energy_grid_subelement(self): + if self._energy_grid is not None: + element = ET.SubElement(self._settings_file, "energy_grid") + element.text = str(self._energy_grid) + + def _create_ptables_subelement(self): + if self._ptables is not None: + element = ET.SubElement(self._settings_file, "ptables") + element.text = str(self._ptables).lower() + + def _create_run_cmfd_subelement(self): + if self._run_cmfd is not None: + element = ET.SubElement(self._settings_file, "run_cmfd") + element.text = str(self._run_cmfd).lower() + + def _create_seed_subelement(self): + if self._seed is not None: + element = ET.SubElement(self._settings_file, "seed") + element.text = str(self._seed) + + def _create_survival_biasing_subelement(self): + if self._survival_biasing is not None: + element = ET.SubElement(self._settings_file, "survival_biasing") + element.text = str(self._survival_biasing).lower() + + def _create_cutoff_subelement(self): + if self._weight is not None: + element = ET.SubElement(self._settings_file, "cutoff") + + subelement = ET.SubElement(element, "weight") + subelement.text = str(self._weight) + + subelement = ET.SubElement(element, "weight_avg") + subelement.text = str(self._weight_avg) + + def _create_entropy_subelement(self): + if self._entropy_lower_left is not None and \ + self._entropy_upper_right is not None: + + element = ET.SubElement(self._settings_file, "entropy") + + subelement = ET.SubElement(element, "dimension") + subelement.text = ' '.join(map(str, self._entropy_dimension)) + + subelement = ET.SubElement(element, "lower_left") + subelement.text = ' '.join(map(str, self._entropy_lower_left)) + + subelement = ET.SubElement(element, "upper_right") + subelement.text = ' '.join(map(str, self._entropy_upper_right)) + + def _create_trigger_subelement(self): + self._create_trigger_active_subelement() + self._create_trigger_max_batches_subelement() + self._create_trigger_batch_interval_subelement() + + def _create_trigger_active_subelement(self): + if self._trigger_active is not None: + if self._trigger_subelement is None: + self._trigger_subelement = ET.SubElement(self._settings_file, + "trigger") + + element = ET.SubElement(self._trigger_subelement, "active") + element.text = str(self._trigger_active).lower() + + def _create_trigger_max_batches_subelement(self): + if self._trigger_max_batches is not None: + if self._trigger_subelement is None: + self._trigger_subelement = ET.SubElement(self._settings_file, + "trigger") + + element = ET.SubElement(self._trigger_subelement, "max_batches") + element.text = str(self._trigger_max_batches) + + def _create_trigger_batch_interval_subelement(self): + if self._trigger_batch_interval is not None: + if self._trigger_subelement is None: + self._trigger_subelement = ET.SubElement(self._settings_file, + "trigger") + + element = ET.SubElement(self._trigger_subelement, "batch_interval") + element.text = str(self._trigger_batch_interval) + + def _create_no_reduce_subelement(self): + if self._no_reduce is not None: + element = ET.SubElement(self._settings_file, "no_reduce") + element.text = str(self._no_reduce).lower() + + def _create_threads_subelement(self): + if self._threads is not None: + element = ET.SubElement(self._settings_file, "threads") + element.text = str(self._threads) + + def _create_trace_subelement(self): + if self._trace is not None: + element = ET.SubElement(self._settings_file, "trace") + element.text = ' '.join(map(str, self._trace)) + + def _create_track_subelement(self): + if self._track is not None: + element = ET.SubElement(self._settings_file, "track") + element.text = ' '.join(map(str, self._track)) + + def _create_ufs_subelement(self): + if self._ufs_lower_left is not None and \ + self._ufs_upper_right is not None: + + element = ET.SubElement(self._settings_file, "uniform_fs") + + subelement = ET.SubElement(element, "dimension") + subelement.text = str(self._ufs_dimension) + + subelement = ET.SubElement(element, "lower_left") + subelement.text = ' '.join(map(str, self._ufs_lower_left)) + + subelement = ET.SubElement(element, "upper_right") + subelement.text = ' '.join(map(str, self._ufs_upper_right)) + + def _create_dd_subelement(self): + if self._dd_mesh_lower_left is not None and \ + self._dd_mesh_upper_right is not None and \ + self._dd_mesh_dimension is not None: + + element = ET.SubElement(self._settings_file, "domain_decomposition") + + subelement = ET.SubElement(element, "mesh") + subsubelement = ET.SubElement(subelement, "dimension") + subsubelement.text = ' '.join(map(str, self._dd_mesh_dimension)) + + subsubelement = ET.SubElement(subelement, "lower_left") + subsubelement.text = ' '.join(map(str, self._dd_mesh_lower_left)) + + subsubelement = ET.SubElement(subelement, "upper_right") + subsubelement.text = ' '.join(map(str, self._dd_mesh_upper_right)) + + if self._dd_nodemap is not None: + subelement = ET.SubElement(element, "nodemap") + subelement.text = ' '.join(map(str, self._dd_nodemap)) + + subelement = ET.SubElement(element, "allow_leakage") + subelement.text = str(self._dd_allow_leakage).lower() + + subelement = ET.SubElement(element, "count_interactions") + subelement.text = str(self._dd_count_interactions).lower() + + def export_to_xml(self): + """Create a settings.xml file that can be used for a simulation. + + """ + + self._create_eigenvalue_subelement() + self._create_source_subelement() + self._create_output_subelement() + self._create_statepoint_subelement() + self._create_sourcepoint_subelement() + self._create_confidence_intervals() + self._create_cross_sections_subelement() + self._create_energy_grid_subelement() + self._create_ptables_subelement() + self._create_run_cmfd_subelement() + self._create_seed_subelement() + self._create_survival_biasing_subelement() + self._create_cutoff_subelement() + self._create_entropy_subelement() + self._create_trigger_subelement() + self._create_no_reduce_subelement() + self._create_threads_subelement() + self._create_verbosity_subelement() + self._create_trace_subelement() + self._create_track_subelement() + self._create_ufs_subelement() + self._create_dd_subelement() + + # Clean the indentation in the file to be user-readable + clean_xml_indentation(self._settings_file) + + # Write the XML Tree to the settings.xml file + tree = ET.ElementTree(self._settings_file) + tree.write("settings.xml", xml_declaration=True, + encoding='utf-8', method="xml") diff --git a/openmc/statepoint.py b/openmc/statepoint.py new file mode 100644 index 0000000000..6a4713e91d --- /dev/null +++ b/openmc/statepoint.py @@ -0,0 +1,834 @@ +import copy +import struct +import sys + +import numpy as np +import scipy.stats + +import openmc +from openmc.constants import * + +if sys.version > '3': + long = int + + +class SourceSite(object): + """A single source site produced from fission. + + Attributes + ---------- + weight : float + Weight of the particle arising from the site + xyz : list of float + Cartesian coordinates of the site + uvw : list of float + Directional cosines for particles emerging from the site + E : float + Energy of the emerging particle in MeV + + """ + + def __init__(self): + self._weight = None + self._xyz = None + self._uvw = None + self._E = None + + def __repr__(self): + string = 'SourceSite\n' + string += '{0: <16}{1}{2}\n'.format('\tweight', '=\t', self._weight) + string += '{0: <16}{1}{2}\n'.format('\tE', '=\t', self._E) + string += '{0: <16}{1}{2}\n'.format('\t(x,y,z)', '=\t', self._xyz) + string += '{0: <16}{1}{2}\n'.format('\t(u,v,w)', '=\t', self._uvw) + return string + + @property + def weight(self): + return self._weight + + @property + def xyz(self): + return self._xyz + + @property + def uvw(self): + return self._uvw + + @property + def E(self): + return self._E + + +class StatePoint(object): + """State information on a simulation at a certain point in time (at the end of a + given batch). Statepoints can be used to analyze tally results as well as + restart a simulation. + + Attributes + ---------- + k_combined : list + Combined estimator for k-effective and its uncertainty + n_particles : int + Number of particles per generation + n_batches : int + Number of batches + current_batch : + Number of batches simulated + results : bool + Indicate whether tally results have been read + source : ndarray of SourceSite + Array of source sites + with_summary : bool + Indicate whether statepoint data has been linked against a summary file + tallies : dict + Dictionary whose keys are tally IDs and whose values are Tally objects + tallies_present : bool + Indicate whether user-defined tallies are present + global_tallies : ndarray + Global tallies and their uncertainties + n_realizations : int + Number of tally realizations + + """ + + def __init__(self, filename): + if filename.endswith('.h5'): + import h5py + self._f = h5py.File(filename, 'r') + self._hdf5 = True + else: + self._f = open(filename, 'rb') + self._hdf5 = False + + # Set flags for what data has been read + self._results = False + self._source = False + self._with_summary = False + + # Read all metadata + self._read_metadata() + + # Read information about tally meshes + self._read_meshes() + + # Read tally metadata + self._read_tallies() + + def close(self): + self._f.close() + + @property + def k_combined(self): + return self._k_combined + + @property + def n_particles(self): + return self._n_particles + + @property + def n_batches(self): + return self._n_batches + + @property + def current_batch(self): + return self._current_batch + + @property + def results(self): + return self._results + + @property + def source(self): + return self._source + + @property + def with_summary(self): + return self._with_summary + + @property + def tallies(self): + return self._tallies + + @property + def tallies_present(self): + return self._tallies_present + + @property + def global_tallies(self): + return self._global_tallies + + @property + def n_realizations(self): + return self._n_realizations + + def _read_metadata(self): + # Read filetype + self._filetype = self._get_int(path='filetype')[0] + + # Read statepoint revision + self._revision = self._get_int(path='revision')[0] + if self._revision != 13: + raise Exception('Statepoint Revision is not consistent.') + + # Read OpenMC version + if self._hdf5: + self._version = [self._get_int(path='version_major')[0], + self._get_int(path='version_minor')[0], + self._get_int(path='version_release')[0]] + else: + self._version = self._get_int(3) + + # Read date and time + self._date_and_time = self._get_string(19, path='date_and_time') + + # Read path + self._path = self._get_string(255, path='path').strip() + + # Read random number seed + self._seed = self._get_long(path='seed')[0] + + # Read run information + self._run_mode = self._get_int(path='run_mode')[0] + self._n_particles = self._get_long(path='n_particles')[0] + self._n_batches = self._get_int(path='n_batches')[0] + + # Read current batch + self._current_batch = self._get_int(path='current_batch')[0] + + # Read whether or not the source site distribution is present + self._source_present = self._get_int(path='source_present')[0] + + # Read criticality information + if self._run_mode == 2: + self._read_criticality() + + def _read_criticality(self): + # Read criticality information + if self._run_mode == 2: + + self._n_inactive = self._get_int(path='n_inactive')[0] + self._gen_per_batch = self._get_int(path='gen_per_batch')[0] + self._k_batch = self._get_double( + self._current_batch*self._gen_per_batch, + path='k_generation') + self._entropy = self._get_double( + self._current_batch*self._gen_per_batch, path='entropy') + + self._k_col_abs = self._get_double(path='k_col_abs')[0] + self._k_col_tra = self._get_double(path='k_col_tra')[0] + self._k_abs_tra = self._get_double(path='k_abs_tra')[0] + self._k_combined = self._get_double(2, path='k_combined') + + # Read CMFD information (if used) + self._read_cmfd() + + def _read_cmfd(self): + base = 'cmfd' + + # Read CMFD information + self._cmfd_on = self._get_int(path='cmfd_on')[0] + + if self._cmfd_on == 1: + + self._cmfd_indices = self._get_int(4, path='{0}/indices'.format(base)) + self._k_cmfd = self._get_double(self._current_batch, + path='{0}/k_cmfd'.format(base)) + self._cmfd_src = self._get_double_array(np.product(self._cmfd_indices), + path='{0}/cmfd_src'.format(base)) + self._cmfd_src = np.reshape(self._cmfd_src, tuple(self._cmfd_indices), + order='F') + self._cmfd_entropy = self._get_double(self._current_batch, + path='{0}/cmfd_entropy'.format(base)) + self._cmfd_balance = self._get_double(self._current_batch, + path='{0}/cmfd_balance'.format(base)) + self._cmfd_dominance = self._get_double(self._current_batch, + path='{0}/cmfd_dominance'.format(base)) + self._cmfd_srccmp = self._get_double(self._current_batch, + path='{0}/cmfd_srccmp'.format(base)) + + def _read_meshes(self): + # Initialize dictionaries for the Meshes + # Keys - Mesh IDs + # Values - Mesh objects + self._meshes = {} + + # Read the number of Meshes + self._n_meshes = self._get_int(path='tallies/meshes/n_meshes')[0] + + # Read a list of the IDs for each Mesh + if self._n_meshes > 0: + + # OpenMC Mesh IDs (redefined internally from user definitions) + self._mesh_ids = self._get_int(self._n_meshes, + path='tallies/meshes/ids') + + # User-defined Mesh IDs + self._mesh_keys = self._get_int(self._n_meshes, + path='tallies/meshes/keys') + + else: + self._mesh_keys = [] + self._mesh_ids = [] + + # Build dictionary of Meshes + base = 'tallies/meshes/mesh ' + + # Iterate over all Meshes + for mesh_key in self._mesh_keys: + + # Read the user-specified Mesh ID and type + mesh_id = self._get_int(path='{0}{1}/id'.format(base, mesh_key))[0] + mesh_type = self._get_int(path='{0}{1}/type'.format(base, mesh_key))[0] + + # Get the Mesh dimension + n_dimension = self._get_int( + path='{0}{1}/n_dimension'.format(base, mesh_key))[0] + + # Read the mesh dimensions, lower-left coordinates, + # upper-right coordinates, and width of each mesh cell + dimension = self._get_int( + n_dimension, path='{0}{1}/dimension'.format(base, mesh_key)) + lower_left = self._get_double( + n_dimension, path='{0}{1}/lower_left'.format(base, mesh_key)) + upper_right = self._get_double( + n_dimension, path='{0}{1}/upper_right'.format(base, mesh_key)) + width = self._get_double( + n_dimension, path='{0}{1}/width'.format(base, mesh_key)) + + # Create the Mesh and assign properties to it + mesh = openmc.Mesh(mesh_id) + + mesh.dimension = dimension + mesh.width = width + mesh.lower_left = lower_left + mesh.upper_right = upper_right + + #FIXME: Set the mesh type to 'rectangular' by default + mesh.type = 'rectangular' + + # Add mesh to the global dictionary of all Meshes + self._meshes[mesh_id] = mesh + + def _read_tallies(self): + # Initialize dictionaries for the Tallies + # Keys - Tally IDs + # Values - Tally objects + self._tallies = {} + + # Read the number of tallies + self._n_tallies = self._get_int(path='/tallies/n_tallies')[0] + + # Read a list of the IDs for each Tally + if self._n_tallies > 0: + + # OpenMC Tally IDs (redefined internally from user definitions) + self._tally_ids = self._get_int( + self._n_tallies, path='tallies/ids') + + # User-defined Tally IDs + self._tally_keys = self._get_int( + self._n_tallies, path='tallies/keys') + + else: + self._tally_keys = [] + self._tally_ids = [] + + base = 'tallies/tally ' + + # Iterate over all Tallies + for tally_key in self._tally_keys: + + # Read integer Tally estimator type code (analog or tracklength) + estimator_type = self._get_int( + path='{0}{1}/estimator'.format(base, tally_key))[0] + + # Read the Tally size specifications + n_realizations = self._get_int( + path='{0}{1}/n_realizations'.format(base, tally_key))[0] + + # Create Tally object and assign basic properties + tally = openmc.Tally(tally_key) + tally.estimator = ESTIMATOR_TYPES[estimator_type] + tally.num_realizations = n_realizations + + # Read the number of Filters + n_filters = self._get_int( + path='{0}{1}/n_filters'.format(base, tally_key))[0] + + subbase = '{0}{1}/filter '.format(base, tally_key) + + # Initialize all Filters + for j in range(1, n_filters+1): + + # Read the integer Filter type code + filter_type = self._get_int( + path='{0}{1}/type'.format(subbase, j))[0] + + # Read the Filter offset + offset = self._get_int( + path='{0}{1}/offset'.format(subbase, j))[0] + + n_bins = self._get_int( + path='{0}{1}/n_bins'.format(subbase, j))[0] + + if n_bins <= 0: + msg = 'Unable to create Filter "{0}" for Tally ID="{1}" ' \ + 'since no bins were specified'.format(j, tally_key) + raise ValueError(msg) + + # Read the bin values + if FILTER_TYPES[filter_type] in ['energy', 'energyout']: + bins = self._get_double( + n_bins+1, path='{0}{1}/bins'.format(subbase, j)) + + elif FILTER_TYPES[filter_type] in ['mesh', 'distribcell']: + bins = self._get_int( + path='{0}{1}/bins'.format(subbase, j))[0] + + else: + bins = self._get_int( + n_bins, path='{0}{1}/bins'.format(subbase, j)) + + # Create Filter object + filter = openmc.Filter(FILTER_TYPES[filter_type], bins) + filter.offset = offset + filter.num_bins = n_bins + + if FILTER_TYPES[filter_type] == 'mesh': + key = self._mesh_keys[self._mesh_ids.index(bins)] + filter.mesh = self._meshes[key] + + # Add Filter to the Tally + tally.add_filter(filter) + + # Read Nuclide bins + n_nuclides = self._get_int( + path='{0}{1}/n_nuclides'.format(base, tally_key))[0] + + nuclide_zaids = self._get_int( + n_nuclides, path='{0}{1}/nuclides'.format(base, tally_key)) + + # Add all Nuclides to the Tally + for nuclide_zaid in nuclide_zaids: + tally.add_nuclide(nuclide_zaid) + + # Read score bins + n_score_bins = self._get_int( + path='{0}{1}/n_score_bins'.format(base, tally_key))[0] + + tally.num_score_bins = n_score_bins + + scores = [SCORE_TYPES[j] for j in self._get_int( + n_score_bins, path='{0}{1}/score_bins'.format(base, tally_key))] + n_user_scores = self._get_int( + path='{0}{1}/n_user_score_bins'.format(base, tally_key))[0] + + # Compute and set the filter strides + for i in range(n_filters): + filter = tally.filters[i] + filter.stride = n_score_bins * n_nuclides + + for j in range(i+1, n_filters): + filter.stride *= tally.filters[j].num_bins + + # Read scattering moment order strings (e.g., P3, Y-1,2, etc.) + moments = [] + subbase = '{0}{1}/moments/'.format(base, tally_key) + + # Extract the moment order string for each score + for k in range(len(scores)): + moment = self._get_string(8, + path='{0}order{1}'.format(subbase, k+1)) + moment = moment.lstrip('[\'') + moment = moment.rstrip('\']') + + # Remove extra whitespace + moment.replace(" ", "") + moments.append(moment) + + # Add the scores to the Tally + for j, score in enumerate(scores): + # If this is a scattering moment, insert the scattering order + if '-n' in score: + score = score.replace('-n', '-' + str(moments[j])) + elif '-pn' in score: + score = score.replace('-pn', '-' + str(moments[j])) + elif '-yn' in score: + score = score.replace('-yn', '-' + str(moments[j])) + + tally.add_score(score) + + # Add Tally to the global dictionary of all Tallies + self.tallies[tally_key] = tally + + def read_results(self): + """Read tally results and store them in the ``tallies`` attribute. No results + are read when the statepoint is instantiated. + + """ + + # Number of realizations for global Tallies + self._n_realizations = self._get_int(path='n_realizations')[0] + + # Read global Tallies + n_global_tallies = self._get_int(path='n_global_tallies')[0] + + if self._hdf5: + data = self._f['global_tallies'].value + self._global_tallies = np.column_stack((data['sum'], data['sum_sq'])) + + else: + self._global_tallies = np.array(self._get_double(2*n_global_tallies)) + self._global_tallies.shape = (n_global_tallies, 2) + + # Flag indicating if Tallies are present + self._tallies_present = self._get_int(path='tallies/tallies_present')[0] + + base = 'tallies/tally ' + + # Read Tally results + if self._tallies_present: + + # Iterate over and extract the results for all Tallies + for tally_key in self._tally_keys: + + # Get this Tally + tally = self._tallies[tally_key] + + # Compute the total number of bins for this Tally + num_tot_bins = tally.num_bins + + # Extract Tally data from the file + if self._hdf5: + data = self._f['{0}{1}/results'.format(base, tally_key)].value + sum = data['sum'] + sum_sq = data['sum_sq'] + + else: + results = np.array(self._get_double(2*num_tot_bins)) + sum = results[0::2] + sum_sq = results[1::2] + + # Define a routine to convert 0 to 1 + def nonzero(val): + return 1 if not val else val + + # Reshape the results arrays + new_shape = (nonzero(tally.num_filter_bins), + nonzero(tally.num_nuclides), + nonzero(tally.num_score_bins)) + + sum = np.reshape(sum, new_shape) + sum_sq = np.reshape(sum_sq, new_shape) + + # Set the data for this Tally + tally.sum = sum + tally.sum_sq = sum_sq + + # Indicate that Tally results have been read + self._results = True + + def read_source(self): + """Read and store source sites from the statepoint file. By default, source + sites are not loaded upon initialization. + + """ + + # Check whether Tally results have been read + if not self._results: + self.read_results() + + # Check if source bank is in statepoint + if not self._source_present: + print('Unable to read source since it is not in statepoint file') + return + + # Initialize a NumPy array for the source sites + self._source = np.empty(self._n_particles, dtype=SourceSite) + + # For HDF5 state points, copy entire bank + if self._hdf5: + source_sites = self._f['source_bank'].value + + # Initialize SourceSite object for each particle + for i in range(self._n_particles): + # Initialize new source site + site = SourceSite() + + # Read position, angle, and energy + if self._hdf5: + site._weight, site._xyz, site._uvw, site._E = source_sites[i] + else: + site._weight = self._get_double()[0] + site._xyz = self._get_double(3) + site._uvw = self._get_double(3) + site._E = self._get_double()[0] + + # Store the source site in the NumPy array + self._source[i] = site + + def compute_ci(self, confidence=0.95): + """Computes confidence intervals for each Tally bin. + + This method is equivalent to calling compute_stdev(...) when the + confidence is known as opposed to its corresponding t value. + + Parameters + ---------- + confidence : float, optional + Confidence level. Defaults to 0.95. + + """ + + # Determine significance level and percentile for two-sided CI + alpha = 1 - confidence + percentile = 1 - alpha/2 + + # Calculate t-value + t_value = scipy.stats.t.ppf(percentile, self._n_realizations - 1) + self.compute_stdev(t_value) + + def compute_stdev(self, t_value=1.0): + """Computes the sample mean and the standard deviation of the mean + for each Tally bin. + + Parameters + ---------- + t_value : float, optional + Student's t-value applied to the uncertainty. Defaults to 1.0, + meaning the reported value is the sample standard deviation. + + """ + + # Determine number of realizations + n = self._n_realizations + + # Calculate the standard deviation for each global tally + for i in range(len(self._global_tallies)): + + # Get sum and sum of squares + s, s2 = self._global_tallies[i] + + # Calculate sample mean and replace value + s /= n + self._global_tallies[i, 0] = s + + # Calculate standard deviation + if s != 0.0: + self._global_tallies[i, 1] = t_value * np.sqrt((s2 / n - s**2) / (n-1)) + + # Calculate sample mean and standard deviation for user-defined Tallies + for tally_id, tally in self.tallies.items(): + tally.compute_std_dev(t_value) + + def get_tally(self, scores=[], filters=[], nuclides=[], + name=None, id=None, estimator=None): + """Finds and returns a Tally object with certain properties. + + This routine searches the list of Tallies and returns the first Tally + found it finds which satisfies all of the input parameters. + NOTE: The input parameters do not need to match the complete Tally + specification and may only represent a subset of the Tally's properties. + + Parameters + ---------- + scores : list, optional + A list of one or more score strings (default is []). + filters : list, optional + A list of Filter objects (default is []). + nuclides : list, optional + A list of Nuclide objects (default is []). + name : str, optional + The name specified for the Tally (default is None). + id : int, optional + The id specified for the Tally (default is None). + estimator: str, optional + The type of estimator ('tracklength', 'analog'; default is None). + + Returns + ------- + tally : Tally + A tally matching the specified criteria + + Raises + ------ + LookupError + If a Tally meeting all of the input parameters cannot be found in + the statepoint. + + """ + + tally = None + + # Iterate over all tallies to find the appropriate one + for tally_id, test_tally in self.tallies.items(): + + # Determine if Tally has queried name + if name and name != test_tally.name: + continue + + # Determine if Tally has queried id + if id and id != test_tally.id: + continue + + # Determine if Tally has queried estimator + if estimator and not estimator == test_tally.estimator: + continue + + # Determine if Tally has the queried score(s) + if scores: + contains_scores = True + + # Iterate over the scores requested by the user + for score in scores: + if score not in test_tally.scores: + contains_scores = False + break + + if not contains_scores: + continue + + # Determine if Tally has the queried Filter(s) + if filters: + contains_filters = True + + # Iterate over the Filters requested by the user + for filter in filters: + if filter not in test_tally.filters: + contains_filters = False + break + + if not contains_filters: + continue + + # Determine if Tally has the queried Nuclide(s) + if nuclides: + contains_nuclides = True + + # Iterate over the Nuclides requested by the user + for nuclide in nuclides: + if nuclide not in test_tally.nuclides: + contains_nuclides = False + break + + if not contains_nuclides: + continue + + # If the current Tally met user's request, break loop and return it + tally = test_tally + break + + # If we did not find the Tally, return an error message + if tally is None: + raise LookupError('Unable to get Tally') + + return tally + + def link_with_summary(self, summary): + """Links Tallies and Filters with Summary model information. + + This routine retrieves model information (materials, geometry) from a + Summary object populated with an HDF5 'summary.h5' file and inserts it + into the Tally objects. This can be helpful when viewing and + manipulating large scale Tally data. Note that it is necessary to link + against a summary to populate the Tallies with any user-specified "name" + XML tags. + + Parameters + ---------- + summary : Summary + A Summary object. + + Raises + ------ + ValueError + An error when the argument passed to the 'summary' parameter is not + an openmc.Summary object. + + """ + + if not isinstance(summary, openmc.summary.Summary): + msg = 'Unable to link statepoint with "{0}" which ' \ + 'is not a Summary object'.format(summary) + raise ValueError(msg) + + for tally_id, tally in self.tallies.items(): + # Get the Tally name from the summary file + tally.name = summary.tallies[tally_id].name + tally.with_summary = True + + nuclide_zaids = copy.deepcopy(tally.nuclides) + + for nuclide_zaid in nuclide_zaids: + tally.remove_nuclide(nuclide_zaid) + if nuclide_zaid == -1: + tally.add_nuclide(openmc.Nuclide('total')) + else: + tally.add_nuclide(summary.nuclides[nuclide_zaid]) + + for filter in tally.filters: + if filter.type == 'surface': + surface_ids = [] + for bin in filter.bins: + surface_ids.append(summary.surfaces[bin].id) + filter.bins = surface_ids + + if filter.type in ['cell', 'distribcell']: + distribcell_ids = [] + for bin in filter.bins: + distribcell_ids.append(summary.cells[bin].id) + filter.bins = distribcell_ids + + if filter.type == 'universe': + universe_ids = [] + for bin in filter.bins: + universe_ids.append(summary.universes[bin].id) + filter.bins = universe_ids + + if filter.type == 'material': + material_ids = [] + for bin in filter.bins: + material_ids.append(summary.materials[bin].id) + filter.bins = material_ids + + self._with_summary = True + + def _get_data(self, n, typeCode, size): + return list(struct.unpack('={0}{1}'.format(n, typeCode), + self._f.read(n*size))) + + def _get_int(self, n=1, path=None): + if self._hdf5: + return [int(v) for v in self._f[path].value] + else: + return [int(v) for v in self._get_data(n, 'i', 4)] + + def _get_long(self, n=1, path=None): + if self._hdf5: + return [long(v) for v in self._f[path].value] + else: + return [long(v) for v in self._get_data(n, 'q', 8)] + + def _get_float(self, n=1, path=None): + if self._hdf5: + return [float(v) for v in self._f[path].value] + else: + return [float(v) for v in self._get_data(n, 'f', 4)] + + def _get_double(self, n=1, path=None): + if self._hdf5: + return [float(v) for v in self._f[path].value] + else: + return [float(v) for v in self._get_data(n, 'd', 8)] + + def _get_double_array(self, n=1, path=None): + if self._hdf5: + return self._f[path].value + else: + return self._get_data(n, 'd', 8) + + def _get_string(self, n=1, path=None): + if self._hdf5: + return str(self._f[path].value) + else: + return str(self._get_data(n, 's', 1)[0]) diff --git a/openmc/summary.py b/openmc/summary.py new file mode 100644 index 0000000000..7f9d5387e9 --- /dev/null +++ b/openmc/summary.py @@ -0,0 +1,725 @@ +import numpy as np + +import openmc + + +class Summary(object): + """Information summarizing the geometry, materials, and tallies used in a + simulation. + + """ + + def __init__(self, filename): + # A user may not have h5py, but they can still use the rest of the + # Python API so we'll only try to import h5py if the user actually inits + # a Summary object. + import h5py + + openmc.reset_auto_ids() + + if not filename.endswith(('.h5', '.hdf5')): + msg = 'Unable to open "{0}" which is not an HDF5 summary file' + raise ValueError(msg) + + self._f = h5py.File(filename, 'r') + self.openmc_geometry = None + self.opencg_geometry = None + + self._read_metadata() + self._read_geometry() + self._read_tallies() + + def _read_metadata(self): + # Read OpenMC version + self.version = [self._f['version_major'][0], + self._f['version_minor'][0], + self._f['version_release'][0]] + # Read date and time + self.date_and_time = self._f['date_and_time'][...] + + self.n_batches = self._f['n_batches'][0] + self.n_particles = self._f['n_particles'][0] + self.n_active = self._f['n_active'][0] + self.n_inactive = self._f['n_inactive'][0] + self.gen_per_batch = self._f['gen_per_batch'][0] + self.n_procs = self._f['n_procs'][0] + + def _read_geometry(self): + # Read in and initialize the Materials and Geometry + self._read_nuclides() + self._read_materials() + self._read_surfaces() + self._read_cells() + self._read_universes() + self._read_lattices() + self._finalize_geometry() + + def _read_nuclides(self): + self.n_nuclides = self._f['nuclides/n_nuclides'][0] + + # Initialize dictionary for each Nuclide + # Keys - Nuclide ZAIDs + # Values - Nuclide objects + self.nuclides = {} + + for key in self._f['nuclides'].keys(): + if key == 'n_nuclides': + continue + + index = self._f['nuclides'][key]['index'][0] + alias = self._f['nuclides'][key]['alias'][0] + zaid = self._f['nuclides'][key]['zaid'][0] + + # Read the Nuclide's name (e.g., 'H-1' or 'U-235') + name = alias.split('.')[0] + + # Read the Nuclide's cross-section identifier (e.g., '70c') + xs = alias.split('.')[1] + + # Initialize this Nuclide and add to global dictionary of Nuclides + if 'nat' in name: + self.nuclides[zaid] = openmc.Element(name=name, xs=xs) + else: + self.nuclides[zaid] = openmc.Nuclide(name=name, xs=xs) + self.nuclides[zaid].zaid = zaid + + def _read_materials(self): + self.n_materials = self._f['materials/n_materials'][0] + + # Initialize dictionary for each Material + # Keys - Material keys + # Values - Material objects + self.materials = {} + + for key in self._f['materials'].keys(): + if key == 'n_materials': + continue + + material_id = int(key.lstrip('material ')) + index = self._f['materials'][key]['index'][0] + name = self._f['materials'][key]['name'][0] + density = self._f['materials'][key]['atom_density'][0] + nuc_densities = self._f['materials'][key]['nuclide_densities'][...] + nuclides = self._f['materials'][key]['nuclides'][...] + n_sab = self._f['materials'][key]['n_sab'][0] + + sab_names = [] + sab_xs = [] + + # Read the names of the S(a,b) tables for this Material + for i in range(1, n_sab+1): + sab_table = self._f['materials'][key]['sab_tables'][str(i)][0] + + # Read the cross-section identifiers for each S(a,b) table + sab_names.append(sab_table.split('.')[0]) + sab_xs.append(sab_table.split('.')[1]) + + # Create the Material + material = openmc.Material(material_id=material_id, name=name) + + # Set the Material's density to g/cm3 - this is what is used in OpenMC + material.set_density(density=density, units='g/cm3') + + # Add all Nuclides to the Material + for i, zaid in enumerate(nuclides): + nuclide = self.get_nuclide_by_zaid(zaid) + density = nuc_densities[i] + + if isinstance(nuclide, openmc.Nuclide): + material.add_nuclide(nuclide, percent=density, percent_type='ao') + elif isinstance(nuclide, openmc.Element): + material.add_element(nuclide, percent=density, percent_type='ao') + + # Add S(a,b) table(s?) to the Material + for i in range(n_sab): + name = sab_names[i] + xs = sab_xs[i] + material.add_s_alpha_beta(name, xs) + + # Add the Material to the global dictionary of all Materials + self.materials[index] = material + + def _read_surfaces(self): + self.n_surfaces = self._f['geometry/n_surfaces'][0] + + # Initialize dictionary for each Surface + # Keys - Surface keys + # Values - Surfacee objects + self.surfaces = {} + + for key in self._f['geometry/surfaces'].keys(): + if key == 'n_surfaces': + continue + + surface_id = int(key.lstrip('surface ')) + index = self._f['geometry/surfaces'][key]['index'][0] + name = self._f['geometry/surfaces'][key]['name'][0] + surf_type = self._f['geometry/surfaces'][key]['type'][...][0] + bc = self._f['geometry/surfaces'][key]['boundary_condition'][...][0] + coeffs = self._f['geometry/surfaces'][key]['coefficients'][...] + + # Create the Surface based on its type + if surf_type == 'X Plane': + x0 = coeffs[0] + surface = openmc.XPlane(surface_id, bc, x0, name) + + elif surf_type == 'Y Plane': + y0 = coeffs[0] + surface = openmc.YPlane(surface_id, bc, y0, name) + + elif surf_type == 'Z Plane': + z0 = coeffs[0] + surface = openmc.ZPlane(surface_id, bc, z0, name) + + elif surf_type == 'Plane': + A = coeffs[0] + B = coeffs[1] + C = coeffs[2] + D = coeffs[3] + surface = openmc.Plane(surface_id, bc, A, B, C, D, name) + + elif surf_type == 'X Cylinder': + y0 = coeffs[0] + z0 = coeffs[1] + R = coeffs[2] + surface = openmc.XCylinder(surface_id, bc, y0, z0, R, name) + + elif surf_type == 'Y Cylinder': + x0 = coeffs[0] + z0 = coeffs[1] + R = coeffs[2] + surface = openmc.YCylinder(surface_id, bc, x0, z0, R, name) + + elif surf_type == 'Z Cylinder': + x0 = coeffs[0] + y0 = coeffs[1] + R = coeffs[2] + surface = openmc.ZCylinder(surface_id, bc, x0, y0, R, name) + + elif surf_type == 'Sphere': + x0 = coeffs[0] + y0 = coeffs[1] + z0 = coeffs[2] + R = coeffs[3] + surface = openmc.Sphere(surface_id, bc, x0, y0, z0, R, name) + + elif surf_type in ['X Cone', 'Y Cone', 'Z Cone']: + x0 = coeffs[0] + y0 = coeffs[1] + z0 = coeffs[2] + R2 = coeffs[3] + + if surf_type == 'X Cone': + surface = openmc.XCone(surface_id, bc, x0, y0, z0, R2, name) + if surf_type == 'Y Cone': + surface = openmc.YCone(surface_id, bc, x0, y0, z0, R2, name) + if surf_type == 'Z Cone': + surface = openmc.ZCone(surface_id, bc, x0, y0, z0, R2, name) + + # Add Surface to global dictionary of all Surfaces + self.surfaces[index] = surface + + def _read_cells(self): + self.n_cells = self._f['geometry/n_cells'][0] + + # Initialize dictionary for each Cell + # Keys - Cell keys + # Values - Cell objects + self.cells = {} + + # Initialize dictionary for each Cell's fill + # (e.g., Material, Universe or Lattice ID) + # This dictionary is used later to link the fills with + # the corresponding objects + # Keys - Cell keys + # Values - Filling Material, Universe or Lattice ID + self._cell_fills = {} + + for key in self._f['geometry/cells'].keys(): + if key == 'n_cells': + continue + + cell_id = int(key.lstrip('cell ')) + index = self._f['geometry/cells'][key]['index'][0] + name = self._f['geometry/cells'][key]['name'][0] + fill_type = self._f['geometry/cells'][key]['fill_type'][...][0] + + if fill_type == 'normal': + fill = self._f['geometry/cells'][key]['material'][0] + elif fill_type == 'universe': + fill = self._f['geometry/cells'][key]['fill'][0] + else: + fill = self._f['geometry/cells'][key]['lattice'][0] + + if 'surfaces' in self._f['geometry/cells'][key].keys(): + surfaces = self._f['geometry/cells'][key]['surfaces'][...] + else: + surfaces = [] + + # Create this Cell + cell = openmc.Cell(cell_id=cell_id, name=name) + + if fill_type == 'universe': + maps = self._f['geometry/cells'][key]['maps'][0] + + if maps > 0: + offset = self._f['geometry/cells'][key]['offset'][...] + cell.set_offset(offset) + + translated = self._f['geometry/cells'][key]['translated'][0] + if translated: + translation = \ + self._f['geometry/cells'][key]['translation'][...] + translation = np.asarray(translation, dtype=np.float64) + cell.translation = translation + + rotated = self._f['geometry/cells'][key]['rotated'][0] + if rotated: + rotation = \ + self._f['geometry/cells'][key]['rotation'][...] + rotation = np.asarray(rotation, dtype=np.int) + cell.rotation = rotation + + # Store Cell fill information for after Universe/Lattice creation + self._cell_fills[index] = (fill_type, fill) + + # Iterate over all Surfaces and add them to the Cell + for surface_halfspace in surfaces: + + halfspace = np.sign(surface_halfspace) + surface_id = np.abs(surface_halfspace) + surface = self.surfaces[surface_id] + cell.add_surface(surface, halfspace) + + # Add the Cell to the global dictionary of all Cells + self.cells[index] = cell + + def _read_universes(self): + self.n_universes = self._f['geometry/n_universes'][0] + + # Initialize dictionary for each Universe + # Keys - Universe keys + # Values - Universe objects + self.universes = {} + + for key in self._f['geometry/universes'].keys(): + if key == 'n_universes': + continue + + universe_id = int(key.lstrip('universe ')) + index = self._f['geometry/universes'][key]['index'][0] + cells = self._f['geometry/universes'][key]['cells'][...] + + # Create this Universe + universe = openmc.Universe(universe_id=universe_id) + + # Add each Cell to the Universe + for cell_id in cells: + cell = self.cells[cell_id] + universe.add_cell(cell) + + # Add the Universe to the global list of Universes + self.universes[index] = universe + + def _read_lattices(self): + self.n_lattices = self._f['geometry/n_lattices'][0] + + # Initialize lattices for each Lattice + # Keys - Lattice keys + # Values - Lattice objects + self.lattices = {} + + for key in self._f['geometry/lattices'].keys(): + if key == 'n_lattices': + continue + + lattice_id = int(key.lstrip('lattice ')) + index = self._f['geometry/lattices'][key]['index'][0] + name = self._f['geometry/lattices'][key]['name'][0] + lattice_type = self._f['geometry/lattices'][key]['type'][...][0] + maps = self._f['geometry/lattices'][key]['maps'][0] + offset_size = self._f['geometry/lattices'][key]['offset_size'][0] + + if offset_size > 0: + offsets = self._f['geometry/lattices'][key]['offsets'][...] + + if lattice_type == 'rectangular': + dimension = self._f['geometry/lattices'][key]['dimension'][...] + lower_left = \ + self._f['geometry/lattices'][key]['lower_left'][...] + pitch = self._f['geometry/lattices'][key]['pitch'][...] + outer = self._f['geometry/lattices'][key]['outer'][0] + + universe_ids = \ + self._f['geometry/lattices'][key]['universes'][...] + universe_ids = np.swapaxes(universe_ids, 0, 1) + universe_ids = np.swapaxes(universe_ids, 1, 2) + + # Create the Lattice + lattice = openmc.RectLattice(lattice_id=lattice_id, name=name) + lattice.dimension = tuple(dimension) + lattice.lower_left = lower_left + lattice.pitch = pitch + + # If the Universe specified outer the Lattice is not void (-22) + if outer != -22: + lattice.outer = self.universes[outer] + + # Build array of Universe pointers for the Lattice + universes = \ + np.ndarray(tuple(universe_ids.shape), dtype=openmc.Universe) + + for x in range(universe_ids.shape[0]): + for y in range(universe_ids.shape[1]): + for z in range(universe_ids.shape[2]): + universes[x, y, z] = \ + self.get_universe_by_id(universe_ids[x, y, z]) + + # Transpose, reverse y-dimension for appropriate ordering + shape = universes.shape + universes = np.transpose(universes, (1, 0, 2)) + universes.shape = shape + universes = universes[:, ::-1, :] + lattice.universes = universes + + if offset_size > 0: + offsets = np.swapaxes(offsets, 0, 1) + offsets = np.swapaxes(offsets, 1, 2) + lattice.offsets = offsets + + # Add the Lattice to the global dictionary of all Lattices + self.lattices[index] = lattice + + if lattice_type == 'hexagonal': + n_rings = self._f['geometry/lattices'][key]['n_rings'][0] + n_axial = self._f['geometry/lattices'][key]['n_axial'][0] + center = self._f['geometry/lattices'][key]['center'][...] + pitch = self._f['geometry/lattices'][key]['pitch'][...] + outer = self._f['geometry/lattices'][key]['outer'][0] + + universe_ids = self._f[ + 'geometry/lattices'][key]['universes'][...] + + # Create the Lattice + lattice = openmc.HexLattice(lattice_id=lattice_id, name=name) + lattice.num_rings = n_rings + lattice.num_axial = n_axial + lattice.center = center + lattice.pitch = pitch + + # If the Universe specified outer the Lattice is not void (-22) + if outer != -22: + lattice.outer = self.universes[outer] + + # Build array of Universe pointers for the Lattice. Note that + # we need to convert between the HDF5's square array of + # (x, alpha, z) to the Python API's format of a ragged nested + # list of (z, ring, theta). + universes = [] + for z in range(lattice.num_axial): + # Add a list for this axial level. + universes.append([]) + x = lattice.num_rings - 1 + a = 2*lattice.num_rings - 2 + for r in range(lattice.num_rings - 1, 0, -1): + # Add a list for this ring. + universes[-1].append([]) + + # Climb down the top-right. + for i in range(r): + universes[-1][-1].append(universe_ids[z, a, x]) + x += 1 + a -= 1 + + # Climb down the right. + for i in range(r): + universes[-1][-1].append(universe_ids[z, a, x]) + a -= 1 + + # Climb down the bottom-right. + for i in range(r): + universes[-1][-1].append(universe_ids[z, a, x]) + x -= 1 + + # Climb up the bottom-left. + for i in range(r): + universes[-1][-1].append(universe_ids[z, a, x]) + x -= 1 + a += 1 + + # Climb up the left. + for i in range(r): + universes[-1][-1].append(universe_ids[z, a, x]) + a += 1 + + # Climb up the top-left. + for i in range(r): + universes[-1][-1].append(universe_ids[z, a, x]) + x += 1 + + # Move down to the next ring. + a -= 1 + + # Convert the ids into Universe objects. + universes[-1][-1] = [self.get_universe_by_id(u_id) + for u_id in universes[-1][-1]] + + # Handle the degenerate center ring separately. + u_id = universe_ids[z, a, x] + universes[-1].append([self.get_universe_by_id(u_id)]) + + # Add the universes to the lattice. + if len(pitch) == 2: + # Lattice is 3D + lattice.universes = universes + else: + # Lattice is 2D; extract the only axial level + lattice.universes = universes[0] + + if offset_size > 0: + lattice.offsets = offsets + + # Add the Lattice to the global dictionary of all Lattices + self.lattices[index] = lattice + + def _finalize_geometry(self): + # Initialize Geometry object + self.openmc_geometry = openmc.Geometry() + + # Iterate over all Cells and add fill Materials, Universes and Lattices + for cell_key in self._cell_fills.keys(): + # Determine fill type ('normal', 'universe', or 'lattice') and ID + fill_type = self._cell_fills[cell_key][0] + fill_id = self._cell_fills[cell_key][1] + + # Retrieve the object corresponding to the fill type and ID + if fill_type == 'normal': + if fill_id > 0: + fill = self.get_material_by_id(fill_id) + else: + fill = 'void' + elif fill_type == 'universe': + fill = self.get_universe_by_id(fill_id) + else: + fill = self.get_lattice_by_id(fill_id) + + # Set the fill for the Cell + self.cells[cell_key].fill = fill + + # Set the root universe for the Geometry + root_universe = self.get_universe_by_id(0) + self.openmc_geometry.root_universe = root_universe + + def _read_tallies(self): + # Initialize dictionaries for the Tallies + # Keys - Tally IDs + # Values - Tally objects + self.tallies = {} + + # Read the number of tallies + if 'tallies' not in self._f: + self.n_tallies = 0 + return + + self.n_tallies = self._f['tallies/n_tallies'][0] + + # OpenMC Tally keys + all_keys = self._f['tallies/'].keys() + tally_keys = [key for key in all_keys if 'tally' in key] + + base = 'tallies/tally ' + + # Iterate over all Tallies + for tally_key in tally_keys: + + tally_id = int(tally_key.strip('tally ')) + subbase = '{0}{1}'.format(base, tally_id) + + # Read Tally name metadata + name_size = self._f['{0}/name_size'.format(subbase)][0] + if (name_size > 0): + tally_name = self._f['{0}/name'.format(subbase)][0] + tally_name = tally_name.lstrip('[\'') + tally_name = tally_name.rstrip('\']') + else: + tally_name = '' + + # Create Tally object and assign basic properties + tally = openmc.Tally(tally_id, tally_name) + + # Read score metadata + score_bins = self._f['{0}/score_bins'.format(subbase)][...] + for score_bin in score_bins: + tally.add_score(openmc.SCORE_TYPES[score_bin]) + num_score_bins = self._f['{0}/n_score_bins'.format(subbase)][...] + tally.num_score_bins = num_score_bins + + # Read filter metadata + num_filters = self._f['{0}/n_filters'.format(subbase)][0] + + # Initialize all Filters + for j in range(1, num_filters+1): + + subsubbase = '{0}/filter {1}'.format(subbase, j) + + # Read filter type (e.g., "cell", "energy", etc.) + filter_type_code = self._f['{0}/type'.format(subsubbase)][0] + filter_type = openmc.FILTER_TYPES[filter_type_code] + + # Read the filter bins + num_bins = self._f['{0}/n_bins'.format(subsubbase)][0] + bins = self._f['{0}/bins'.format(subsubbase)][...] + + # Create Filter object + filter = openmc.Filter(filter_type, bins) + filter.num_bins = num_bins + + # Add Filter to the Tally + tally.add_filter(filter) + + # Add Tally to the global dictionary of all Tallies + self.tallies[tally_id] = tally + + def make_opencg_geometry(self): + """Create OpenCG geometry based on the information contained in the summary + file. The geometry is stored as the 'opencg_geometry' attribute. + + """ + + try: + from openmc.opencg_compatible import get_opencg_geometry + except ImportError: + msg = 'Unable to import opencg which is needed ' \ + 'by Summary.make_opencg_geometry()' + raise ImportError(msg) + + if self.opencg_geometry is None: + self.opencg_geometry = get_opencg_geometry(self.openmc_geometry) + + def get_nuclide_by_zaid(self, zaid): + """Return a Nuclide object given the 'zaid' identifier for the nuclide. + + Parameters + ---------- + zaid : int + 1000*Z + A, where Z is the atomic number of the nuclide and A is the + mass number. For example, the zaid for U-235 is 92235. + + Returns + ------- + nuclide : openmc.nuclide.Nuclide or None + Nuclide matching the specified zaid, or None if no matching object + is found. + + """ + + for index, nuclide in self.nuclides.items(): + if nuclide._zaid == zaid: + return nuclide + + return None + + def get_material_by_id(self, material_id): + """Return a Material object given the material id + + Parameters + ---------- + id : int + Unique identifier for the material + + Returns + ------- + material : openmc.material.Material + Material with given id + + """ + + for index, material in self.materials.items(): + if material._id == material_id: + return material + + return None + + def get_surface_by_id(self, surface_id): + """Return a Surface object given the surface id + + Parameters + ---------- + id : int + Unique identifier for the surface + + Returns + ------- + surface : openmc.surface.Surface + Surface with given id + + """ + + for index, surface in self.surfaces.items(): + if surface._id == surface_id: + return surface + + return None + + def get_cell_by_id(self, cell_id): + """Return a Cell object given the cell id + + Parameters + ---------- + id : int + Unique identifier for the cell + + Returns + ------- + cell : openmc.universe.Cell + Cell with given id + + """ + + for index, cell in self.cells.items(): + if cell._id == cell_id: + return cell + + return None + + def get_universe_by_id(self, universe_id): + """Return a Universe object given the universe id + + Parameters + ---------- + id : int + Unique identifier for the universe + + Returns + ------- + universe : openmc.universe.Universe + Universe with given id + + """ + + for index, universe in self.universes.items(): + if universe._id == universe_id: + return universe + + return None + + def get_lattice_by_id(self, lattice_id): + """Return a Lattice object given the lattice id + + Parameters + ---------- + id : int + Unique identifier for the lattice + + Returns + ------- + lattice : openmc.universe.Lattice + Lattice with given id + + """ + + for index, lattice in self.lattices.items(): + if lattice._id == lattice_id: + return lattice + + return None diff --git a/openmc/surface.py b/openmc/surface.py new file mode 100644 index 0000000000..d5d258fa7a --- /dev/null +++ b/openmc/surface.py @@ -0,0 +1,938 @@ +from abc import ABCMeta +from numbers import Real, Integral +from xml.etree import ElementTree as ET +import sys + +from openmc.checkvalue import check_type, check_value, check_greater_than +from openmc.constants import BC_TYPES + +if sys.version_info[0] >= 3: + basestring = str + +# A static variable for auto-generated Surface IDs +AUTO_SURFACE_ID = 10000 + + +def reset_auto_surface_id(): + global AUTO_SURFACE_ID + AUTO_SURFACE_ID = 10000 + + +class Surface(object): + """A two-dimensional surface that can be used define regions of space with an + associated boundary condition. + + Parameters + ---------- + surface_id : int, optional + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'}, optional + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + name : str, optional + Name of the surface. If not specified, the name will be the empty + string. + + Attributes + ---------- + id : int + Unique identifier for the surface + name : str + Name of the surface + type : str + Type of the surface, e.g. 'x-plane' + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. + coeffs : dict + Dictionary of surface coefficients + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', name=''): + # Initialize class attributes + self.id = surface_id + self.name = name + self._type = '' + self.boundary_type = boundary_type + + # A dictionary of the quadratic surface coefficients + # Key - coefficeint name + # Value - coefficient value + self._coeffs = {} + + # An ordered list of the coefficient names to export to XML in the + # proper order + self._coeff_keys = [] + + @property + def id(self): + return self._id + + @property + def name(self): + return self._name + + @property + def type(self): + return self._type + + @property + def boundary_type(self): + return self._boundary_type + + @property + def coeffs(self): + return self._coeffs + + @id.setter + def id(self, surface_id): + if surface_id is None: + global AUTO_SURFACE_ID + self._id = AUTO_SURFACE_ID + AUTO_SURFACE_ID += 1 + else: + check_type('surface ID', surface_id, Integral) + check_greater_than('surface ID', surface_id, 0) + self._id = surface_id + + @name.setter + def name(self, name): + check_type('surface name', name, basestring) + self._name = name + + @boundary_type.setter + def boundary_type(self, boundary_type): + check_type('boundary type', boundary_type, basestring) + check_value('boundary type', boundary_type, BC_TYPES.values()) + self._boundary_type = boundary_type + + def __repr__(self): + string = 'Surface\n' + string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id) + string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name) + string += '{0: <16}{1}{2}\n'.format('\tType', '=\t', self._type) + string += '{0: <16}{1}{2}\n'.format('\tBoundary', '=\t', self._boundary_type) + + coeffs = '{0: <16}'.format('\tCoefficients') + '\n' + + for coeff in self._coeffs: + coeffs += '{0: <16}{1}{2}\n'.format(coeff, '=\t', self._coeffs[coeff]) + + string += coeffs + + return string + + def create_xml_subelement(self): + element = ET.Element("surface") + element.set("id", str(self._id)) + + if len(self._name) > 0: + element.set("name", str(self._name)) + + element.set("type", self._type) + element.set("boundary", self._boundary_type) + element.set("coeffs", ' '.join([str(self._coeffs[key]) + for key in self._coeff_keys])) + + return element + + +class Plane(Surface): + """An arbitrary plane of the form :math:`Ax + By + Cz = D`. + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + A : float + The 'A' parameter for the plane + B : float + The 'B' parameter for the plane + C : float + The 'C' parameter for the plane + D : float + The 'D' parameter for the plane + name : str + Name of the plane. If not specified, the name will be the empty string. + + Attributes + ---------- + a : float + The 'A' parameter for the plane + b : float + The 'B' parameter for the plane + c : float + The 'C' parameter for the plane + d : float + The 'D' parameter for the plane + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', + A=None, B=None, C=None, D=None, name=''): + # Initialize Plane class attributes + super(Plane, self).__init__(surface_id, boundary_type, name=name) + + self._type = 'plane' + self._coeff_keys = ['A', 'B', 'C', 'D'] + + if A is not None: + self.a = A + + if B is not None: + self.b = B + + if C is not None: + self.c = C + + if D is not None: + self.d = D + + @property + def a(self): + return self.coeffs['A'] + + @property + def b(self): + return self.coeffs['B'] + + @property + def c(self): + return self.coeffs['C'] + + @property + def d(self): + return self.coeffs['D'] + + @a.setter + def a(self, A): + check_type('A coefficient', A, Real) + self._coeffs['A'] = A + + @b.setter + def b(self, B): + check_type('B coefficient', B, Real) + self._coeffs['B'] = B + + @c.setter + def c(self, C): + check_type('C coefficient', C, Real) + self._coeffs['C'] = C + + @d.setter + def d(self, D): + check_type('D coefficient', D, Real) + self._coeffs['D'] = D + + +class XPlane(Plane): + """A plane perpendicular to the x axis, i.e. a surface of the form :math:`x - + x_0 = 0` + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + x0 : float + Location of the plane + name : str + Name of the plane. If not specified, the name will be the empty string. + + Attributes + ---------- + x0 : float + Location of the plane + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', + x0=None, name=''): + # Initialize XPlane class attributes + super(XPlane, self).__init__(surface_id, boundary_type, name=name) + + self._type = 'x-plane' + self._coeff_keys = ['x0'] + + if x0 is not None: + self.x0 = x0 + + @property + def x0(self): + return self.coeff['x0'] + + @x0.setter + def x0(self, x0): + check_type('x0 coefficient', x0, Real) + self._coeffs['x0'] = x0 + + +class YPlane(Plane): + """A plane perpendicular to the y axis, i.e. a surface of the form :math:`y - + y_0 = 0` + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + y0 : float + Location of the plane + name : str + Name of the plane. If not specified, the name will be the empty string. + + Attributes + ---------- + y0 : float + Location of the plane + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', + y0=None, name=''): + # Initialize YPlane class attributes + super(YPlane, self).__init__(surface_id, boundary_type, name=name) + + self._type = 'y-plane' + self._coeff_keys = ['y0'] + + if y0 is not None: + self.y0 = y0 + + @property + def y0(self): + return self.coeffs['y0'] + + @y0.setter + def y0(self, y0): + check_type('y0 coefficient', y0, Real) + self._coeffs['y0'] = y0 + + +class ZPlane(Plane): + """A plane perpendicular to the z axis, i.e. a surface of the form :math:`z - + z_0 = 0` + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + z0 : float + Location of the plane + name : str + Name of the plane. If not specified, the name will be the empty string. + + Attributes + ---------- + z0 : float + Location of the plane + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', + z0=None, name=''): + # Initialize ZPlane class attributes + super(ZPlane, self).__init__(surface_id, boundary_type, name=name) + + self._type = 'z-plane' + self._coeff_keys = ['z0'] + + if z0 is not None: + self.z0 = z0 + + @property + def z0(self): + return self.coeffs['z0'] + + @z0.setter + def z0(self, z0): + check_type('z0 coefficient', z0, Real) + self._coeffs['z0'] = z0 + + +class Cylinder(Surface): + """A cylinder whose length is parallel to the x-, y-, or z-axis. + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + R : float + Radius of the cylinder + name : str + Name of the cylinder. If not specified, the name will be the empty + string. + + Attributes + ---------- + r : float + Radius of the cylinder + + """ + + __metaclass__ = ABCMeta + + def __init__(self, surface_id=None, boundary_type='transmission', + R=None, name=''): + # Initialize Cylinder class attributes + super(Cylinder, self).__init__(surface_id, boundary_type, name=name) + + self._coeff_keys = ['R'] + + if R is not None: + self.r = R + + @property + def r(self): + return self.coeffs['R'] + + @r.setter + def r(self, R): + check_type('R coefficient', R, Real) + self._coeffs['R'] = R + + +class XCylinder(Cylinder): + """An infinite cylinder whose length is parallel to the x-axis. This is a + quadratic surface of the form :math:`(y - y_0)^2 + (z - z_0)^2 = R^2`. + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + y0 : float + y-coordinate of the center of the cylinder + z0 : float + z-coordinate of the center of the cylinder + R : float + Radius of the cylinder + name : str + Name of the cylinder. If not specified, the name will be the empty + string. + + Attributes + ---------- + y0 : float + y-coordinate of the center of the cylinder + z0 : float + z-coordinate of the center of the cylinder + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', + y0=None, z0=None, R=None, name=''): + # Initialize XCylinder class attributes + super(XCylinder, self).__init__(surface_id, boundary_type, R, name=name) + + self._type = 'x-cylinder' + self._coeff_keys = ['y0', 'z0', 'R'] + + if y0 is not None: + self.y0 = y0 + + if z0 is not None: + self.z0 = z0 + + @property + def y0(self): + return self.coeffs['y0'] + + @property + def z0(self): + return self.coeffs['z0'] + + @y0.setter + def y0(self, y0): + check_type('y0 coefficient', y0, Real) + self._coeffs['y0'] = y0 + + @z0.setter + def z0(self, z0): + check_type('z0 coefficient', z0, Real) + self._coeffs['z0'] = z0 + + +class YCylinder(Cylinder): + """An infinite cylinder whose length is parallel to the y-axis. This is a + quadratic surface of the form :math:`(x - x_0)^2 + (z - z_0)^2 = R^2`. + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + x0 : float + x-coordinate of the center of the cylinder + z0 : float + z-coordinate of the center of the cylinder + R : float + Radius of the cylinder + name : str + Name of the cylinder. If not specified, the name will be the empty + string. + + Attributes + ---------- + x0 : float + x-coordinate of the center of the cylinder + z0 : float + z-coordinate of the center of the cylinder + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', + x0=None, z0=None, R=None, name=''): + # Initialize YCylinder class attributes + super(YCylinder, self).__init__(surface_id, boundary_type, R, name=name) + + self._type = 'y-cylinder' + self._coeff_keys = ['x0', 'z0', 'R'] + + if x0 is not None: + self.x0 = x0 + + if z0 is not None: + self.z0 = z0 + + @property + def x0(self): + return self.coeffs['x0'] + + @property + def z0(self): + return self.coeffs['z0'] + + @x0.setter + def x0(self, x0): + check_type('x0 coefficient', x0, Real) + self._coeffs['x0'] = x0 + + @z0.setter + def z0(self, z0): + check_type('z0 coefficient', z0, Real) + self._coeffs['z0'] = z0 + + +class ZCylinder(Cylinder): + """An infinite cylinder whose length is parallel to the z-axis. This is a + quadratic surface of the form :math:`(x - x_0)^2 + (y - y_0)^2 = R^2`. + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + x0 : float + x-coordinate of the center of the cylinder + y0 : float + y-coordinate of the center of the cylinder + R : float + Radius of the cylinder + name : str + Name of the cylinder. If not specified, the name will be the empty + string. + + Attributes + ---------- + x0 : float + x-coordinate of the center of the cylinder + y0 : float + y-coordinate of the center of the cylinder + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', + x0=None, y0=None, R=None, name=''): + # Initialize ZCylinder class attributes + super(ZCylinder, self).__init__(surface_id, boundary_type, R, name=name) + + self._type = 'z-cylinder' + self._coeff_keys = ['x0', 'y0', 'R'] + + if x0 is not None: + self.x0 = x0 + + if y0 is not None: + self.y0 = y0 + + @property + def x0(self): + return self.coeffs['x0'] + + @property + def y0(self): + return self.coeffs['y0'] + + @x0.setter + def x0(self, x0): + check_type('x0 coefficient', x0, Real) + self._coeffs['x0'] = x0 + + @y0.setter + def y0(self, y0): + check_type('y0 coefficient', y0, Real) + self._coeffs['y0'] = y0 + + +class Sphere(Surface): + """A sphere of the form :math:`(x - x_0)^2 + (y - y_0)^2 + (z - z_0)^2 = R^2`. + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + x0 : float + x-coordinate of the center of the sphere + y0 : float + y-coordinate of the center of the sphere + z0 : float + z-coordinate of the center of the sphere + R : float + Radius of the sphere + name : str + Name of the sphere. If not specified, the name will be the empty string. + + Attributes + ---------- + x0 : float + x-coordinate of the center of the sphere + y0 : float + y-coordinate of the center of the sphere + z0 : float + z-coordinate of the center of the sphere + R : float + Radius of the sphere + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', + x0=None, y0=None, z0=None, R=None, name=''): + # Initialize Sphere class attributes + super(Sphere, self).__init__(surface_id, boundary_type, name=name) + + self._type = 'sphere' + self._coeff_keys = ['x0', 'y0', 'z0', 'R'] + + if x0 is not None: + self.x0 = x0 + + if y0 is not None: + self.y0 = y0 + + if z0 is not None: + self.z0 = z0 + + if R is not None: + self.r = R + + @property + def x0(self): + return self.coeffs['x0'] + + @property + def y0(self): + return self.coeffs['y0'] + + @property + def z0(self): + return self.coeffs['z0'] + + @property + def r(self): + return self.coeffs['R'] + + @x0.setter + def x0(self, x0): + check_type('x0 coefficient', x0, Real) + self._coeffs['x0'] = x0 + + @y0.setter + def y0(self, y0): + check_type('y0 coefficient', y0, Real) + self._coeffs['y0'] = y0 + + @z0.setter + def z0(self, z0): + check_type('z0 coefficient', z0, Real) + self._coeffs['z0'] = z0 + + @r.setter + def r(self, R): + check_type('R coefficient', R, Real) + self._coeffs['R'] = R + + +class Cone(Surface): + """A conical surface parallel to the x-, y-, or z-axis. + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + x0 : float + x-coordinate of the apex + y0 : float + y-coordinate of the apex + z0 : float + z-coordinate of the apex + R2 : float + Parameter related to the aperature + name : str + Name of the cone. If not specified, the name will be the empty string. + + Attributes + ---------- + x0 : float + x-coordinate of the apex + y0 : float + y-coordinate of the apex + z0 : float + z-coordinate of the apex + R2 : float + Parameter related to the aperature + + """ + + __metaclass__ = ABCMeta + + def __init__(self, surface_id=None, boundary_type='transmission', + x0=None, y0=None, z0=None, R2=None, name=''): + # Initialize Cone class attributes + super(Cone, self).__init__(surface_id, boundary_type, name=name) + + self._coeff_keys = ['x0', 'y0', 'z0', 'R2'] + + if x0 is not None: + self.x0 = x0 + + if y0 is not None: + self.y0 = y0 + + if z0 is not None: + self.z0 = z0 + + if R2 is not None: + self.r2 = R2 + + @property + def x0(self): + return self.coeffs['x0'] + + @property + def y0(self): + return self.coeffs['y0'] + + @property + def z0(self): + return self.coeffs['z0'] + + @property + def r2(self): + return self.coeffs['r2'] + + @x0.setter + def x0(self, x0): + check_type('x0 coefficient', x0, Real) + self._coeffs['x0'] = x0 + + @y0.setter + def y0(self, y0): + check_type('y0 coefficient', y0, Real) + self._coeffs['y0'] = y0 + + @z0.setter + def z0(self, z0): + check_type('z0 coefficient', z0, Real) + self._coeffs['z0'] = z0 + + @r2.setter + def r2(self, R2): + check_type('R^2 coefficient', R2, Real) + self._coeffs['R2'] = R2 + + +class XCone(Cone): + """A cone parallel to the x-axis of the form :math:`(y - y_0)^2 + (z - z_0)^2 = + R^2 (x - x_0)^2`. + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + x0 : float + x-coordinate of the apex + y0 : float + y-coordinate of the apex + z0 : float + z-coordinate of the apex + R2 : float + Parameter related to the aperature + name : str + Name of the cone. If not specified, the name will be the empty string. + + Attributes + ---------- + x0 : float + x-coordinate of the apex + y0 : float + y-coordinate of the apex + z0 : float + z-coordinate of the apex + R2 : float + Parameter related to the aperature + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', + x0=None, y0=None, z0=None, R2=None, name=''): + # Initialize XCone class attributes + super(XCone, self).__init__(surface_id, boundary_type, x0, y0, + z0, R2, name=name) + + self._type = 'x-cone' + + +class YCone(Cone): + """A cone parallel to the y-axis of the form :math:`(x - x_0)^2 + (z - z_0)^2 = + R^2 (y - y_0)^2`. + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + x0 : float + x-coordinate of the apex + y0 : float + y-coordinate of the apex + z0 : float + z-coordinate of the apex + R2 : float + Parameter related to the aperature + name : str + Name of the cone. If not specified, the name will be the empty string. + + Attributes + ---------- + x0 : float + x-coordinate of the apex + y0 : float + y-coordinate of the apex + z0 : float + z-coordinate of the apex + R2 : float + Parameter related to the aperature + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', + x0=None, y0=None, z0=None, R2=None, name=''): + # Initialize YCone class attributes + super(YCone, self).__init__(surface_id, boundary_type, x0, y0, z0, + R2, name=name) + + self._type = 'y-cone' + + +class ZCone(Cone): + """A cone parallel to the x-axis of the form :math:`(x - x_0)^2 + (y - y_0)^2 = + R^2 (z - z_0)^2`. + + Parameters + ---------- + surface_id : int + Unique identifier for the surface. If not specified, an identifier will + automatically be assigned. + boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} + Boundary condition that defines the behavior for particles hitting the + surface. Defaults to transmissive boundary condition where particles + freely pass through the surface. + x0 : float + x-coordinate of the apex + y0 : float + y-coordinate of the apex + z0 : float + z-coordinate of the apex + R2 : float + Parameter related to the aperature + name : str + Name of the cone. If not specified, the name will be the empty string. + + Attributes + ---------- + x0 : float + x-coordinate of the apex + y0 : float + y-coordinate of the apex + z0 : float + z-coordinate of the apex + R2 : float + Parameter related to the aperature + + """ + + def __init__(self, surface_id=None, boundary_type='transmission', + x0=None, y0=None, z0=None, R2=None, name=''): + # Initialize ZCone class attributes + super(ZCone, self).__init__(surface_id, boundary_type, x0, y0, z0, + R2, name=name) + + self._type = 'z-cone' diff --git a/openmc/tallies.py b/openmc/tallies.py new file mode 100644 index 0000000000..6e418a2be4 --- /dev/null +++ b/openmc/tallies.py @@ -0,0 +1,2345 @@ +from collections import Iterable +import copy +import os +import pickle +import itertools +from numbers import Integral, Real +from xml.etree import ElementTree as ET +import sys + +import numpy as np + +from openmc import Mesh, Filter, Trigger, Nuclide +from openmc.cross import CrossScore, CrossNuclide, CrossFilter +from openmc.summary import Summary +from openmc.checkvalue import check_type, check_value, check_greater_than +from openmc.clean_xml import * + + +if sys.version_info[0] >= 3: + basestring = str + +# "Static" variable for auto-generated Tally IDs +AUTO_TALLY_ID = 10000 + + +def reset_auto_tally_id(): + global AUTO_TALLY_ID + AUTO_TALLY_ID = 10000 + + +class Tally(object): + """A tally defined by a set of scores that are accumulated for a list of + nuclides given a set of filters. + + Parameters + ---------- + tally_id : int, optional + Unique identifier for the tally. If none is specified, an identifier + will automatically be assigned + name : str, optional + Name of the tally. If not specified, the name is the empty string. + + Attributes + ---------- + id : int + Unique identifier for the tally + name : str + Name of the tally + filters : list of openmc.filter.Filter + List of specified filters for the tally + nuclides : list of openmc.nuclide.Nuclide + List of nuclides to score results for + scores : list of str + List of defined scores, e.g. 'flux', 'fission', etc. + estimator : {'analog', 'tracklength'} + Type of estimator for the tally + triggers : list of openmc.trigger.Trigger + List of tally triggers + num_score_bins : int + Total number of scores, accounting for the fact that a single + user-specified score, e.g. scatter-P3 or flux-Y2,2, might have multiple + bins + num_scores : int + Total number of user-specified scores + num_filter_bins : int + Total number of filter bins accounting for all filters + num_bins : int + Total number of bins for the tally + num_realizations : int + Total number of realizations + with_summary : bool + Whether or not a Summary has been linked + sum : ndarray + An array containing the sum of each independent realization for each bin + sum_sq : ndarray + An array containing the sum of each independent realization squared for + each bin + mean : ndarray + An array containing the sample mean for each bin + std_dev : ndarray + An array containing the sample standard deviation for each bin + + """ + + def __init__(self, tally_id=None, name=''): + # Initialize Tally class attributes + self.id = tally_id + self.name = name + self._filters = [] + self._nuclides = [] + self._scores = [] + self._estimator = None + self._triggers = [] + + self._num_score_bins = 0 + self._num_realizations = 0 + self._with_summary = False + + self._sum = None + self._sum_sq = None + self._mean = None + self._std_dev = None + self._with_batch_statistics = False + self._derived = False + + def __deepcopy__(self, memo): + existing = memo.get(id(self)) + + # If this is the first time we have tried to copy this object, create a copy + if existing is None: + clone = type(self).__new__(type(self)) + clone.id = self.id + clone.name = self.name + clone.estimator = self.estimator + clone.num_score_bins = self.num_score_bins + clone.num_realizations = self.num_realizations + clone._sum = copy.deepcopy(self.sum, memo) + clone._sum_sq = copy.deepcopy(self.sum_sq, memo) + clone._mean = copy.deepcopy(self.mean, memo) + clone._std_dev = copy.deepcopy(self.std_dev, memo) + clone._with_summary = self.with_summary + clone._with_batch_statistics = self.with_batch_statistics + clone._derived = self.derived + + clone._filters = [] + for filter in self.filters: + clone.add_filter(copy.deepcopy(filter, memo)) + + clone._nuclides = [] + for nuclide in self.nuclides: + clone.add_nuclide(copy.deepcopy(nuclide, memo)) + + clone._scores = [] + for score in self.scores: + clone.add_score(score) + + clone._triggers = [] + for trigger in self.triggers: + clone.add_trigger(trigger) + + memo[id(self)] = clone + + return clone + + # If this object has been copied before, return the first copy made + else: + return existing + + def __eq__(self, tally2): + # Check all filters + if len(self.filters) != len(tally2.filters): + return False + + for filter in self.filters: + if filter not in tally2.filters: + return False + + # Check all nuclides + if len(self.nuclides) != len(tally2.nuclides): + return False + + for nuclide in self.nuclides: + if nuclide not in tally2.nuclides: + return False + + # Check all scores + if len(self.scores) != len(tally2.scores): + return False + + for score in self.scores: + if score not in tally2.scores: + return False + + if self.estimator != tally2.estimator: + return False + + return True + + def __hash__(self): + hashable = [] + + for filter in self.filters: + hashable.append((filter.type, tuple(filter.bins))) + + for nuclide in self.nuclides: + hashable.append(nuclide.name) + + for score in self.scores: + hashable.append(score) + + hashable.append(self.estimator) + hashable.append(self.name) + + return hash(tuple(hashable)) + + @property + def id(self): + return self._id + + @property + def name(self): + return self._name + + @property + def filters(self): + return self._filters + + @property + def nuclides(self): + return self._nuclides + + @property + def num_nuclides(self): + return len(self._nuclides) + + @property + def scores(self): + return self._scores + + @property + def num_scores(self): + return len(self._scores) + + @property + def num_score_bins(self): + return self._num_score_bins + + @property + def num_filter_bins(self): + num_bins = 1 + + for filter in self._filters: + num_bins *= filter.num_bins + + return num_bins + + @property + def num_bins(self): + num_bins = self.num_filter_bins + num_bins *= self.num_nuclides + num_bins *= self.num_score_bins + return num_bins + + @property + def estimator(self): + return self._estimator + + @property + def triggers(self): + return self._triggers + + @property + def num_realizations(self): + return self._num_realizations + + @property + def with_summary(self): + return self._with_summary + + @property + def sum(self): + return self._sum + + @property + def sum_sq(self): + return self._sum_sq + + @property + def mean(self): + # Compute the mean if needed + if self._mean is None: + self.compute_mean() + return self._mean + + @property + def std_dev(self): + # Compute the standard deviation if needed + if self._std_dev is None: + self.compute_std_dev() + return self._std_dev + + @property + def with_batch_statistics(self): + return self._with_batch_statistics + + @property + def derived(self): + return self._derived + + @estimator.setter + def estimator(self, estimator): + check_value('estimator', estimator, ['analog', 'tracklength']) + self._estimator = estimator + + def add_trigger(self, trigger): + """Add a tally trigger to the tally + + Parameters + ---------- + trigger : openmc.trigger.Trigger + Trigger to add + + """ + + if not isinstance(trigger, Trigger): + msg = 'Unable to add a tally trigger for Tally ID="{0}" to ' \ + 'since "{1}" is not a Trigger'.format(self.id, trigger) + raise ValueError(msg) + + self._triggers.append(trigger) + + @id.setter + def id(self, tally_id): + if tally_id is None: + global AUTO_TALLY_ID + self._id = AUTO_TALLY_ID + AUTO_TALLY_ID += 1 + else: + check_type('tally ID', tally_id, Integral) + check_greater_than('tally ID', tally_id, 0) + self._id = tally_id + + @name.setter + def name(self, name): + check_type('tally name', name, basestring) + self._name = name + + def add_filter(self, filter): + """Add a filter to the tally + + Parameters + ---------- + filter : openmc.filter.Filter + Filter to add + + """ + + if not isinstance(filter, (Filter, CrossFilter)): + msg = 'Unable to add Filter "{0}" to Tally ID="{1}" since it is ' \ + 'not a Filter object'.format(filter, self.id) + raise ValueError(msg) + + self._filters.append(filter) + + def add_nuclide(self, nuclide): + """Specify that scores for a particular nuclide should be accumulated + + Parameters + ---------- + nuclide : openmc.nuclide.Nuclide + Nuclide to add + + """ + + self._nuclides.append(nuclide) + + def add_score(self, score): + """Specify a quantity to be scored + + Parameters + ---------- + score : str + Score to be accumulated, e.g. 'flux' + + """ + + if not isinstance(score, (basestring, CrossScore)): + msg = 'Unable to add score "{0}" to Tally ID="{1}" since it is ' \ + 'not a string'.format(score, self.id) + raise ValueError(msg) + + # If the score is already in the Tally, don't add it again + if score in self.scores: + return + else: + self._scores.append(score) + + @num_score_bins.setter + def num_score_bins(self, num_score_bins): + self._num_score_bins = num_score_bins + + @num_realizations.setter + def num_realizations(self, num_realizations): + check_type('number of realizations', num_realizations, Integral) + check_greater_than('number of realizations', num_realizations, 0, True) + self._num_realizations = num_realizations + + @with_summary.setter + def with_summary(self, with_summary): + check_type('with_summary', with_summary, bool) + self._with_summary = with_summary + + @with_batch_statistics.setter + def with_batch_statistics(self, with_batch_statistics): + check_type('with_batch_statistics', with_batch_statistics, bool) + self._with_batch_statistics = with_batch_statistics + + @sum.setter + def sum(self, sum): + check_type('sum', sum, Iterable) + self._sum = sum + + @sum_sq.setter + def sum_sq(self, sum_sq): + check_type('sum_sq', sum_sq, Iterable) + self._sum_sq = sum_sq + + def remove_score(self, score): + """Remove a score from the tally + + Parameters + ---------- + score : str + Score to remove + + """ + + if score not in self.scores: + msg = 'Unable to remove score "{0}" from Tally ID="{1}" since ' \ + 'the Tally does not contain this score'.format(score, self.id) + ValueError(msg) + + self._scores.remove(score) + + def remove_filter(self, filter): + """Remove a filter from the tally + + Parameters + ---------- + filter : openmc.filter.Filter + Filter to remove + + """ + + if filter not in self.filters: + msg = 'Unable to remove filter "{0}" from Tally ID="{1}" since the ' \ + 'Tally does not contain this filter'.format(filter, self.id) + ValueError(msg) + + self._filters.remove(filter) + + def remove_nuclide(self, nuclide): + """Remove a nuclide from the tally + + Parameters + ---------- + nuclide : openmc.nuclide.Nuclide + Nuclide to remove + + """ + + if nuclide not in self.nuclides: + msg = 'Unable to remove nuclide "{0}" from Tally ID="{1}" since the ' \ + 'Tally does not contain this nuclide'.format(nuclide, self.id) + ValueError(msg) + + self._nuclides.remove(nuclide) + + def compute_mean(self): + """Compute the sample mean for each bin in the tally""" + + # Calculate sample mean + self._mean = self.sum / self.num_realizations + + def compute_std_dev(self, t_value=1.0): + """Compute the sample standard deviation for each bin in the tally + + Parameters + ---------- + t_value : float, optional + Student's t-value applied to the uncertainty. Defaults to 1.0, + meaning the reported value is the sample standard deviation. + + """ + + # Calculate sample standard deviation + self.compute_mean() + self._std_dev = np.sqrt((self.sum_sq / self.num_realizations - + self.mean**2) / (self.num_realizations - 1)) + self._std_dev *= t_value + self.with_batch_statistics = True + + def __repr__(self): + string = 'Tally\n' + string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self.id) + string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self.name) + + string += '{0: <16}{1}\n'.format('\tFilters', '=\t') + + for filter in self.filters: + string += '{0: <16}\t\t{1}\t{2}\n'.format('', filter.type, + filter.bins) + + string += '{0: <16}{1}'.format('\tNuclides', '=\t') + + for nuclide in self.nuclides: + if isinstance(nuclide, Nuclide): + string += '{0} '.format(nuclide.name) + else: + string += '{0} '.format(nuclide) + + string += '\n' + + string += '{0: <16}{1}{2}\n'.format('\tScores', '=\t', self.scores) + string += '{0: <16}{1}{2}\n'.format('\tEstimator', '=\t', self.estimator) + + return string + + def can_merge(self, tally): + """Determine if another tally can be merged with this one + + Parameters + ---------- + tally : Tally + Tally to check for merging + + """ + + if not isinstance(tally, Tally): + return False + + # Must have same estimator + if self.estimator != tally.estimator: + return False + + # Must have same nuclides + if len(self.nuclides) != len(tally.nuclides): + return False + + for nuclide in self.nuclides: + if nuclide not in tally.nuclides: + return False + + # Must have same or mergeable filters + if len(self.filters) != len(tally.filters): + return False + + # Look to see if all filters are the same, or one or more can be merged + for filter1 in self.filters: + mergeable_filter = False + + for filter2 in tally.filters: + if filter1 == filter2 or filter1.can_merge(filter2): + mergeable_filter = True + break + + # If no mergeable filter was found, the tallies are not mergeable + if not mergeable_filter: + return False + + # Tallies are mergeable if all conditional checks passed + return True + + def merge(self, tally): + """Merge another tally with this one + + Parameters + ---------- + tally : Tally + Tally to merge with this one + + Returns + ------- + merged_tally : Tally + Merged tallies + + """ + + if not self.can_merge(tally): + msg = 'Unable to merge tally ID="{0}" with "{1}"'.format(tally.id, self.id) + raise ValueError(msg) + + # Create deep copy of tally to return as merged tally + merged_tally = copy.deepcopy(self) + + # Differentiate Tally with a new auto-generated Tally ID + merged_tally.id = None + + # Merge filters + for i, filter1 in enumerate(merged_tally.filters): + for filter2 in tally.filters: + if filter1 != filter2 and filter1.can_merge(filter2): + merged_filter = filter1.merge(filter2) + merged_tally.filters[i] = merged_filter + break + + # Add scores from second tally to merged tally + for score in tally.scores: + merged_tally.add_score(score) + + # Add triggers from second tally to merged tally + for trigger in tally.triggers: + merged_tally.add_trigger(trigger) + + return merged_tally + + def get_tally_xml(self): + """Return XML representation of the tally + + Returns + ------- + element : xml.etree.ElementTree.Element + XML element containing tally data + + """ + + element = ET.Element("tally") + + # Tally ID + element.set("id", str(self.id)) + + # Optional Tally name + if self.name != '': + element.set("name", self.name) + + # Optional Tally filters + for filter in self.filters: + subelement = ET.SubElement(element, "filter") + subelement.set("type", str(filter.type)) + + if filter.bins is not None: + bins = '' + for bin in filter.bins: + bins += '{0} '.format(bin) + + subelement.set("bins", bins.rstrip(' ')) + + # Optional Nuclides + if len(self.nuclides) > 0: + nuclides = '' + for nuclide in self.nuclides: + if isinstance(nuclide, Nuclide): + nuclides += '{0} '.format(nuclide.name) + else: + nuclides += '{0} '.format(nuclide) + + subelement = ET.SubElement(element, "nuclides") + subelement.text = nuclides.rstrip(' ') + + # Scores + if len(self.scores) == 0: + msg = 'Unable to get XML for Tally ID="{0}" since it does not ' \ + 'contain any scores'.format(self.id) + raise ValueError(msg) + + else: + scores = '' + for score in self.scores: + scores += '{0} '.format(score) + + subelement = ET.SubElement(element, "scores") + subelement.text = scores.rstrip(' ') + + # Tally estimator type + if self.estimator is not None: + subelement = ET.SubElement(element, "estimator") + subelement.text = self.estimator + + # Optional Triggers + for trigger in self.triggers: + trigger.get_trigger_xml(element) + + return element + + def find_filter(self, filter_type): + """Return a filter in the tally that matches a specified type + + Parameters + ---------- + filter_type : str + Type of the filter, e.g. 'mesh' + + Returns + ------- + filter : openmc.filter.Filter + Filter from this tally with matching type, or None if no matching + Filter is found + + Raises + ------ + ValueError + If no matching Filter is found + + """ + + filter = None + + # Look through all of this Tally's Filters for the type requested + for test_filter in self.filters: + if test_filter.type == filter_type: + filter = test_filter + break + + # If we did not find the Filter, throw an Exception + if filter is None: + msg = 'Unable to find filter type "{0}" in ' \ + 'Tally ID="{1}"'.format(filter_type, self.id) + raise ValueError(msg) + + return filter + + def get_filter_index(self, filter_type, filter_bin): + """Returns the index in the Tally's results array for a Filter bin + + Parameters + ---------- + filter_type : str + The type of Filter (e.g., 'cell', 'energy', etc.) + + filter_bin : int, list + The bin is an integer ID for 'material', 'surface', 'cell', + 'cellborn', and 'universe' Filters. The bin is an integer for the + cell instance ID for 'distribcell' Filters. The bin is a 2-tuple of + floats for 'energy' and 'energyout' filters corresponding to the + energy boundaries of the bin of interest. The bin is a (x,y,z) + 3-tuple for 'mesh' filters corresponding to the mesh cell of + interest. + + Returns + ------- + The index in the Tally data array for this filter bin + + """ + + # Find the equivalent Filter in this Tally's list of Filters + filter = self.find_filter(filter_type) + + # Get the index for the requested bin from the Filter and return it + filter_index = filter.get_bin_index(filter_bin) + return filter_index + + def get_nuclide_index(self, nuclide): + """Returns the index in the Tally's results array for a Nuclide bin + + Parameters + ---------- + nuclide : str + The name of the Nuclide (e.g., 'H-1', 'U-238') + + Returns + ------- + nuclide_index : int + The index in the Tally data array for this nuclide. + + Raises + ------ + KeyError + When the argument passed to the 'nuclide' parameter cannot be found + in the Tally. + + """ + + nuclide_index = -1 + + # Look for the user-requested nuclide in all of the Tally's Nuclides + for i, test_nuclide in enumerate(self.nuclides): + + # If the Summary was linked, then values are Nuclide objects + if isinstance(test_nuclide, Nuclide): + if test_nuclide._name == nuclide: + nuclide_index = i + break + + # If the Summary has not been linked, then values are ZAIDs + else: + if test_nuclide == nuclide: + nuclide_index = i + break + + if nuclide_index == -1: + msg = 'Unable to get the nuclide index for Tally since "{0}" ' \ + 'is not one of the nuclides'.format(nuclide) + raise KeyError(msg) + else: + return nuclide_index + + def get_score_index(self, score): + """Returns the index in the Tally's results array for a score bin + + Parameters + ---------- + score : str + The score string (e.g., 'absorption', 'nu-fission') + + Returns + ------- + score_index : int + The index in the Tally data array for this score. + + Raises + ------ + ValueError + When the argument passed to the 'score' parameter cannot be found in + the Tally. + + """ + + try: + score_index = self.scores.index(score) + + except ValueError: + msg = 'Unable to get the score index for Tally since "{0}" ' \ + 'is not one of the scores'.format(score) + raise ValueError(msg) + + return score_index + + def get_values(self, scores=[], filters=[], filter_bins=[], + nuclides=[], value='mean'): + """Returns a tally score value given a list of filters to satisfy. + + This method constructs a 3D NumPy array for the requested Tally data + indexed by filter bin, nuclide bin, and score index. The method will + order the data in the array as specified in the parameter lists + + Parameters + ---------- + scores : list + A list of one or more score strings + (e.g., ['absorption', 'nu-fission']; default is []) + + filters : list + A list of filter type strings + (e.g., ['mesh', 'energy']; default is []) + + filter_bins : list + A list of the filter bins corresponding to the filter_types + parameter (e.g., [1, (0., 0.625e-6)]; default is []). Each bin in + the list is the integer ID for 'material', 'surface', 'cell', + 'cellborn', and 'universe' Filters. Each bin is an integer for the + cell instance ID for 'distribcell Filters. Each bin is a 2-tuple of + floats for 'energy' and 'energyout' filters corresponding to the + energy boundaries of the bin of interest. The bin is a (x,y,z) + 3-tuple for 'mesh' filters corresponding to the mesh cell of + interest. The order of the bins in the list must correspond of the + filter_types parameter. + + nuclides : list + A list of nuclide name strings + (e.g., ['U-235', 'U-238']; default is []) + + value : str + A string for the type of value to return - 'mean' (default), + 'std_dev', 'rel_err', 'sum', or 'sum_sq' are accepted + + Returns + ------- + float or ndarray + A scalar or NumPy array of the Tally data indexed in the order + each filter, nuclide and score is listed in the parameters. + + Raises + ------ + ValueError + When this method is called before the Tally is populated with data + by the StatePoint.read_results() method. ValueError is also thrown + if the input parameters do not correspond to the Tally's attributes, + e.g., if the score(s) do not match those in the Tally. + + """ + + # Ensure that StatePoint.read_results() was called first + if (value == 'mean' and self.mean is None) or \ + (value == 'std_dev' and self.std_dev is None) or \ + (value == 'rel_err' and self.mean is None) or \ + (value == 'sum' and self.sum is None) or \ + (value == 'sum_sq' and self.sum_sq is None): + msg = 'The Tally ID="{0}" has no data to return. Call the ' \ + 'StatePoint.read_results() method before using ' \ + 'Tally.get_values(...)'.format(self.id) + raise ValueError(msg) + + ############################ FILTERS ######################### + # Determine the score indices from any of the requested scores + if filters: + # Initialize empty list of indices for each bin in each Filter + filter_indices = [] + + # Loop over all of the Tally's Filters + for i, filter in enumerate(self.filters): + user_filter = False + + # If a user-requested Filter, get the user-requested bins + for j, test_filter in enumerate(filters): + if filter.type == test_filter: + bins = filter_bins[j] + user_filter = True + break + + # If not a user-requested Filter, get all bins + if not user_filter: + # Create list of 2- or 3-tuples tuples for mesh cell bins + if filter.type == 'mesh': + dimension = filter.mesh.dimension + xyz = map(lambda x: np.arange(1, x+1), dimension) + bins = list(itertools.product(*xyz)) + + # Create list of 2-tuples for energy boundary bins + elif filter.type in ['energy', 'energyout']: + bins = [] + for k in range(filter.num_bins): + bins.append((filter.bins[k], filter.bins[k+1])) + + # Create list of IDs for bins for all other Filter types + else: + bins = filter.bins + + # Initialize a NumPy array for the Filter bin indices + filter_indices.append(np.zeros(len(bins), dtype=np.int)) + + # Add indices for each bin in this Filter to the list + for j, bin in enumerate(bins): + filter_index = self.get_filter_index(filter.type, bin) + filter_indices[i][j] = filter_index + + # Account for stride in each of the previous filters + for indices in filter_indices[:i]: + indices *= filter.num_bins + + # Apply outer product sum between all filter bin indices + filter_indices = list(map(sum, itertools.product(*filter_indices))) + + # If user did not specify any specific Filters, use them all + else: + filter_indices = np.arange(self.num_filter_bins) + + ############################ NUCLIDES ######################## + # Determine the score indices from any of the requested scores + if nuclides: + nuclide_indices = np.zeros(len(nuclides), dtype=np.int) + for i, nuclide in enumerate(nuclides): + nuclide_indices[i] = self.get_nuclide_index(nuclide) + + # If user did not specify any specific Nuclides, use them all + else: + nuclide_indices = np.arange(self.num_nuclides) + + ############################# SCORES ######################### + # Determine the score indices from any of the requested scores + if scores: + score_indices = np.zeros(len(scores), dtype=np.int) + for i, score in enumerate(scores): + score_indices[i] = self.get_score_index(score) + + # If user did not specify any specific scores, use them all + else: + score_indices = np.arange(self.num_scores) + + # Construct outer product of all three index types with each other + indices = np.ix_(filter_indices, nuclide_indices, score_indices) + + # Return the desired result from Tally + if value == 'mean': + data = self.mean[indices] + elif value == 'std_dev': + data = self.std_dev[indices] + elif value == 'rel_err': + data = self.std_dev[indices] / self.mean[indices] + elif value == 'sum': + data = self.sum[indices] + elif value == 'sum_sq': + data = self.sum_sq[indices] + else: + msg = 'Unable to return results from Tally ID="{0}" since the ' \ + 'the requested value "{1}" is not \'mean\', \'std_dev\', ' \ + '\rel_err\', \'sum\', or \'sum_sq\''.format(self.id, value) + raise LookupError(msg) + + return data + + def get_pandas_dataframe(self, filters=True, nuclides=True, + scores=True, summary=None): + """Build a Pandas DataFrame for the Tally data. + + This method constructs a Pandas DataFrame object for the Tally data + with columns annotated by filter, nuclide and score bin information. + This capability has been tested for Pandas >=v0.13.1. However, if + possible, it is recommended to use the v0.16 or newer versions of + Pandas since this this method uses the Multi-index Pandas feature. + + Parameters + ---------- + filters : bool + Include columns with filter bin information (default is True). + + nuclides : bool + Include columns with nuclide bin information (default is True). + + scores : bool + Include columns with score bin information (default is True). + + summary : None or Summary + An optional Summary object to be used to construct columns for + distribcell tally filters (default is None). The geometric + information in the Summary object is embedded into a Multi-index + column with a geometric "path" to each distribcell intance. + NOTE: This option requires the OpenCG Python package. + + Returns + ------- + pandas.DataFrame + A Pandas DataFrame with each column annotated by filter, nuclide and + score bin information (if these parameters are True), and the mean + and standard deviation of the Tally's data. + + Raises + ------ + KeyError + When this method is called before the Tally is populated with data + by the StatePoint.read_results() method. + + """ + + # Ensure that StatePoint.read_results() was called first + if self.mean is None or self.std_dev is None: + msg = 'The Tally ID="{0}" has no data to return. Call the ' \ + 'StatePoint.read_results() method before using ' \ + 'Tally.get_pandas_dataframe(...)'.format(self.id) + raise KeyError(msg) + + # If using Summary, ensure StatePoint.link_with_summary(...) was called + if summary and not self.with_summary: + msg = 'The Tally ID="{0}" has not been linked with the Summary. ' \ + 'Call the StatePoint.link_with_summary(...) method ' \ + 'before using Tally.get_pandas_dataframe(...) with ' \ + 'Summary info'.format(self.id) + raise KeyError(msg) + + # Attempt to import the pandas package + try: + import pandas as pd + except ImportError: + msg = 'The pandas Python package must be installed on your system' + raise ImportError(msg) + + # Initialize a pandas dataframe for the tally data + df = pd.DataFrame() + + # Find the total length of the tally data array + data_size = self.mean.size + + # Split CrossFilters into separate filters + split_filters = [] + for filter in self.filters: + if isinstance(filter, CrossFilter): + split_filters.extend(filter.split_filters()) + else: + split_filters.append(filter) + + # Build DataFrame columns for filters if user requested them + if filters: + + for filter in split_filters: + + # mesh filters + if filter.type == 'mesh': + + # Initialize dictionary to build Pandas Multi-index column + filter_dict = {} + + # Append Mesh ID as outermost index of mult-index + mesh_id = filter.mesh.id + mesh_key = 'mesh {0}'.format(mesh_id) + + # Find mesh dimensions - use 3D indices for simplicity + if (len(filter.mesh.dimension) == 3): + nx, ny, nz = filter.mesh.dimension + else: + nx, ny = filter.mesh.dimension + nz = 1 + + # Generate multi-index sub-column for x-axis + filter_bins = np.arange(1, nx+1) + repeat_factor = ny * nz * filter.stride + filter_bins = np.repeat(filter_bins, repeat_factor) + tile_factor = data_size / len(filter_bins) + filter_bins = np.tile(filter_bins, tile_factor) + filter_dict[(mesh_key, 'x')] = filter_bins + + # Generate multi-index sub-column for y-axis + filter_bins = np.arange(1, ny+1) + repeat_factor = nz * filter.stride + filter_bins = np.repeat(filter_bins, repeat_factor) + tile_factor = data_size / len(filter_bins) + filter_bins = np.tile(filter_bins, tile_factor) + filter_dict[(mesh_key, 'y')] = filter_bins + + # Generate multi-index sub-column for z-axis + filter_bins = np.arange(1, nz+1) + repeat_factor = filter.stride + filter_bins = np.repeat(filter_bins, repeat_factor) + tile_factor = data_size / len(filter_bins) + filter_bins = np.tile(filter_bins, tile_factor) + filter_dict[(mesh_key, 'z')] = filter_bins + + # Append the multi-index column to the DataFrame + df = pd.concat([df, pd.DataFrame(filter_dict)], axis=1) + + # distribcell filters + elif filter.type == 'distribcell': + if isinstance(summary, Summary): + # Attempt to import the OpenCG package + try: + import opencg + except ImportError: + msg = 'The OpenCG package must be installed ' \ + 'to use a Summary for distribcell dataframes' + raise ImportError(msg) + + # Create and extract the OpenCG geometry the Summary + summary.make_opencg_geometry() + opencg_geometry = summary.opencg_geometry + openmc_geometry = summary.openmc_geometry + + # Use OpenCG to compute the number of regions + opencg_geometry.initializeCellOffsets() + num_regions = opencg_geometry._num_regions + + # Initialize a dictionary mapping OpenMC distribcell + # offsets to OpenCG LocalCoords linked lists + offsets_to_coords = {} + + # Use OpenCG to compute LocalCoords linked list for + # each region and store in dictionary + for region in range(num_regions): + coords = opencg_geometry.findRegion(region) + path = opencg.get_path(coords) + cell_id = path[-1] + + # If this region is in Cell corresponding to the + # distribcell filter bin, store it in dictionary + if cell_id == filter.bins[0]: + offset = openmc_geometry.get_offset(path, + filter.offset) + offsets_to_coords[offset] = coords + + # Each distribcell offset is a DataFrame bin + # Unravel the paths into DataFrame columns + num_offsets = len(offsets_to_coords) + + # Initialize termination condition for while loop + levels_remain = True + counter = 0 + + # Iterate over each level in the CSG tree hierarchy + while levels_remain: + levels_remain = False + + # Initialize dictionary to build Pandas Multi-index + # column for this level in the CSG tree hierarchy + level_dict = {} + + # Initialize prefix Multi-index keys + counter += 1 + level_key = 'level {0}'.format(counter) + univ_key = (level_key, 'univ', 'id') + cell_key = (level_key, 'cell', 'id') + lat_id_key = (level_key, 'lat', 'id') + lat_x_key = (level_key, 'lat', 'x') + lat_y_key = (level_key, 'lat', 'y') + lat_z_key = (level_key, 'lat', 'z') + + # Allocate NumPy arrays for each CSG level and + # each Multi-index column in the DataFrame + level_dict[univ_key] = np.empty(num_offsets) + level_dict[cell_key] = np.empty(num_offsets) + level_dict[lat_id_key] = np.empty(num_offsets) + level_dict[lat_x_key] = np.empty(num_offsets) + level_dict[lat_y_key] = np.empty(num_offsets) + level_dict[lat_z_key] = np.empty(num_offsets) + + # Initialize Multi-index columns to NaN - this is + # necessary since some distribcell instances may + # have very different LocalCoords linked lists + level_dict[univ_key][:] = np.nan + level_dict[cell_key][:] = np.nan + level_dict[lat_id_key][:] = np.nan + level_dict[lat_x_key][:] = np.nan + level_dict[lat_y_key][:] = np.nan + level_dict[lat_z_key][:] = np.nan + + # Iterate over all regions (distribcell instances) + for offset in range(num_offsets): + coords = offsets_to_coords[offset] + + # If entire LocalCoords has been unraveled into + # Multi-index columns already, continue + if coords is None: + continue + + # Assign entry to Universe Multi-index column + if coords._type == 'universe': + univ_id = coords._universe._id + cell_id = coords._cell._id + level_dict[univ_key][offset] = univ_id + level_dict[cell_key][offset] = cell_id + + # Assign entry to Lattice Multi-index column + else: + lat_id = coords._lattice._id + lat_x = coords._lat_x + lat_y = coords._lat_y + lat_z = coords._lat_z + level_dict[lat_id_key][offset] = lat_id + level_dict[lat_x_key][offset] = lat_x + level_dict[lat_y_key][offset] = lat_y + level_dict[lat_z_key][offset] = lat_z + + # Move to next node in LocalCoords linked list + if coords._next is None: + offsets_to_coords[offset] = None + else: + offsets_to_coords[offset] = coords._next + levels_remain = True + + # Tile the Multi-index columns + for level_key, level_bins in level_dict.items(): + level_bins = \ + np.repeat(level_bins, filter.stride) + tile_factor = data_size / len(level_bins) + level_bins = np.tile(level_bins, tile_factor) + level_dict[level_key] = level_bins + + # Append the multi-index column to the DataFrame + df = pd.concat([df, pd.DataFrame(level_dict)], + axis=1) + + # Create DataFrame column for distribcell instances IDs + # NOTE: This is performed regardless of whether the user + # requests Summary geomeric information + filter_bins = np.arange(filter.num_bins) + filter_bins = np.repeat(filter_bins, filter.stride) + tile_factor = data_size / len(filter_bins) + filter_bins = np.tile(filter_bins, tile_factor) + df[filter.type] = filter_bins + + # energy, energyout filters + elif 'energy' in filter.type: + bins = filter.bins + num_bins = filter.num_bins + + # Create strings for + template = '{0:.1e} - {1:.1e}' + filter_bins = [] + for i in range(num_bins): + filter_bins.append(template.format(bins[i], bins[i+1])) + + # Tile the energy bins into a DataFrame column + filter_bins = np.repeat(filter_bins, filter.stride) + tile_factor = data_size / len(filter_bins) + filter_bins = np.tile(filter_bins, tile_factor) + df[filter.type + ' [MeV]'] = filter_bins + + # universe, material, surface, cell, and cellborn filters + else: + filter_bins = np.repeat(filter.bins, filter.stride) + tile_factor = data_size / len(filter_bins) + filter_bins = np.tile(filter_bins, tile_factor) + df[filter.type] = filter_bins + + # Include DataFrame column for nuclides if user requested it + if nuclides: + nuclides = [] + + for nuclide in self.nuclides: + # Write Nuclide name if Summary info was linked with StatePoint + if isinstance(nuclide, Nuclide): + nuclides.append(nuclide.name) + else: + nuclides.append(nuclide) + + # Tile the nuclide bins into a DataFrame column + nuclides = np.repeat(nuclides, len(self.scores)) + tile_factor = data_size / len(nuclides) + df['nuclide'] = np.tile(nuclides, tile_factor) + + # Include column for scores if user requested it + if scores: + tile_factor = data_size / len(self.scores) + df['score'] = np.tile(self.scores, tile_factor) + + # Append columns with mean, std. dev. for each tally bin + df['mean'] = self.mean.ravel() + df['std. dev.'] = self.std_dev.ravel() + + df.index.name = 'bin' + df = df.dropna(axis=1) + return df + + def export_results(self, filename='tally-results', directory='.', + format='hdf5', append=True): + """Exports tallly results to an HDF5 or Python pickle binary file. + + Parameters + ---------- + filename : str + The name of the file for the results (default is 'tally-results') + + directory : str + The name of the directory for the results (default is '.') + + format : str + The format for the exported file - HDF5 ('hdf5', default) and + Python pickle ('pkl') files are supported + + append : bool + Whether or not to append the results to the file (default is True) + + Raises + ------ + KeyError + When this method is called before the Tally is populated with data + by the StatePoint.read_results() method. + + """ + + # Ensure that StatePoint.read_results() was called first + if self._sum is None or self._sum_sq is None: + msg = 'The Tally ID="{0}" has no data to export. Call the ' \ + 'StatePoint.read_results() routine before using ' \ + 'Tally.export_results(...)'.format(self.id) + raise KeyError(msg) + + if not isinstance(filename, basestring): + msg = 'Unable to export the results for Tally ID="{0}" to ' \ + 'filename="{1}" since it is not a ' \ + 'string'.format(self.id, filename) + raise ValueError(msg) + + elif not isinstance(directory, basestring): + msg = 'Unable to export the results for Tally ID="{0}" to ' \ + 'directory="{1}" since it is not a ' \ + 'string'.format(self.id, directory) + raise ValueError(msg) + + elif format not in ['hdf5', 'pkl', 'csv']: + msg = 'Unable to export the results for Tally ID="{0}" to format ' \ + '"{1}" since it is not supported'.format(self.id, format) + raise ValueError(msg) + + elif not isinstance(append, bool): + msg = 'Unable to export the results for Tally ID="{0}" since the ' \ + 'append parameter is not True/False'.format(self.id, append) + raise ValueError(msg) + + # Make directory if it does not exist + if not os.path.exists(directory): + os.makedirs(directory) + + # HDF5 binary file + if format == 'hdf5': + import h5py + + filename = directory + '/' + filename + '.h5' + + if append: + tally_results = h5py.File(filename, 'a') + else: + tally_results = h5py.File(filename, 'w') + + # Create an HDF5 group within the file for this particular Tally + tally_group = tally_results.create_group('Tally-{0}'.format(self.id)) + + # Add basic Tally data to the HDF5 group + tally_group.create_dataset('id', data=self.id) + tally_group.create_dataset('name', data=self.name) + tally_group.create_dataset('estimator', data=self.estimator) + tally_group.create_dataset('scores', data=np.array(self.scores)) + + # Add a string array of the nuclides to the HDF5 group + nuclides = [] + + for nuclide in self.nuclides: + nuclides.append(nuclide.name) + + tally_group.create_dataset('nuclides', data=np.array(nuclides)) + + # Create an HDF5 sub-group for the Filters + filter_group = tally_group.create_group('filters') + + for filter in self.filters: + filter_group.create_dataset(filter.type, data=filter.bins) + + # Add all results to the main HDF5 group for the Tally + tally_group.create_dataset('sum', data=self.sum) + tally_group.create_dataset('sum_sq', data=self.sum_sq) + tally_group.create_dataset('mean', data=self.mean) + tally_group.create_dataset('std_dev', data=self.std_dev) + + # Close the Tally results HDF5 file + tally_results.close() + + # Python pickle binary file + elif format == 'pkl': + # Load the dictionary from the Pickle file + filename = directory + '/' + filename + '.pkl' + + if os.path.exists(filename) and append: + tally_results = pickle.load(file(filename, 'rb')) + else: + tally_results = {} + + # Create a nested dictionary within the file for this particular Tally + tally_results['Tally-{0}'.format(self.id)] = {} + tally_group = tally_results['Tally-{0}'.format(self.id)] + + # Add basic Tally data to the nested dictionary + tally_group['id'] = self.id + tally_group['name'] = self.name + tally_group['estimator'] = self.estimator + tally_group['scores'] = np.array(self.scores) + + # Add a string array of the nuclides to the HDF5 group + nuclides = [] + + for nuclide in self.nuclides: + nuclides.append(nuclide.name) + + tally_group['nuclides'] = np.array(nuclides) + + # Create a nested dictionary for the Filters + tally_group['filters'] = {} + filter_group = tally_group['filters'] + + for filter in self.filters: + filter_group[filter.type] = filter.bins + + # Add all results to the main sub-dictionary for the Tally + tally_group['sum'] = self.sum + tally_group['sum_sq'] = self.sum_sq + tally_group['mean'] = self.mean + tally_group['std_dev'] = self.std_dev + + # Pickle the Tally results to a file + pickle.dump(tally_results, open(filename, 'wb')) + + def _outer_product(self, other, binary_op): + """Combines filters, scores and nuclides with another tally. + + This is a helper method for the tally arithmetic methods. The filters, + scores and nuclides from both tallies are enumerated into all possible + combinations and expressed as CrossFilter, CrossScore and + CrossNuclide objects in the new derived tally. + + Parameters + ---------- + other : Tally + The tally on the right hand side of the outer product + binary_op : {'+', '-', '*', '/', '^'} + The binary operation in the outer product + + Returns + ------- + Tally + A new Tally outer that is the outer product with this one. + + Raises + ------ + ValueError + When this method is called before the other tally is populated + with data by the StatePoint.read_results() method. + + """ + + # Check that results have been read + if not other.derived and other.sum is None: + msg = 'Unable to use tally arithmetic with Tally ID="{0}" ' \ + 'since it does not contain any results.'.format(other.id) + raise ValueError(msg) + + new_name = '({0} {1} {2})'.format(self.name, binary_op, other.name) + new_tally = Tally(name=new_name) + new_tally.with_batch_statistics = True + new_tally._derived = True + + data = self._align_tally_data(other) + + if binary_op == '+': + new_tally._mean = data['self']['mean'] + data['other']['mean'] + new_tally._std_dev = np.sqrt(data['self']['std. dev.']**2 + + data['other']['std. dev.']**2) + elif binary_op == '-': + data = self._align_tally_data(other) + new_tally._mean = data['self']['mean'] - data['other']['mean'] + new_tally._std_dev = np.sqrt(data['self']['std. dev.']**2 + + data['other']['std. dev.']**2) + elif binary_op == '*': + data = self._align_tally_data(other) + self_rel_err = data['self']['std. dev.'] / data['self']['mean'] + other_rel_err = data['other']['std. dev.'] / data['other']['mean'] + new_tally._mean = data['self']['mean'] * data['other']['mean'] + new_tally._std_dev = np.abs(new_tally.mean) * \ + np.sqrt(self_rel_err**2 + other_rel_err**2) + elif binary_op == '/': + data = self._align_tally_data(other) + self_rel_err = data['self']['std. dev.'] / data['self']['mean'] + other_rel_err = data['other']['std. dev.'] / data['other']['mean'] + new_tally._mean = data['self']['mean'] / data['other']['mean'] + new_tally._std_dev = np.abs(new_tally.mean) * \ + np.sqrt(self_rel_err**2 + other_rel_err**2) + elif binary_op == '^': + data = self._align_tally_data(other) + mean_ratio = data['other']['mean'] / data['self']['mean'] + first_term = mean_ratio * data['self']['std. dev.'] + second_term = \ + np.log(data['self']['mean']) * data['other']['std. dev.'] + new_tally._mean = data['self']['mean'] ** data['other']['mean'] + new_tally._std_dev = np.abs(new_tally.mean) * \ + np.sqrt(first_term**2 + second_term**2) + + if self.estimator == other.estimator: + new_tally.estimator = self.estimator + if self.with_summary and other.with_summary: + new_tally.with_summary = self.with_summary + if self.num_realizations == other.num_realizations: + new_tally.num_realizations = self.num_realizations + new_tally.num_score_bins = self.num_score_bins * other.num_score_bins + + # Generate filter "outer products" + if self.filters == other.filters: + for self_filter in self.filters: + new_tally.add_filter(self_filter) + else: + all_filters = [self.filters, other.filters] + for self_filter, other_filter in itertools.product(*all_filters): + new_filter = CrossFilter(self_filter, other_filter, binary_op) + new_tally.add_filter(new_filter) + + # Generate score "outer products" + if self.scores == other.scores: + for self_score in self.scores: + new_tally.add_score(self_score) + else: + all_scores = [self.scores, other.scores] + for self_score, other_score in itertools.product(*all_scores): + new_score = CrossScore(self_score, other_score, binary_op) + new_tally.add_score(new_score) + + # Generate nuclide "outer products" + if self.nuclides == other.nuclides: + for self_nuclide in self.nuclides: + new_tally.nuclides.append(self_nuclide) + else: + all_nuclides = [self.nuclides, other.nuclides] + for self_nuclide, other_nuclide in itertools.product(*all_nuclides): + new_nuclide = CrossNuclide(self_nuclide, other_nuclide, binary_op) + new_tally.add_nuclide(new_nuclide) + + return new_tally + + def _align_tally_data(self, other): + """Aligns data from two tallies for tally arithmetic. + + This is a helper method to construct a dict of dicts of the "aligned" + data arrays from each tally for tally arithmetic. The method analyzes + the filters, scores and nuclides in both tally's and determines how to + appropriately align the data for vectorized arithmetic. For example, + if the two tallies have different filters, this method will use NumPy + 'tile' and 'repeat' operations to the new data arrays such that all + possible combinations of the data in each tally's bins will be made + when the arithmetic operation is applied to the arrays. + + Parameters + ---------- + other : Tally + The tally to outer product with this tally + + Returns + ------- + dict + A dictionary of dictionaries to "aligned" 'mean' and 'std. dev' + NumPy arrays for each tally's data. + + + """ + + self_mean = copy.deepcopy(self.mean) + self_std_dev = copy.deepcopy(self.std_dev) + other_mean = copy.deepcopy(other.mean) + other_std_dev = copy.deepcopy(other.std_dev) + + if self.filters != other.filters: + + # Determine the number of paired combinations of filter bins + # between the two tallies and repeat arrays along filter axes + self_repeat_factor = other.num_filter_bins + other_tile_factor = self.num_filter_bins + + # Replicate the data + self_mean = np.repeat(self_mean, self_repeat_factor, axis=0) + other_mean = np.tile(other_mean, (other_tile_factor, 1, 1)) + self_std_dev = np.repeat(self_std_dev, self_repeat_factor, axis=0) + other_std_dev = np.tile(other_std_dev, (other_tile_factor, 1, 1)) + + if self.nuclides != other.nuclides: + + # Determine the number of paired combinations of nuclides + # between the two tallies and repeat arrays along nuclide axes + self_repeat_factor = other.num_nuclides + other_tile_factor = self.num_nuclides + + # Replicate the data + self_mean = np.repeat(self_mean, self_repeat_factor, axis=1) + other_mean = np.tile(other_mean, (1, other_tile_factor, 1)) + self_std_dev = np.repeat(self_std_dev, self_repeat_factor, axis=1) + other_std_dev = np.tile(other_std_dev, (1, other_tile_factor, 1)) + + if self.scores != other.scores: + + # Determine the number of paired combinations of score bins + # between the two tallies and repeat arrays along score axes + self_repeat_factor = other.num_score_bins + other_tile_factor = self.num_score_bins + + # Replicate the data + self_mean = np.repeat(self_mean, self_repeat_factor, axis=2) + other_mean = np.tile(other_mean, (1, 1, other_tile_factor)) + self_std_dev = np.repeat(self_std_dev, self_repeat_factor, axis=2) + other_std_dev = np.tile(other_std_dev, (1, 1, other_tile_factor)) + + data = {} + data['self'] = {} + data['other'] = {} + data['self']['mean'] = self_mean + data['other']['mean'] = other_mean + data['self']['std. dev.'] = self_std_dev + data['other']['std. dev.'] = other_std_dev + return data + + def __add__(self, other): + """Adds this tally to another tally or scalar value. + + This method builds a new tally with data that is the sum of this + tally's data and that from the other tally or scalar value. If the + filters, scores and nuclides in the two tallies are not the same, then + they are combined in all possible ways in the new derived tally. + + Uncertainty propagation is used to compute the standard deviation + for the new tally's data. It is important to note that this makes + the assumption that the tally data is independently distributed. + In most use cases, this is *not* true and may lead to under-prediction + of the uncertainty. The uncertainty propagation model is from the + following source: + + https://en.wikipedia.org/wiki/Propagation_of_uncertainty + + Parameters + ---------- + other : Tally or Real + The tally or scalar value to add to this tally + + Returns + ------- + Tally + A new derived tally which is the sum of this tally and the other + tally or scalar value in the addition. + + Raises + ------ + ValueError + When this method is called before the Tally is populated with data + by the StatePoint.read_results() method. + + """ + + # Check that results have been read + if not self.derived and self.sum is None: + msg = 'Unable to use tally arithmetic with Tally ID="{0}" ' \ + 'since it does not contain any results.'.format(self.id) + raise ValueError(msg) + + if isinstance(other, Tally): + new_tally = self._outer_product(other, binary_op='+') + + elif isinstance(other, Real): + new_tally = Tally(name='derived') + new_tally._derived = True + new_tally.with_batch_statistics = True + new_tally.name = self.name + new_tally._mean = self._mean + other + new_tally._std_dev = self._std_dev + new_tally.estimator = self.estimator + new_tally.with_summary = self.with_summary + new_tally.num_realization = self.num_realizations + new_tally.num_score_bins = self.num_score_bins + + for filter in self.filters: + new_tally.add_filter(filter) + for nuclide in self.nuclides: + new_tally.add_nuclide(nuclide) + for score in self.scores: + new_tally.add_score(score) + + else: + msg = 'Unable to add "{0}" to Tally ID="{1}"'.format(other, self.id) + raise ValueError(msg) + + return new_tally + + def __sub__(self, other): + """Subtracts another tally or scalar value from this tally. + + This method builds a new tally with data that is the difference of + this tally's data and that from the other tally or scalar value. If the + filters, scores and nuclides in the two tallies are not the same, then + they are combined in all possible ways in the new derived tally. + + Uncertainty propagation is used to compute the standard deviation + for the new tally's data. It is important to note that this makes + the assumption that the tally data is independently distributed. + In most use cases, this is *not* true and may lead to under-prediction + of the uncertainty. The uncertainty propagation model is from the + following source: + + https://en.wikipedia.org/wiki/Propagation_of_uncertainty + + Parameters + ---------- + other : Tally or Real + The tally or scalar value to subtract from this tally + + Returns + ------- + Tally + A new derived tally which is the difference of this tally and the + other tally or scalar value in the subtraction. + + Raises + ------ + ValueError + When this method is called before the Tally is populated with data + by the StatePoint.read_results() method. + + """ + + # Check that results have been read + if not self.derived and self.sum is None: + msg = 'Unable to use tally arithmetic with Tally ID="{0}" ' \ + 'since it does not contain any results.'.format(self.id) + raise ValueError(msg) + + if isinstance(other, Tally): + new_tally = self._outer_product(other, binary_op='-') + + elif isinstance(other, Real): + new_tally = Tally(name='derived') + new_tally._derived = True + new_tally.name = self.name + new_tally._mean = self._mean - other + new_tally._std_dev = self._std_dev + new_tally.estimator = self.estimator + new_tally.with_summary = self.with_summary + new_tally.num_realization = self.num_realizations + new_tally.num_score_bins = self.num_score_bins + + for filter in self.filters: + new_tally.add_filter(filter) + for nuclide in self.nuclides: + new_tally.add_nuclide(nuclide) + for score in self.scores: + new_tally.add_score(score) + + else: + msg = 'Unable to subtract "{0}" from Tally ' \ + 'ID="{1}"'.format(other, self.id) + raise ValueError(msg) + + return new_tally + + def __mul__(self, other): + """Multiplies this tally with another tally or scalar value. + + This method builds a new tally with data that is the product of + this tally's data and that from the other tally or scalar value. If the + filters, scores and nuclides in the two tallies are not the same, then + they are combined in all possible ways in the new derived tally. + + Uncertainty propagation is used to compute the standard deviation + for the new tally's data. It is important to note that this makes + the assumption that the tally data is independently distributed. + In most use cases, this is *not* true and may lead to under-prediction + of the uncertainty. The uncertainty propagation model is from the + following source: + + https://en.wikipedia.org/wiki/Propagation_of_uncertainty + + Parameters + ---------- + other : Tally or Real + The tally or scalar value to multiply with this tally + + Returns + ------- + Tally + A new derived tally which is the product of this tally and the + other tally or scalar value in the multiplication. + + Raises + ------ + ValueError + When this method is called before the Tally is populated with data + by the StatePoint.read_results() method. + + """ + + # Check that results have been read + if not self.derived and self.sum is None: + msg = 'Unable to use tally arithmetic with Tally ID="{0}" ' \ + 'since it does not contain any results.'.format(self.id) + raise ValueError(msg) + + if isinstance(other, Tally): + new_tally = self._outer_product(other, binary_op='*') + + elif isinstance(other, Real): + new_tally = Tally(name='derived') + new_tally._derived = True + new_tally.name = self.name + new_tally._mean = self._mean * other + new_tally._std_dev = self._std_dev * np.abs(other) + new_tally.estimator = self.estimator + new_tally.with_summary = self.with_summary + new_tally.num_realization = self.num_realizations + new_tally.num_score_bins = self.num_score_bins + + for filter in self.filters: + new_tally.add_filter(filter) + for nuclide in self.nuclides: + new_tally.add_nuclide(nuclide) + for score in self.scores: + new_tally.add_score(score) + + else: + msg = 'Unable to multiply Tally ID="{0}" ' \ + 'by "{1}"'.format(self.id, other) + raise ValueError(msg) + + return new_tally + + def __div__(self, other): + """Divides this tally by another tally or scalar value. + + This method builds a new tally with data that is the dividend of + this tally's data and that from the other tally or scalar value. If the + filters, scores and nuclides in the two tallies are not the same, then + they are combined in all possible ways in the new derived tally. + + Uncertainty propagation is used to compute the standard deviation + for the new tally's data. It is important to note that this makes + the assumption that the tally data is independently distributed. + In most use cases, this is *not* true and may lead to under-prediction + of the uncertainty. The uncertainty propagation model is from the + following source: + + https://en.wikipedia.org/wiki/Propagation_of_uncertainty + + Parameters + ---------- + other : Tally or Real + The tally or scalar value to divide this tally by + + Returns + ------- + Tally + A new derived tally which is the dividend of this tally and the + other tally or scalar value in the division. + + Raises + ------ + ValueError + When this method is called before the Tally is populated with data + by the StatePoint.read_results() method. + + """ + + # Check that results have been read + if not self.derived and self.sum is None: + msg = 'Unable to use tally arithmetic with Tally ID="{0}" ' \ + 'since it does not contain any results.'.format(self.id) + raise ValueError(msg) + + if isinstance(other, Tally): + new_tally = self._outer_product(other, binary_op='/') + + elif isinstance(other, Real): + new_tally = Tally(name='derived') + new_tally._derived = True + new_tally.name = self.name + new_tally._mean = self._mean / other + new_tally._std_dev = self._std_dev * np.abs(1. / other) + new_tally.estimator = self.estimator + new_tally.with_summary = self.with_summary + new_tally.num_realization = self.num_realizations + new_tally.num_score_bins = self.num_score_bins + + for filter in self.filters: + new_tally.add_filter(filter) + for nuclide in self.nuclides: + new_tally.add_nuclide(nuclide) + for score in self.scores: + new_tally.add_score(score) + + else: + msg = 'Unable to divide Tally ID="{0}" ' \ + 'by "{1}"'.format(self.id, other) + raise ValueError(msg) + + return new_tally + + def __pow__(self, power): + """Raises this tally to another tally or scalar value power. + + This method builds a new tally with data that is the power of + this tally's data to that from the other tally or scalar value. If the + filters, scores and nuclides in the two tallies are not the same, then + they are combined in all possible ways in the new derived tally. + + Uncertainty propagation is used to compute the standard deviation + for the new tally's data. It is important to note that this makes + the assumption that the tally data is independently distributed. + In most use cases, this is *not* true and may lead to under-prediction + of the uncertainty. The uncertainty propagation model is from the + following source: + + https://en.wikipedia.org/wiki/Propagation_of_uncertainty + + Parameters + ---------- + power : Tally or Real + The tally or scalar value exponent + + Returns + ------- + Tally + A new derived tally which is this tally raised to the power of the + other tally or scalar value in the exponentiation. + + Raises + ------ + ValueError + When this method is called before the Tally is populated with data + by the StatePoint.read_results() method. + + """ + + # Check that results have been read + if not self.derived and self.sum is None: + msg = 'Unable to use tally arithmetic with Tally ID="{0}" ' \ + 'since it does not contain any results.'.format(self.id) + raise ValueError(msg) + + if isinstance(power, Tally): + new_tally = self._outer_product(power, binary_op='^') + + elif isinstance(power, Real): + new_tally = Tally(name='derived') + new_tally._derived = True + new_tally.name = self.name + new_tally._mean = self._mean ** power + self_rel_err = self.std_dev / self.mean + new_tally._std_dev = np.abs(new_tally._mean * power * self_rel_err) + new_tally.estimator = self.estimator + new_tally.with_summary = self.with_summary + new_tally.num_realization = self.num_realizations + new_tally.num_score_bins = self.num_score_bins + + for filter in self.filters: + new_tally.add_filter(filter) + for nuclide in self.nuclides: + new_tally.add_nuclide(nuclide) + for score in self.scores: + new_tally.add_score(score) + + else: + msg = 'Unable to raise Tally ID="{0}" to ' \ + 'power "{1}"'.format(self.id, power) + raise ValueError(msg) + + return new_tally + + def __radd__(self, other): + """Right addition with a scalar value. + + This reverses the operands and calls the __add__ method. + + Parameters + ---------- + other : Integer or Real + The scalar value to add to this tally + + Returns + ------- + Tally + A new derived tally of this tally added with the scalar value. + + """ + + return self + other + + def __rsub__(self, other): + """Right subtraction from a scalar value. + + This reverses the operands and calls the __sub__ method. + + Parameters + ---------- + other : Integer or Real + The scalar value to subtract this tally from + + Returns + ------- + Tally + A new derived tally of this tally subtracted from the scalar value. + + """ + + return -1. * self + other + + def __rmul__(self, other): + """Right multiplication with a scalar value. + + This reverses the operands and calls the __mul__ method. + + Parameters + ---------- + other : Integer or Real + The scalar value to multiply with this tally + + Returns + ------- + Tally + A new derived tally of this tally multiplied by the scalar value. + + """ + + return self * other + + def __rdiv__(self, other): + """Right division with a scalar value. + + This reverses the operands and calls the __div__ method. + + Parameters + ---------- + other : Integer or Real + The scalar value to divide by this tally + + Returns + ------- + Tally + A new derived tally of the scalar value divided by this tally. + + """ + + return other * self**-1 + + def __pos__(self): + """The absolute value of this tally. + + Returns + ------- + Tally + A new derived tally which is the absolute value of this tally. + + """ + + new_tally = copy.deepcopy(self) + new_tally._mean = np.abs(new_tally.mean) + return new_tally + + def __neg__(self): + """The negated value of this tally. + + Returns + ------- + Tally + A new derived tally which is the negated value of this tally. + + """ + + new_tally = self * -1 + return new_tally + + def get_slice(self, scores=[], filters=[], filter_bins=[], nuclides=[]): + """Build a sliced tally for the specified filters, scores and nuclides. + + This method constructs a new tally to encapsulate a subset of the data + represented by this tally. The subset of data to included in the tally + slice is determined by the scores, filters and nuclides specified in + the input parameters. + + Parameters + ---------- + scores : list + A list of one or more score strings + (e.g., ['absorption', 'nu-fission']; default is []) + + filters : list + A list of filter type strings + (e.g., ['mesh', 'energy']; default is []) + + filter_bins : list + A list of the filter bins corresponding to the filter_types + parameter (e.g., [1, (0., 0.625e-6)]; default is []). Each bin in + the list is the integer ID for 'material', 'surface', 'cell', + 'cellborn', and 'universe' Filters. Each bin is an integer for the + cell instance ID for 'distribcell Filters. Each bin is a 2-tuple of + floats for 'energy' and 'energyout' filters corresponding to the + energy boundaries of the bin of interest. The bin is a (x,y,z) + 3-tuple for 'mesh' filters corresponding to the mesh cell of + interest. The order of the bins in the list must correspond of the + filter_types parameter. + + nuclides : list + A list of nuclide name strings + (e.g., ['U-235', 'U-238']; default is []) + + Returns + ------- + Tally + A new tally which encapsulates the subset of data requested in the + order each filter, nuclide and score is listed in the parameters. + + Raises + ------ + ValueError + When this method is called before the Tally is populated with data + by the StatePoint.read_results() method. + + """ + + # Ensure that StatePoint.read_results() was called first + if self.sum is None: + msg = 'Unable to use tally arithmetic with Tally ID="{0}" ' \ + 'since it does not contain any results.'.format(self.id) + raise ValueError(msg) + + new_tally = copy.deepcopy(self) + new_sum = self.get_values(scores, filters, filter_bins, + nuclides, 'sum') + new_sum_sq = self.get_values(scores, filters, filter_bins, + nuclides, 'sum_sq') + + new_tally.sum = new_sum + new_tally.sum_sq = new_sum_sq + new_tally._mean = None + new_tally._std_dev = None + + # SCORES + if scores: + score_indices = [] + + # Determine the score indices from any of the requested scores + for score in self.scores: + if score not in scores: + score_index = self.get_score_index(score) + score_indices.append(score_index) + + # Loop over indices in reverse to remove excluded scores + for score_index in reversed(score_indices): + new_tally.remove_score(self.scores[score_index]) + new_tally.num_score_bins -= 1 + + # NUCLIDES + if nuclides: + nuclide_indices = [] + + # Determine the nuclide indices from any of the requested nuclides + for nuclide in self.nuclides: + if nuclide.name not in nuclides: + nuclide_index = self.get_nuclide_index(nuclide.name) + nuclide_indices.append(nuclide_index) + + # Loop over indices in reverse to remove excluded Nuclides + for nuclide_index in reversed(nuclide_indices): + new_tally.remove_nuclide(self.nuclides[nuclide_index]) + + # FILTERS + if filters: + + # Determine the filter indices from any of the requested filters + for i, filter_type in enumerate(filters): + filter = new_tally.find_filter(filter_type) + + # Remove and/or reorder filter bins to user specifications + bin_indices = [] + + for filter_bin in filter_bins[i]: + bin_index = filter.get_bin_index(filter_bin) + bin_indices.append(bin_index) + + new_bins = filter.bins[bin_indices] + filter.bins = new_bins + + # Correct each Filter's stride + stride = new_tally.num_nuclides * new_tally.num_score_bins + for filter in reversed(new_tally.filters): + filter.stride = stride + stride *= filter.num_bins + + return new_tally + + +class TalliesFile(object): + """Tallies file used for an OpenMC simulation. Corresponds directly to the + tallies.xml input file. + + """ + + def __init__(self): + # Initialize TalliesFile class attributes + self._tallies = [] + self._meshes = [] + self._tallies_file = ET.Element("tallies") + + def add_tally(self, tally, merge=False): + """Add a tally to the file + + Parameters + ---------- + tally : Tally + Tally to add to file + merge : bool + Indicate whether the tally should be merged with an existing tally, + if possible. Defaults to False. + + """ + + if not isinstance(tally, Tally): + msg = 'Unable to add a non-Tally "{0}" to the TalliesFile'.format(tally) + raise ValueError(msg) + + if merge: + merged = False + + # Look for a tally to merge with this one + for i, tally2 in enumerate(self._tallies): + + # If a mergeable tally is found + if tally2.can_merge(tally): + # Replace tally 2 with the merged tally + merged_tally = tally2.merge(tally) + self._tallies[i] = merged_tally + merged = True + break + + # If not mergeable tally was found, simply add this tally + if not merged: + self._tallies.append(tally) + + else: + self._tallies.append(tally) + + def remove_tally(self, tally): + """Remove a tally from the file + + Parameters + ---------- + tally : Tally + Tally to remove + + """ + + self._tallies.remove(tally) + + def merge_tallies(self): + """Merge any mergeable tallies together. Note that n-way merges are + possible. + + """ + + for i, tally1 in enumerate(self._tallies): + for j, tally2 in enumerate(self._tallies): + # Do not merge the same tally with itself + if i == j: + continue + + # If the two tallies are mergeable + if tally1.can_merge(tally2): + # Replace tally 1 with the merged tally + merged_tally = tally1.merge(tally2) + self._tallies[i] = merged_tally + + # Remove tally 2 since it is no longer needed + self._tallies.pop(j) + + # Continue iterating from the first loop + break + + def add_mesh(self, mesh): + """Add a mesh to the file + + Parameters + ---------- + mesh : openmc.mesh.Mesh + Mesh to add to the file + + """ + + if not isinstance(mesh, Mesh): + msg = 'Unable to add a non-Mesh "{0}" to the TalliesFile'.format(mesh) + raise ValueError(msg) + + self._meshes.append(mesh) + + def remove_mesh(self, mesh): + """Remove a mesh from the file + + Parameters + ---------- + mesh : openmc.mesh.Mesh + Mesh to remove from the file + + """ + + self._meshes.remove(mesh) + + def _create_tally_subelements(self): + for tally in self._tallies: + xml_element = tally.get_tally_xml() + self._tallies_file.append(xml_element) + + def _create_mesh_subelements(self): + for mesh in self._meshes: + if len(mesh._name) > 0: + self._tallies_file.append(ET.Comment(mesh._name)) + + xml_element = mesh.get_mesh_xml() + self._tallies_file.append(xml_element) + + def export_to_xml(self): + """Create a tallies.xml file that can be used for a simulation. + + """ + + self._create_mesh_subelements() + self._create_tally_subelements() + + # Clean the indentation in the file to be user-readable + clean_xml_indentation(self._tallies_file) + + # Write the XML Tree to the tallies.xml file + tree = ET.ElementTree(self._tallies_file) + tree.write("tallies.xml", xml_declaration=True, + encoding='utf-8', method="xml") diff --git a/openmc/temp.py b/openmc/temp.py new file mode 100644 index 0000000000..91f6082996 --- /dev/null +++ b/openmc/temp.py @@ -0,0 +1,12 @@ +from checkvalue import * +from checkvalue import _isinstance + +import numpy as np + +zs = np.zeros((2,)) + +print _isinstance(zs[0], Integral) +print _isinstance(zs[0], Real) +print _isinstance(zs[0], (Integral, Real)) + +print check_iterable_type('thing', zs, (Real, Integral)) diff --git a/openmc/trigger.py b/openmc/trigger.py new file mode 100644 index 0000000000..e695defde2 --- /dev/null +++ b/openmc/trigger.py @@ -0,0 +1,126 @@ +from numbers import Real +from xml.etree import ElementTree as ET +import sys + +from openmc.checkvalue import check_type, check_value + +if sys.version_info[0] >= 3: + basestring = str + + +class Trigger(object): + """A criterion for when to finish a simulation based on tally uncertainties. + + Parameters + ---------- + trigger_type : {'variance', 'std_dev', 'rel_err'} + Determine whether to trigger on the variance, standard deviation, or + relative error of scores. + threshold : float + The threshold for the trigger type. + + Attributes + ---------- + trigger_type : {'variance', 'std_dev', 'rel_err'} + Determine whether to trigger on the variance, standard deviation, or + relative error of scores. + threshold : float + The threshold for the trigger type. + scores : list of str + Scores which should be checked against the trigger + + """ + + def __init__(self, trigger_type, threshold): + # Initialize Mesh class attributes + self.trigger_type = trigger_type + self.threshold = threshold + self._scores = [] + + def __deepcopy__(self, memo): + existing = memo.get(id(self)) + + # If this is first time we have tried to copy this object, create a copy + if existing is None: + clone = type(self).__new__(type(self)) + clone._trigger_type = self._trigger_type + clone._threshold = self._threshold + + clone._scores = [] + for score in self._scores: + clone.add_score(score) + + memo[id(self)] = clone + + return clone + + # If this object has been copied before, return the first copy made + else: + return existing + + @property + def trigger_type(self): + return self._trigger_type + + @property + def threshold(self): + return self._threshold + + @property + def scores(self): + return self._scores + + @trigger_type.setter + def trigger_type(self, trigger_type): + check_value('tally trigger type', trigger_type, + ['variance', 'std_dev', 'rel_err']) + self._trigger_type = trigger_type + + @threshold.setter + def threshold(self, threshold): + check_type('tally trigger threshold', threshold, Real) + self._threshold = threshold + + def add_score(self, score): + """Add a score to the list of scores to be checked against the trigger. + + Parameters + ---------- + score : str + Score to append + + """ + + if not isinstance(score, basestring): + msg = 'Unable to add score "{0}" to tally trigger since ' \ + 'it is not a string'.format(score) + raise ValueError(msg) + + # If the score is already in the Tally, don't add it again + if score in self._scores: + return + else: + self._scores.append(score) + + def __repr__(self): + string = 'Trigger\n' + string += '{0: <16}{1}{2}\n'.format('\tType', '=\t', self._trigger_type) + string += '{0: <16}{1}{2}\n'.format('\tThreshold', '=\t', self._threshold) + string += '{0: <16}{1}{2}\n'.format('\tScores', '=\t', self._scores) + return string + + def get_trigger_xml(self, element): + """Return XML representation of the trigger + + Returns + ------- + element : xml.etree.ElementTree.Element + XML element containing trigger data + + """ + + subelement = ET.SubElement(element, "trigger") + subelement.set("type", self._trigger_type) + subelement.set("threshold", str(self._threshold)) + if len(self._scores) != 0: + subelement.set("scores", ' '.join(map(str, self._scores))) diff --git a/openmc/universe.py b/openmc/universe.py new file mode 100644 index 0000000000..bab10f5df7 --- /dev/null +++ b/openmc/universe.py @@ -0,0 +1,1371 @@ +import abc +from collections import OrderedDict, Iterable +from numbers import Real, Integral +from xml.etree import ElementTree as ET +import sys + +import numpy as np + +import openmc +import openmc.checkvalue as cv + +if sys.version_info[0] >= 3: + basestring = str + +# A static variable for auto-generated Cell IDs +AUTO_CELL_ID = 10000 + +# A dictionary for storing IDs of cell elements that have already been written, +# used to optimize the writing process +WRITTEN_IDS = {} + + +def reset_auto_cell_id(): + global AUTO_CELL_ID + AUTO_CELL_ID = 10000 + + +class Cell(object): + """A region of space defined as the intersection of half-space created by + quadric surfaces. + + Parameters + ---------- + cell_id : int, optional + Unique identifier for the cell. If not specified, an identifier will + automatically be assigned. + name : str, optional + Name of the cell. If not specified, the name is the empty string. + + Attributes + ---------- + id : int + Unique identifier for the cell + name : str + Name of the cell + fill : Material or Universe or Lattice or 'void' + Indicates what the region of space is filled with + surfaces : dict + Dictionary whose keys are surface IDs and values are 2-tuples of a + Surface object and an integer identify whether the positive or negative + half-space is to be used + rotation : ndarray + If the cell is filled with a universe, this array specifies the angles + in degrees about the x, y, and z axes that the filled universe should be + rotated. + translation : ndarray + If the cell is filled with a universe, this array specifies a vector + that is used to translate (shift) the universe. + offsets : ndarray + Array of offsets used for distributed cell searches + + """ + + def __init__(self, cell_id=None, name=''): + # Initialize Cell class attributes + self.id = cell_id + self.name = name + self._fill = None + self._type = None + self._surfaces = {} + self._rotation = None + self._translation = None + self._offsets = None + + @property + def id(self): + return self._id + + @property + def name(self): + return self._name + + @property + def fill(self): + return self._fill + + @property + def type(self): + return self._fill + + @property + def surfaces(self): + return self._surfaces + + @property + def rotation(self): + return self._rotation + + @property + def translation(self): + return self._translation + + @property + def offsets(self): + return self._offsets + + @id.setter + def id(self, cell_id): + if cell_id is None: + global AUTO_CELL_ID + self._id = AUTO_CELL_ID + AUTO_CELL_ID += 1 + else: + cv.check_type('cell ID', cell_id, Integral) + cv.check_greater_than('cell ID', cell_id, 0) + self._id = cell_id + + @name.setter + def name(self, name): + cv.check_type('cell name', name, basestring) + self._name = name + + @fill.setter + def fill(self, fill): + if isinstance(fill, basestring): + if fill.strip().lower() == 'void': + self._type = 'void' + else: + msg = 'Unable to set Cell ID="{0}" to use a non-Material or ' \ + 'Universe fill "{1}"'.format(self._id, fill) + raise ValueError(msg) + + elif isinstance(fill, openmc.Material): + self._type = 'normal' + + elif isinstance(fill, Universe): + self._type = 'fill' + + elif isinstance(fill, Lattice): + self._type = 'lattice' + + else: + msg = 'Unable to set Cell ID="{0}" to use a non-Material or ' \ + 'Universe fill "{1}"'.format(self._id, fill) + raise ValueError(msg) + + self._fill = fill + + @rotation.setter + def rotation(self, rotation): + cv.check_type('cell rotation', rotation, Iterable, Real) + cv.check_length('cell rotation', rotation, 3) + self._rotation = rotation + + @translation.setter + def translation(self, translation): + cv.check_type('cell translation', translation, Iterable, Real) + cv.check_length('cell translation', translation, 3) + self._translation = translation + + @offsets.setter + def offsets(self, offsets): + cv.check_type('cell offsets', offsets, Iterable) + self._offsets = offsets + + def add_surface(self, surface, halfspace): + """Add a half-space to the list of half-spaces whose intersection defines the + cell. + + Parameters + ---------- + surface : openmc.surface.Surface + Quadric surface dividing space + halfspace : {-1, 1} + Indicate whether the negative or positive half-space is to be used + + """ + + if not isinstance(surface, openmc.Surface): + msg = 'Unable to add Surface "{0}" to Cell ID="{1}" since it is ' \ + 'not a Surface object'.format(surface, self._id) + raise ValueError(msg) + + if halfspace not in [-1, +1]: + msg = 'Unable to add Surface "{0}" to Cell ID="{1}" with halfspace ' \ + '"{2}" since it is not +/-1'.format(surface, self._id, halfspace) + raise ValueError(msg) + + # If the Cell does not already contain the Surface, add it + if surface._id not in self._surfaces: + self._surfaces[surface._id] = (surface, halfspace) + + def remove_surface(self, surface): + """Remove the half-space associated with a particular surface. + + Parameters + ---------- + surface : openmc.surface.Surface + Surface to remove from definition + + """ + + if not isinstance(surface, openmc.Surface): + msg = 'Unable to remove Surface "{0}" from Cell ID="{1}" since it is ' \ + 'not a Surface object'.format(surface, self._id) + raise ValueError(msg) + + # If the Cell contains the Surface, delete it + if surface._id in self._surfaces: + del self._surfaces[surface._id] + + def get_offset(self, path, filter_offset): + # Get the current element and remove it from the list + cell_id = path[0] + path = path[1:] + + # If the Cell is filled by a Material + if self._type == 'normal' or self._type == 'void': + offset = 0 + + # If the Cell is filled by a Universe + elif self._type == 'fill': + offset = self._offsets[filter_offset-1] + offset += self._fill.get_offset(path, filter_offset) + + # If the Cell is filled by a Lattice + else: + offset = self._fill.get_offset(path, filter_offset) + + return offset + + def get_all_nuclides(self): + """Return all nuclides contained in the cell + + Returns + ------- + nuclides : dict + Dictionary whose keys are nuclide names and values are 2-tuples of + (nuclide, density) + + """ + + nuclides = {} + + if self._type != 'void': + nuclides.update(self._fill.get_all_nuclides()) + + return nuclides + + def get_all_cells(self): + """Return all cells that are contained within this one if it is filled with a + universe or lattice + + Returns + ------- + cells : dict + Dictionary whose keys are cell IDs and values are Cell instances + + """ + + cells = {} + + if self._type == 'fill' or self._type == 'lattice': + cells.update(self._fill.get_all_cells()) + + return cells + + def get_all_universes(self): + """Return all universes that are contained within this one if any of + its cells are filled with a universe or lattice. + + Returns + ------- + universes : dict + Dictionary whose keys are universe IDs and values are Universe + instances + + """ + + universes = {} + + if self._type == 'fill': + universes[self._fill._id] = self._fill + universes.update(self._fill.get_all_universes()) + elif self._type == 'lattice': + universes.update(self._fill.get_all_universes()) + + return universes + + def __repr__(self): + string = 'Cell\n' + string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id) + string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name) + + if isinstance(self._fill, openmc.Material): + string += '{0: <16}{1}{2}\n'.format('\tMaterial', '=\t', + self._fill._id) + elif isinstance(self._fill, (Universe, Lattice)): + string += '{0: <16}{1}{2}\n'.format('\tFill', '=\t', + self._fill._id) + else: + string += '{0: <16}{1}{2}\n'.format('\tFill', '=\t', self._fill) + + string += '{0: <16}{1}\n'.format('\tSurfaces', '=\t') + + for surface_id in self._surfaces: + halfspace = self._surfaces[surface_id][1] + string += '{0} '.format(halfspace * surface_id) + + string = string.rstrip(' ') + '\n' + + string += '{0: <16}{1}{2}\n'.format('\tRotation', '=\t', + self._rotation) + string += '{0: <16}{1}{2}\n'.format('\tTranslation', '=\t', + self._translation) + string += '{0: <16}{1}{2}\n'.format('\tOffset', '=\t', self._offsets) + + return string + + def create_xml_subelement(self, xml_element): + element = ET.Element("cell") + element.set("id", str(self._id)) + + if len(self._name) > 0: + element.set("name", str(self._name)) + + if isinstance(self._fill, openmc.Material): + element.set("material", str(self._fill._id)) + + elif isinstance(self._fill, (Universe, Lattice)): + element.set("fill", str(self._fill._id)) + self._fill.create_xml_subelement(xml_element) + + elif self._fill.strip().lower() == "void": + element.set("material", "void") + + else: + element.set("fill", str(self._fill)) + self._fill.create_xml_subelement(xml_element) + + if self._surfaces is not None: + surfaces = '' + + for surface_id in self._surfaces: + # Determine if XML element already includes this Surface + path = './surface[@id=\'{0}\']'.format(surface_id) + test = xml_element.find(path) + + # If the element does not contain the Surface subelement + if test is None: + # Create the XML subelement for this Surface + surface = self._surfaces[surface_id][0] + surface_subelement = surface.create_xml_subelement() + xml_element.append(surface_subelement) + + # Append the halfspace and Surface ID + halfspace = self._surfaces[surface_id][1] + surfaces += '{0} '.format(halfspace * surface_id) + + element.set("surfaces", surfaces.rstrip(' ')) + + if self._translation is not None: + element.set("translation", ' '.join(map(str, self._translation))) + + if self._rotation is not None: + element.set("rotation", ' '.join(map(str, self._rotation))) + + return element + + +# A static variable for auto-generated Lattice (Universe) IDs +AUTO_UNIVERSE_ID = 10000 + + +def reset_auto_universe_id(): + global AUTO_UNIVERSE_ID + AUTO_UNIVERSE_ID = 10000 + + +class Universe(object): + """A collection of cells that can be repeated. + + Parameters + ---------- + universe_id : int, optional + Unique identifier of the universe. If not specified, an identifier will + automatically be assigned + name : str, optional + Name of the universe. If not specified, the name is the empty string. + + Attributes + ---------- + id : int + Unique identifier of the universe + name : str + Name of the universe + cells : dict + Dictionary whose keys are cell IDs and values are Cell instances + + """ + + def __init__(self, universe_id=None, name=''): + # Initialize Cell class attributes + self.id = universe_id + self.name = name + + # Keys - Cell IDs + # Values - Cells + self._cells = {} + + # Keys - Cell IDs + # Values - Offsets + self._cell_offsets = OrderedDict() + self._num_regions = 0 + + @property + def id(self): + return self._id + + @property + def name(self): + return self._name + + @property + def cells(self): + return self._cells + + @id.setter + def id(self, universe_id): + if universe_id is None: + global AUTO_UNIVERSE_ID + self._id = AUTO_UNIVERSE_ID + AUTO_UNIVERSE_ID += 1 + else: + cv.check_type('universe ID', universe_id, Integral) + cv.check_greater_than('universe ID', universe_id, 0, True) + self._id = universe_id + + @name.setter + def name(self, name): + cv.check_type('universe name', name, basestring) + self._name = name + + def add_cell(self, cell): + """Add a cell to the universe. + + Parameters + ---------- + cell : Cell + Cell to add + + """ + + if not isinstance(cell, Cell): + msg = 'Unable to add a Cell to Universe ID="{0}" since "{1}" is not ' \ + 'a Cell'.format(self._id, cell) + raise ValueError(msg) + + cell_id = cell._id + + if cell_id not in self._cells: + self._cells[cell_id] = cell + + def add_cells(self, cells): + """Add multiple cells to the universe. + + Parameters + ---------- + cells : array-like of Cell + Cells to add + + """ + + if not isinstance(cells, Iterable): + msg = 'Unable to add Cells to Universe ID="{0}" since "{1}" is not ' \ + 'iterable'.format(self._id, cells) + raise ValueError(msg) + + for cell in cells: + self.add_cell(cell) + + def remove_cell(self, cell): + """Remove a cell from the universe. + + Parameters + ---------- + cell : Cell + Cell to remove + + """ + + if not isinstance(cell, Cell): + msg = 'Unable to remove a Cell from Universe ID="{0}" since "{1}" is ' \ + 'not a Cell'.format(self._id, cell) + raise ValueError(msg) + + cell_id = cell.getId() + + # If the Cell is in the Universe's list of Cells, delete it + if cell_id in self._cells: + del self._cells[cell_id] + + def clear_cells(self): + """Remove all cells from the universe.""" + + self._cells.clear() + + def get_offset(self, path, filter_offset): + # Get the current element and remove it from the list + path = path[1:] + + # Get the Cell ID + cell_id = path[0] + + # Make a recursive call to the Cell within this Universe + offset = self._cells[cell_id].get_offset(path, filter_offset) + + # Return the offset computed at all nested Universe levels + return offset + + def get_all_nuclides(self): + """Return all nuclides contained in the universe + + Returns + ------- + nuclides : dict + Dictionary whose keys are nuclide names and values are 2-tuples of + (nuclide, density) + + """ + + nuclides = {} + + # Append all Nuclides in each Cell in the Universe to the dictionary + for cell_id, cell in self._cells.items(): + nuclides.update(cell.get_all_nuclides()) + + return nuclides + + def get_all_cells(self): + """Return all cells that are contained within the universe + + Returns + ------- + cells : dict + Dictionary whose keys are cell IDs and values are Cell instances + + """ + + cells = {} + + # Add this Universe's cells to the dictionary + cells.update(self._cells) + + # Append all Cells in each Cell in the Universe to the dictionary + for cell_id, cell in self._cells.items(): + cells.update(cell.get_all_cells()) + + return cells + + def get_all_universes(self): + """Return all universes that are contained within this one. + + Returns + ------- + universes : dict + Dictionary whose keys are universe IDs and values are Universe + instances + + """ + + # Get all Cells in this Universe + cells = self.get_all_cells() + + universes = {} + + # Append all Universes containing each Cell to the dictionary + for cell_id, cell in cells.items(): + universes.update(cell.get_all_universes()) + + return universes + + def __repr__(self): + string = 'Universe\n' + string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id) + string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name) + string += '{0: <16}{1}{2}\n'.format('\tCells', '=\t', + list(self._cells.keys())) + string += '{0: <16}{1}{2}\n'.format('\t# Regions', '=\t', + self._num_regions) + return string + + def create_xml_subelement(self, xml_element): + # Iterate over all Cells + for cell_id, cell in self._cells.items(): + + # If the cell was not already written, write it + if cell_id not in WRITTEN_IDS: + WRITTEN_IDS[cell_id] = None + + # Create XML subelement for this Cell + cell_subelement = cell.create_xml_subelement(xml_element) + + # Append the Universe ID to the subelement and add to Element + cell_subelement.set("universe", str(self._id)) + xml_element.append(cell_subelement) + + +class Lattice(object): + """A repeating structure wherein each element is a universe. + + Parameters + ---------- + lattice_id : int, optional + Unique identifier for the lattice. If not specified, an identifier will + automatically be assigned. + name : str, optional + Name of the lattice. If not specified, the name is the empty string. + + Attributes + ---------- + id : int + Unique identifier for the lattice + name : str + Name of the lattice + pitch : float + Pitch of the lattice in cm + outer : int + The unique identifier of a universe to fill all space outside the + lattice + universes : ndarray of Universe + An array of universes filling each element of the lattice + + """ + + # This is an abstract class which cannot be instantiated + __metaclass__ = abc.ABCMeta + + def __init__(self, lattice_id=None, name=''): + # Initialize Lattice class attributes + self.id = lattice_id + self.name = name + self._pitch = None + self._outer = None + self._universes = None + + @property + def id(self): + return self._id + + @property + def name(self): + return self._name + + @property + def pitch(self): + return self._pitch + + @property + def outer(self): + return self._outer + + @property + def universes(self): + return self._universes + + @id.setter + def id(self, lattice_id): + if lattice_id is None: + global AUTO_UNIVERSE_ID + self._id = AUTO_UNIVERSE_ID + AUTO_UNIVERSE_ID += 1 + else: + cv.check_type('lattice ID', lattice_id, Integral) + cv.check_greater_than('lattice ID', lattice_id, 0) + self._id = lattice_id + + @name.setter + def name(self, name): + cv.check_type('lattice name', name, basestring) + self._name = name + + @outer.setter + def outer(self, outer): + cv.check_type('outer universe', outer, Universe) + self._outer = outer + + @universes.setter + def universes(self, universes): + cv.check_iterable_type('lattice universes', universes, Universe, + min_depth=2, max_depth=3) + self._universes = universes + + def get_unique_universes(self): + """Determine all unique universes in the lattice + + Returns + ------- + universes : dict + Dictionary whose keys are universe IDs and values are Universe + instances + + """ + + univs = dict() + for k in range(len(self._universes)): + for j in range(len(self._universes[k])): + if isinstance(self._universes[k][j], Universe): + u = self._universes[k][j] + univs[u._id] = u + else: + for i in range(len(self._universes[k][j])): + u = self._universes[k][j][i] + assert isinstance(u, Universe) + univs[u._id] = u + + if self.outer is not None: + univs[self.outer._id] = self.outer + + return univs + + def get_all_nuclides(self): + """Return all nuclides contained in the lattice + + Returns + ------- + nuclides : dict + Dictionary whose keys are nuclide names and values are 2-tuples of + (nuclide, density) + + """ + + nuclides = {} + + # Get all unique Universes contained in each of the lattice cells + unique_universes = self.get_unique_universes() + + # Append all Universes containing each cell to the dictionary + for universe_id, universe in unique_universes.items(): + nuclides.update(universe.get_all_nuclides()) + + return nuclides + + def get_all_cells(self): + """Return all cells that are contained within the lattice + + Returns + ------- + cells : dict + Dictionary whose keys are cell IDs and values are Cell instances + + """ + + cells = {} + unique_universes = self.get_unique_universes() + + for universe_id, universe in unique_universes.items(): + cells.update(universe.get_all_cells()) + + return cells + + def get_all_universes(self): + """Return all universes that are contained within the lattice + + Returns + ------- + universes : dict + Dictionary whose keys are universe IDs and values are Universe + instances + + """ + + # Initialize a dictionary of all Universes contained by the Lattice + # in each nested Universe level + all_universes = {} + + # Get all unique Universes contained in each of the lattice cells + unique_universes = self.get_unique_universes() + + # Add the unique Universes filling each Lattice cell + all_universes.update(unique_universes) + + # Append all Universes containing each cell to the dictionary + for universe_id, universe in unique_universes.items(): + all_universes.update(universe.get_all_universes()) + + return all_universes + + +class RectLattice(Lattice): + """A lattice consisting of rectangular prisms. + + Parameters + ---------- + lattice_id : int, optional + Unique identifier for the lattice. If not specified, an identifier will + automatically be assigned. + name : str, optional + Name of the lattice. If not specified, the name is the empty string. + + Attributes + ---------- + id : int + Unique identifier for the lattice + name : str + Name of the lattice + dimension : array-like of int + An array of two or three integers representing the number of lattice + cells in the x- and y- (and z-) directions, respectively. + lower_left : array-like of float + The coordinates of the lower-left corner of the lattice. If the lattice + is two-dimensional, only the x- and y-coordinates are specified. + + """ + + def __init__(self, lattice_id=None, name=''): + super(RectLattice, self).__init__(lattice_id, name) + + # Initialize Lattice class attributes + self._dimension = None + self._lower_left = None + self._offsets = None + + @property + def dimension(self): + return self._dimension + + @property + def lower_left(self): + return self._lower_left + + @property + def offsets(self): + return self._offsets + + @dimension.setter + def dimension(self, dimension): + cv.check_type('lattice dimension', dimension, Iterable, Integral) + cv.check_length('lattice dimension', dimension, 2, 3) + for dim in dimension: + cv.check_greater_than('lattice dimension', dim, 0) + self._dimension = dimension + + @lower_left.setter + def lower_left(self, lower_left): + cv.check_type('lattice lower left corner', lower_left, Iterable, Real) + cv.check_length('lattice lower left corner', lower_left, 2, 3) + self._lower_left = lower_left + + @offsets.setter + def offsets(self, offsets): + cv.check_type('lattice offsets', offsets, Iterable) + self._offsets = offsets + + @Lattice.pitch.setter + def pitch(self, pitch): + cv.check_type('lattice pitch', pitch, Iterable, Real) + cv.check_length('lattice pitch', pitch, 2, 3) + for dim in pitch: + cv.check_greater_than('lattice pitch', dim, 0.0) + self._pitch = pitch + + def get_offset(self, path, filter_offset): + # Get the current element and remove it from the list + i = path[0] + path = path[1:] + + # For 2D Lattices + if len(self._dimension) == 2: + offset = self._offsets[i[1]-1, i[2]-1, 0, filter_offset-1] + offset += self._universes[i[1]][i[2]].get_offset(path, filter_offset) + + # For 3D Lattices + else: + offset = self._offsets[i[1]-1, i[2]-1, i[3]-1, filter_offset-1] + offset += self._universes[i[1]-1][i[2]-1][i[3]-1].get_offset(path, + filter_offset) + + return offset + + def __repr__(self): + string = 'RectLattice\n' + string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id) + string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name) + string += '{0: <16}{1}{2}\n'.format('\tDimension', '=\t', + self._dimension) + string += '{0: <16}{1}{2}\n'.format('\tLower Left', '=\t', + self._lower_left) + string += '{0: <16}{1}{2}\n'.format('\tPitch', '=\t', self._pitch) + + if self._outer is not None: + string += '{0: <16}{1}{2}\n'.format('\tOuter', '=\t', + self._outer._id) + else: + string += '{0: <16}{1}{2}\n'.format('\tOuter', '=\t', + self._outer) + + string += '{0: <16}\n'.format('\tUniverses') + + # Lattice nested Universe IDs - column major for Fortran + for i, universe in enumerate(np.ravel(self._universes)): + string += '{0} '.format(universe._id) + + # Add a newline character every time we reach end of row of cells + if (i+1) % self._dimension[-1] == 0: + string += '\n' + + string = string.rstrip('\n') + + if self._offsets is not None: + string += '{0: <16}\n'.format('\tOffsets') + + # Lattice cell offsets + for i, offset in enumerate(np.ravel(self._offsets)): + string += '{0} '.format(offset) + + # Add a newline character when we reach end of row of cells + if (i+1) % self._dimension[-1] == 0: + string += '\n' + + string = string.rstrip('\n') + + return string + + def create_xml_subelement(self, xml_element): + # Determine if XML element already contains subelement for this Lattice + path = './lattice[@id=\'{0}\']'.format(self._id) + test = xml_element.find(path) + + # If the element does contain the Lattice subelement, then return + if test is not None: + return + + lattice_subelement = ET.Element("lattice") + lattice_subelement.set("id", str(self._id)) + + if len(self._name) > 0: + lattice_subelement.set("name", str(self._name)) + + # Export the Lattice cell pitch + pitch = ET.SubElement(lattice_subelement, "pitch") + pitch.text = ' '.join(map(str, self._pitch)) + + # Export the Lattice outer Universe (if specified) + if self._outer is not None: + outer = ET.SubElement(lattice_subelement, "outer") + outer.text = '{0}'.format(self._outer._id) + self._outer.create_xml_subelement(xml_element) + + # Export Lattice cell dimensions + dimension = ET.SubElement(lattice_subelement, "dimension") + dimension.text = ' '.join(map(str, self._dimension)) + + # Export Lattice lower left + lower_left = ET.SubElement(lattice_subelement, "lower_left") + lower_left.text = ' '.join(map(str, self._lower_left)) + + # Export the Lattice nested Universe IDs - column major for Fortran + universe_ids = '\n' + + # 3D Lattices + if len(self._dimension) == 3: + for z in range(self._dimension[2]): + for y in range(self._dimension[1]): + for x in range(self._dimension[0]): + universe = self._universes[x][y][z] + + # Append Universe ID to the Lattice XML subelement + universe_ids += '{0} '.format(universe._id) + + # Create XML subelement for this Universe + universe.create_xml_subelement(xml_element) + + # Add newline character when we reach end of row of cells + universe_ids += '\n' + + # Add newline character when we reach end of row of cells + universe_ids += '\n' + + # 2D Lattices + else: + for y in range(self._dimension[1]): + for x in range(self._dimension[0]): + universe = self._universes[x][y] + + # Append Universe ID to Lattice XML subelement + universe_ids += '{0} '.format(universe._id) + + # Create XML subelement for this Universe + universe.create_xml_subelement(xml_element) + + # Add newline character when we reach end of row of cells + universe_ids += '\n' + + # Remove trailing newline character from Universe IDs string + universe_ids = universe_ids.rstrip('\n') + + universes = ET.SubElement(lattice_subelement, "universes") + universes.text = universe_ids + + # Append the XML subelement for this Lattice to the XML element + xml_element.append(lattice_subelement) + + +class HexLattice(Lattice): + """A lattice consisting of hexagonal prisms. + + Parameters + ---------- + lattice_id : int, optional + Unique identifier for the lattice. If not specified, an identifier will + automatically be assigned. + name : str, optional + Name of the lattice. If not specified, the name is the empty string. + + Attributes + ---------- + id : int + Unique identifier for the lattice + name : str + Name of the lattice + num_rings : int + Number of radial ring positions in the xy-plane + num_axial : int + Number of positions along the z-axis. + center : array-like of float + Coordinates of the center of the lattice. If the lattice does not have + axial sections then only the x- and y-coordinates are specified + + """ + + def __init__(self, lattice_id=None, name=''): + super(HexLattice, self).__init__(lattice_id, name) + + # Initialize Lattice class attributes + self._num_rings = None + self._num_axial = None + self._center = None + + @property + def num_rings(self): + return self._num_rings + + @property + def num_axial(self): + return self._num_axial + + @property + def center(self): + return self._center + + @num_rings.setter + def num_rings(self, num_rings): + cv.check_type('number of rings', num_rings, Integral) + cv.check_greater_than('number of rings', num_rings, 0) + self._num_rings = num_rings + + @num_axial.setter + def num_axial(self, num_axial): + cv.check_type('number of axial', num_axial, Integral) + cv.check_greater_than('number of axial', num_axial, 0) + self._num_axial = num_axial + + @center.setter + def center(self, center): + cv.check_type('lattice center', center, Iterable, Real) + cv.check_length('lattice center', center, 2, 3) + self._center = center + + @Lattice.pitch.setter + def pitch(self, pitch): + cv.check_type('lattice pitch', pitch, Iterable, Real) + cv.check_length('lattice pitch', pitch, 1, 2) + for dim in pitch: + cv.check_greater_than('lattice pitch', dim, 0) + self._pitch = pitch + + @Lattice.universes.setter + def universes(self, universes): + # Call Lattice.universes parent class setter property + Lattice.universes.fset(self, universes) + + # NOTE: This routine assumes that the user creates a "ragged" list of + # lists, where each sub-list corresponds to one ring of Universes. + # The sub-lists are ordered from outermost ring to innermost ring. + # The Universes within each sub-list are ordered from the "top" in a + # clockwise fashion. + + # Check to see if the given universes look like a 2D or a 3D array. + if isinstance(self._universes[0][0], Universe): + n_dims = 2 + + elif isinstance(self._universes[0][0][0], Universe): + n_dims = 3 + + else: + msg = 'HexLattice ID={0:d} does not appear to be either 2D or ' \ + '3D. Make sure set_universes was given a two-deep or ' \ + 'three-deep iterable of universes.'.format(self._id) + raise RuntimeError(msg) + + # Set the number of axial positions. + if n_dims == 3: + self.num_axial = len(self._universes) + else: + self._num_axial = None + + # Set the number of rings and make sure this number is consistent for + # all axial positions. + if n_dims == 3: + self.num_rings = len(self._universes) + for rings in self._universes: + if len(rings) != self._num_rings: + msg = 'HexLattice ID={0:d} has an inconsistent number of ' \ + 'rings per axial positon'.format(self._id) + raise ValueError(msg) + + else: + self.num_rings = len(self._universes) + + # Make sure there are the correct number of elements in each ring. + if n_dims == 3: + for axial_slice in self._universes: + # Check the center ring. + if len(axial_slice[-1]) != 1: + msg = 'HexLattice ID={0:d} has the wrong number of ' \ + 'elements in the innermost ring. Only 1 element is ' \ + 'allowed in the innermost ring.'.format(self._id) + raise ValueError(msg) + + # Check the outer rings. + for r in range(self._num_rings-1): + if len(axial_slice[r]) != 6*(self._num_rings - 1 - r): + msg = 'HexLattice ID={0:d} has the wrong number of ' \ + 'elements in ring number {1:d} (counting from the '\ + 'outermost ring). This ring should have {2:d} ' \ + 'elements.'.format(self._id, r, + 6*(self._num_rings - 1 - r)) + raise ValueError(msg) + + else: + axial_slice = self._universes + # Check the center ring. + if len(axial_slice[-1]) != 1: + msg = 'HexLattice ID={0:d} has the wrong number of ' \ + 'elements in the innermost ring. Only 1 element is ' \ + 'allowed in the innermost ring.'.format(self._id) + raise ValueError(msg) + + # Check the outer rings. + for r in range(self._num_rings-1): + if len(axial_slice[r]) != 6*(self._num_rings - 1 - r): + msg = 'HexLattice ID={0:d} has the wrong number of ' \ + 'elements in ring number {1:d} (counting from the '\ + 'outermost ring). This ring should have {2:d} ' \ + 'elements.'.format(self._id, r, + 6*(self._num_rings - 1 - r)) + raise ValueError(msg) + + def __repr__(self): + string = 'HexLattice\n' + string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id) + string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name) + string += '{0: <16}{1}{2}\n'.format('\t# Rings', '=\t', self._num_rings) + string += '{0: <16}{1}{2}\n'.format('\t# Axial', '=\t', self._num_axial) + string += '{0: <16}{1}{2}\n'.format('\tCenter', '=\t', + self._center) + string += '{0: <16}{1}{2}\n'.format('\tPitch', '=\t', self._pitch) + + if self._outer is not None: + string += '{0: <16}{1}{2}\n'.format('\tOuter', '=\t', + self._outer._id) + else: + string += '{0: <16}{1}{2}\n'.format('\tOuter', '=\t', + self._outer) + + string += '{0: <16}\n'.format('\tUniverses') + + if self._num_axial is not None: + slices = [self._repr_axial_slice(x) for x in self._universes] + string += '\n'.join(slices) + + else: + string += self._repr_axial_slice(self._universes) + + return string + + def create_xml_subelement(self, xml_element): + # Determine if XML element already contains subelement for this Lattice + path = './hex_lattice[@id=\'{0}\']'.format(self._id) + test = xml_element.find(path) + + # If the element does contain the Lattice subelement, then return + if test is not None: + return + + lattice_subelement = ET.Element("hex_lattice") + lattice_subelement.set("id", str(self._id)) + + if len(self._name) > 0: + lattice_subelement.set("name", str(self._name)) + + # Export the Lattice cell pitch + pitch = ET.SubElement(lattice_subelement, "pitch") + pitch.text = ' '.join(map(str, self._pitch)) + + # Export the Lattice outer Universe (if specified) + if self._outer is not None: + outer = ET.SubElement(lattice_subelement, "outer") + outer.text = '{0}'.format(self._outer._id) + self._outer.create_xml_subelement(xml_element) + + lattice_subelement.set("n_rings", str(self._num_rings)) + + if self._num_axial is not None: + lattice_subelement.set("n_axial", str(self._num_axial)) + + # Export Lattice cell center + dimension = ET.SubElement(lattice_subelement, "center") + dimension.text = ' '.join(map(str, self._center)) + + # Export the Lattice nested Universe IDs. + + # 3D Lattices + if self._num_axial is not None: + slices = [] + for z in range(self._num_axial): + # Initialize the center universe. + universe = self._universes[z][-1][0] + universe.create_xml_subelement(xml_element) + + # Initialize the remaining universes. + for r in range(self._num_rings-1): + for theta in range(6*(self._num_rings - 1 - r)): + universe = self._universes[z][r][theta] + universe.create_xml_subelement(xml_element) + + # Get a string representation of the universe IDs. + slices.append(self._repr_axial_slice(self._universes[z])) + + # Collapse the list of axial slices into a single string. + universe_ids = '\n'.join(slices) + + # 2D Lattices + else: + # Initialize the center universe. + universe = self._universes[-1][0] + universe.create_xml_subelement(xml_element) + + # Initialize the remaining universes. + for r in range(self._num_rings - 1): + for theta in range(6*(self._num_rings - 1 - r)): + universe = self._universes[r][theta] + universe.create_xml_subelement(xml_element) + + # Get a string representation of the universe IDs. + universe_ids = self._repr_axial_slice(self._universes) + + universes = ET.SubElement(lattice_subelement, "universes") + universes.text = '\n' + universe_ids + + # Append the XML subelement for this Lattice to the XML element + xml_element.append(lattice_subelement) + + def _repr_axial_slice(self, universes): + """Return string representation for the given 2D group of universes. + + The 'universes' argument should be a list of lists of universes where + each sub-list represents a single ring. The first list should be the + outer ring. + """ + + # Find the largest universe ID and count the number of digits so we can + # properly pad the output string later. + largest_id = max([max([univ._id for univ in ring]) + for ring in universes]) + n_digits = len(str(largest_id)) + pad = ' '*n_digits + id_form = '{: ^' + str(n_digits) + 'd}' + + # Initialize the list for each row. + rows = [ [] for i in range(1 + 4 * (self._num_rings-1)) ] + middle = 2 * (self._num_rings - 1) + + # Start with the degenerate first ring. + universe = universes[-1][0] + rows[middle] = [id_form.format(universe._id)] + + # Add universes one ring at a time. + for r in range(1, self._num_rings): + # r_prime increments down while r increments up. + r_prime = self._num_rings - 1 - r + theta = 0 + y = middle + 2*r + + # Climb down the top-right. + for i in range(r): + # Add the universe. + universe = universes[r_prime][theta] + rows[y].append(id_form.format(universe._id)) + + # Translate the indices. + y -= 1 + theta += 1 + + # Climb down the right. + for i in range(r): + # Add the universe. + universe = universes[r_prime][theta] + rows[y].append(id_form.format(universe._id)) + + # Translate the indices. + y -= 2 + theta += 1 + + # Climb down the bottom-right. + for i in range(r): + # Add the universe. + universe = universes[r_prime][theta] + rows[y].append(id_form.format(universe._id)) + + # Translate the indices. + y -= 1 + theta += 1 + + # Climb up the bottom-left. + for i in range(r): + # Add the universe. + universe = universes[r_prime][theta] + rows[y].insert(0, id_form.format(universe._id)) + + # Translate the indices. + y += 1 + theta += 1 + + # Climb up the left. + for i in range(r): + # Add the universe. + universe = universes[r_prime][theta] + rows[y].insert(0, id_form.format(universe._id)) + + # Translate the indices. + y += 2 + theta += 1 + + # Climb up the top-left. + for i in range(r): + # Add the universe. + universe = universes[r_prime][theta] + rows[y].insert(0, id_form.format(universe._id)) + + # Translate the indices. + y += 1 + theta += 1 + + # Flip the rows and join each row into a single string. + rows = [pad.join(x) for x in rows[::-1]] + + # Pad the beginning of the rows so they line up properly. + for y in range(self._num_rings - 1): + rows[y] = (self._num_rings - 1 - y)*pad + rows[y] + rows[-1 - y] = (self._num_rings - 1 - y)*pad + rows[-1 - y] + + for y in range(self._num_rings % 2, self._num_rings, 2): + rows[middle + y] = pad + rows[middle + y] + if y != 0: + rows[middle - y] = pad + rows[middle - y] + + # Join the rows together and return the string. + universe_ids = '\n'.join(rows) + return universe_ids diff --git a/readme.rst b/readme.rst index a010974375..ab13e36f5c 100644 --- a/readme.rst +++ b/readme.rst @@ -2,6 +2,9 @@ OpenMC Monte Carlo Particle Transport Code ========================================== +.. image:: https://travis-ci.org/mit-crpg/openmc.svg?branch=develop + :target: https://travis-ci.org/mit-crpg/openmc + The OpenMC project aims to provide a fully-featured Monte Carlo particle transport code based on modern methods. It is a constructive solid geometry, continuous-energy transport code that uses ACE format cross sections. The diff --git a/scripts/openmc-ascii-to-binary b/scripts/openmc-ascii-to-binary new file mode 100755 index 0000000000..e707e2a857 --- /dev/null +++ b/scripts/openmc-ascii-to-binary @@ -0,0 +1,13 @@ +#!/usr/bin/env python + +from openmc.ace import ascii_to_binary +import sys + + +if __name__ == '__main__': + # Check for proper number of arguments + if len(sys.argv) < 3: + sys.exit('Usage: {0} ascii_file binary_file'.format(sys.argv[0])) + + # Convert ASCII file + ascii_to_binary(sys.argv[1], sys.argv[2]) diff --git a/src/utils/memory_usage.py b/scripts/openmc-memory-usage similarity index 100% rename from src/utils/memory_usage.py rename to scripts/openmc-memory-usage diff --git a/src/utils/plot_mesh_tally.py b/scripts/openmc-plot-mesh-tally similarity index 72% rename from src/utils/plot_mesh_tally.py rename to scripts/openmc-plot-mesh-tally index b78305ebb6..5c46d927c0 100755 --- a/src/utils/plot_mesh_tally.py +++ b/scripts/openmc-plot-mesh-tally @@ -11,7 +11,7 @@ from matplotlib.figure import Figure import matplotlib.pyplot as plt import numpy as np -from statepoint import * +from openmc.statepoint import StatePoint if sys.version_info[0] < 3: import Tkinter as tk @@ -130,14 +130,13 @@ class MeshPlotter(tk.Frame): selectedTally = self.datafile.tallies[tally_id] # Get mesh for selected tally - self.mesh = self.datafile.meshes[ - selectedTally.filters['mesh'].bins[0] - 1] + self.mesh = selectedTally.filters_by_name['mesh'].mesh # Get mesh dimensions self.nx, self.ny, self.nz = self.mesh.dimension # Repopulate comboboxes baesd on current basis selection - text = self.basisBox['values'][self.basisBox.current()] + text = self.basisBox.get() if text == 'xy': self.axialBox['values'] = [str(i+1) for i in range(self.nz)] elif text == 'yz': @@ -164,7 +163,8 @@ class MeshPlotter(tk.Frame): # create a label/combobox for each filter in selected tally count = 0 - for filterType in selectedTally.filters: + for f in selectedTally.filters: + filterType = f.type if filterType == 'mesh': continue count += 1 @@ -176,7 +176,6 @@ class MeshPlotter(tk.Frame): self.filterBoxes[filterType] = combobox # Set combobox items - f = selectedTally.filters[filterType] if filterType in ['energyin', 'energyout']: combobox['values'] = ['{0} to {1}'.format(*f.bins[i:i+2]) for i in range(f.length)] @@ -198,7 +197,7 @@ class MeshPlotter(tk.Frame): def redraw(self, event=None): basis = self.basisBox.current() + 1 axial_level = self.axialBox.current() + 1 - is_mean = self.meanBox.current() + mbvalue = self.meanBox.get() # Get selected tally tally_id = self.meshTallies[self.tallyBox.current()] @@ -206,71 +205,45 @@ class MeshPlotter(tk.Frame): # Create spec_list spec_list = [] - for f in selectedTally.filters.values(): + for f in selectedTally.filters: if f.type == 'mesh': + mesh_filter = f continue index = self.filterBoxes[f.type].current() - spec_list.append((f.type, index)) + spec_list.append((f, index)) - # Take is_mean and convert it to an index of the score - score_loc = is_mean - if score_loc > 1: - score_loc = 1 - - text = self.basisBox['values'][self.basisBox.current()] + text = self.basisBox.get() if text == 'xy': - matrix = np.zeros((self.nx, self.ny)) - for i in range(self.nx): - for j in range(self.ny): - matrix[i, j] = self.datafile.get_value(tally_id, - spec_list + [('mesh', (i + 1, j + 1, axial_level))], - self.scoreBox.current())[score_loc] - # Calculate relative uncertainty from absolute, if requested - if is_mean == 2: - # Take care to handle zero means when normalizing - mean_val = self.datafile.get_value(tally_id, - spec_list + [('mesh', (i + 1, j + 1, axial_level))], - self.scoreBox.current())[0] - if mean_val > 0.0: - matrix[i, j] = matrix[i, j] / mean_val - else: - matrix[i, j] = 0.0 - + dims = (self.nx, self.ny) elif text == 'yz': - matrix = np.zeros((self.ny, self.nz)) - for i in range(self.ny): - for j in range(self.nz): - matrix[i, j] = self.datafile.get_value(tally_id, - spec_list + [('mesh', (axial_level, i + 1, j + 1))], - self.scoreBox.current())[score_loc] - # Calculate relative uncertainty from absolute, if requested - if is_mean == 2: - # Take care to handle zero means when normalizing - mean_val = self.datafile.get_value(tally_id, - spec_list + [('mesh', (axial_level, i + 1, j + 1))], - self.scoreBox.current())[0] - if mean_val > 0.0: - matrix[i, j] = matrix[i, j] / mean_val - else: - matrix[i, j] = 0.0 - + dims = (self.ny, self.nz) else: - matrix = np.zeros((self.nx, self.nz)) - for i in range(self.nx): - for j in range(self.nz): - matrix[i, j] = self.datafile.get_value(tally_id, - spec_list + [('mesh', (i + 1, axial_level, j + 1))], - self.scoreBox.current())[score_loc] - # Calculate relative uncertainty from absolute, if requested - if is_mean == 2: - # Take care to handle zero means when normalizing - mean_val = self.datafile.get_value(tally_id, - spec_list + [('mesh', (i + 1, axial_level, j + 1))], - self.scoreBox.current())[0] - if mean_val > 0.0: - matrix[i, j] = matrix[i, j] / mean_val - else: - matrix[i, j] = 0.0 + dims = (self.nx, self.nz) + matrix = np.zeros(dims) + for i in range(dims[0]): + for j in range(dims[1]): + if text == 'xy': + meshtuple = (i + 1, j + 1, axial_level) + elif text == 'yz': + meshtuple = (axial_level, i + 1, j + 1) + else: + meshtuple = (i + 1, axial_level, j + 1) + filters, filter_bins = zip(*spec_list + [ + (mesh_filter, meshtuple)]) + mean = selectedTally.get_value( + self.scoreBox.get(), filters, filter_bins) + stdev = selectedTally.get_value( + self.scoreBox.get(), filters, filter_bins, + value='std_dev') + if mbvalue == 'Mean': + matrix[i, j] = mean + elif mbvalue == 'Absolute uncertainty': + matrix[i, j] = stdev + else: + if mean > 0.: + matrix[i, j] = stdev/mean + else: + matrix[i, j] = 0. # Clear the figure self.fig.clear() @@ -292,13 +265,14 @@ class MeshPlotter(tk.Frame): # Create StatePoint object and read in data self.datafile = StatePoint(filename) self.datafile.read_results() - self.datafile.generate_stdev() + self.datafile.compute_stdev() # Find which tallies are mesh tallies self.meshTallies = [] - for itally, tally in enumerate(self.datafile.tallies): - if 'mesh' in tally.filters: + for itally, tally in self.datafile.tallies.iteritems(): + if any([f.type == 'mesh' for f in tally.filters]): self.meshTallies.append(itally) + tally.filters_by_name = {f.type: f for f in tally.filters} if not self.meshTallies: messagebox.showerror("Invalid StatePoint File", diff --git a/src/utils/statepoint_3d.py b/scripts/openmc-statepoint-3d similarity index 99% rename from src/utils/statepoint_3d.py rename to scripts/openmc-statepoint-3d index df550782e2..30205c7692 100755 --- a/src/utils/statepoint_3d.py +++ b/scripts/openmc-statepoint-3d @@ -7,7 +7,7 @@ import itertools import re import warnings -from statepoint import StatePoint +from openmc.statepoint import StatePoint alphanum = re.compile(r"[\W_]+") diff --git a/scripts/openmc-statepoint-histogram b/scripts/openmc-statepoint-histogram new file mode 100755 index 0000000000..26e8bdae60 --- /dev/null +++ b/scripts/openmc-statepoint-histogram @@ -0,0 +1,43 @@ +#!/usr/bin/env python + +from __future__ import print_function +from sys import argv +from math import sqrt + +import numpy as np +import scipy.stats +import matplotlib.pyplot as plt + +from openmc.statepoint import StatePoint + +# Get filename +filename = argv[1] + +# Create StatePoint object +sp = StatePoint(filename) +sp.read_results() +sp.compute_ci() + +# Check if tallies are present +if not sp.tallies_present: + raise Exception("No tally data in state point!") + +# Loop over all tallies +for i, t in sp.tallies.items(): + # Determine relative error and fraction of bins with less than 1% half-width + # of CI + n_bins = t.mean.size + relative_error = t.std_dev[t.mean > 0.] / t.mean[t.mean > 0.] + fraction = float(sum(relative_error < 0.01))/n_bins + + # Display results + print("Tally " + str(i)) + print(" Fraction under 1% = {0}".format(fraction)) + print(" Min relative error = {0}".format(min(relative_error))) + print(" Max relative error = {0}".format(max(relative_error))) + print(" Non-scoring bins = {0}".format( + 1.0 - float(relative_error.size)/n_bins)) + + # Plot histogram + plt.hist(relative_error, 100) + plt.show() diff --git a/src/utils/tally_conv.py b/scripts/openmc-tally-convergence similarity index 99% rename from src/utils/tally_conv.py rename to scripts/openmc-tally-convergence index 8f60dd2067..81f45fd717 100755 --- a/src/utils/tally_conv.py +++ b/scripts/openmc-tally-convergence @@ -23,7 +23,7 @@ import numpy as np import scipy.stats import matplotlib.pyplot as plt -from statepoint import StatePoint +from openmc.statepoint import StatePoint ##################################### USER OPTIONS diff --git a/src/utils/track.py b/scripts/openmc-track-to-vtk similarity index 91% rename from src/utils/track.py rename to scripts/openmc-track-to-vtk index a2dca34e14..8db57e2a3f 100755 --- a/src/utils/track.py +++ b/scripts/openmc-track-to-vtk @@ -44,12 +44,12 @@ def main(): if not (fname.endswith('.h5') or fname.endswith('.binary')): raise ValueError("Input file names must either end with '.h5' or" "'.binary'.") - + # Make sure that the output filename ends with '.pvtp'. if not args.out: args.out = 'tracks.pvtp' - elif os.path.splitext(args.out)[1] != '.pvtp': - args.out = ''.join([args.out, '.pvtp']) + elif not args.out.endswith('.pvtp'): + args.out += '.pvtp' # Import HDF library if HDF files are present for fname in args.input: @@ -74,26 +74,28 @@ def main(): coords = h5py.File(fname).get('coordinates') n_points = coords.shape[0] for i in range(n_points): - points.InsertNextPoint(coords[i,:]) - + points.InsertNextPoint(coords[i, :]) + # Create VTK line and assign points to line. line = vtk.vtkPolyLine() line.GetPointIds().SetNumberOfIds(n_points) for i in range(n_points): line.GetPointIds().SetId(i, point_offset+i) - + cells.InsertNextCell(line) point_offset += n_points data = vtk.vtkPolyData() data.SetPoints(points) data.SetLines(cells) - + writer = vtk.vtkXMLPPolyDataWriter() - writer.SetInput(data) + if vtk.vtkVersion.GetVTKMajorVersion() > 5: + writer.SetInputData(data) + else: + writer.SetInput(data) writer.SetFileName(args.out) writer.Write() - if __name__ == '__main__': main() diff --git a/scripts/openmc-update-inputs b/scripts/openmc-update-inputs new file mode 100755 index 0000000000..f2e5308d02 --- /dev/null +++ b/scripts/openmc-update-inputs @@ -0,0 +1,255 @@ +#!/usr/bin/env python +"""Update OpenMC's input XML files to the latest format. + +Usage information can be obtained by running 'update_inputs.py --help': + +usage: update_lattices.py [-h] IN [IN ...] + +Update lattices in geometry.xml files to the latest format. This will remove +'outside' attributes/elements and replace them with 'outer' attributes. Note +that this script will not delete the given files; it will append '.original' +to the given files and write new ones. + +positional arguments: + IN Input geometry.xml file(s). + +optional arguments: + -h, --help show this help message and exit + +""" + +from __future__ import print_function + +import argparse +from itertools import chain +from random import randint +from shutil import move +import xml.etree.ElementTree as ET + + +description = "Update OpenMC's input XML files to the latest format." +epilog = """\ +If any of the given files do not match the most up-to-date formatting, then they +will be automatically rewritten. The old out-of-date files will not be deleted; +they will be moved to a new file with '.original' appended to their name. + +Formatting changes that will be made: + +geometry.xml: Lattices containing 'outside' attributes/tags will be replaced + with lattices containing 'outer' attributes, and the appropriate + cells/universes will be added. +""" + + +def parse_args(): + """Read the input files from the commandline.""" + # Create argument parser. + parser = argparse.ArgumentParser( + description=description, + epilog=epilog, + formatter_class=argparse.RawTextHelpFormatter) + parser.add_argument('input', metavar='IN', type=str, nargs='+', + help='Input geometry.xml file(s).') + + # Parse and return commandline arguments. + return parser.parse_args() + + +def get_universe_ids(geometry_root): + """Return a set of universe id numbers.""" + root = geometry_root + out = {0} + + # Get the ids of universes defined by cells. + for cell in root.iter('cell'): + # Get universe attributes. + if 'universe' in cell.attrib: + uid = cell.attrib['universe'] + out.add(int(uid)) + + # Get universe elements. + elif cell.find('universe') is not None: + elem = cell.find('universe') + uid = elem.text + out.add(int(uid)) + + # Get the ids of universes defined by lattices. + for lat in root.iter('lattice'): + # Get id attributes. + if 'id' in lat.attrib: + uid = lat.attrib['id'] + out.add(int(uid)) + + # Get id elements. + elif lat.find('id') is not None: + elem = lat.find('id') + uid = elem.text + out.add(int(uid)) + + return out + + +def get_cell_ids(geometry_root): + """Return a set of cell id numbers.""" + root = geometry_root + out = set() + + # Get the ids of universes defined by cells. + for cell in root.iter('cell'): + # Get id attributes. + if 'id' in cell.attrib: + cid = cell.attrib['id'] + out.add(int(cid)) + + # Get id elements. + elif cell.find('id') is not None: + elem = cell.find('id') + cid = elem.text + out.add(int(cid)) + + return out + + +def find_new_id(current_ids, preferred=None): + """Return a new id that is not already present in current_ids.""" + distance_from_preferred = 21 + max_random_attempts = 10000 + + # First, try to find an id near the preferred number. + if preferred is not None: + assert isinstance(preferred, int) + for i in range(1, distance_from_preferred): + if (preferred - i not in current_ids) and (preferred - i > 0): + return preferred - i + if (preferred + i not in current_ids) and (preferred + i > 0): + return preferred + i + + # If that was unsuccessful, attempt to randomly guess a new id number. + for i in range(max_random_attempts): + num = randint(1, 2147483647) + if num not in current_inds: + return num + + # Raise an error if an id was not found. + raise RuntimeError('Could not find a unique id number for a new universe.') + + +def get_lat_id(lattice_element): + """Return the id integer of the lattice_element.""" + assert isinstance(lattice_element, ET.Element) + if 'id' in lattice_element.attrib: + return int(lattice_element.attrib['id'].strip()) + elif any([child.tag == 'id' for child in lattice_element]): + elem = lattice_element.find('id') + return int(elem.text.strip()) + else: + raise RuntimeError('Could not find the id for a lattice.') + + +def pop_lat_outside(lattice_element): + """Return lattice's outside material and remove from attributes/elements.""" + assert isinstance(lattice_element, ET.Element) + + # Check attributes. + if 'outside' in lattice_element.attrib: + material = lattice_element.attrib['outside'].strip() + del lattice_element.attrib['outside'] + + # Check subelements. + elif any([child.tag == 'outside' for child in lattice_element]): + elem = lattice_element.find('outside') + material = elem.text.strip() + lattice_element.remove(elem) + + # No 'outside' specified. This means the outside is a void. + else: + material = 'void' + + return material + + +def update_geometry(geometry_root): + """Update the given XML geometry tree. Return True if changes were made.""" + root = geometry_root + was_updated = False + + # Ignore files that do not contain lattices. + if all([child.tag != 'lattice' for child in root]): return False + + # Get a set of already-used universe and cell ids. + uids = get_universe_ids(root) + cids = get_cell_ids(root) + taken_ids = uids.union(cids) + + # Replace 'outside' with 'outer' in lattices. + for lat in chain(root.iter('lattice'), root.iter('hex_lattice')): + # Get the lattice's id. + lat_id = get_lat_id(lat) + + # Ignore lattices that have 'outer' specified. + if any([child.tag == 'outer' for child in lat]): continue + if 'outer' in lat.attrib: continue + + # Pop the 'outside' material. + material = pop_lat_outside(lat) + + # Get an id number for a new outer universe. Ideally, the id should + # be close to the lattice's id. + new_uid = find_new_id(taken_ids, preferred=lat_id) + assert new_uid not in taken_ids + + # Add the new universe filled with the old 'outside' material to the + # geometry. + new_cell = ET.Element('cell') + new_cell.attrib['id'] = str(new_uid) + new_cell.attrib['universe'] = str(new_uid) + new_cell.attrib['material'] = material + root.append(new_cell) + taken_ids.add(new_uid) + + # Add the new universe to the lattice's 'outer' attribute. + lat.attrib['outer'] = str(new_uid) + + was_updated = True + + # Remove 'type' from lattice definitions. + for lat in root.iter('lattice'): + elem = lat.find('type') + if elem is not None: + lat.remove(elem) + was_updated = True + if 'type' in lat.attrib: + del lat.attrib['type'] + was_updated = True + + # Change 'width' to 'pitch' in lattice definitions. + for lat in root.iter('lattice'): + elem = lat.find('width') + if elem is not None: + elem.tag = 'pitch' + was_updated = True + if 'width' in lat.attrib: + lat.attrib['pitch'] = lat.attrib['width'] + del lat.attrib['width'] + was_updated = True + + return was_updated + + +if __name__ == '__main__': + args = parse_args() + for fname in args.input: + # Parse the XML data. + tree = ET.parse(fname) + root = tree.getroot() + was_updated = False + + if root.tag == 'geometry': + was_updated = update_geometry(root) + + if was_updated: + # Move the original geometry file to preserve it. + move(fname, fname + '.original') + + # Write a new geometry file. + tree.write(fname) diff --git a/scripts/openmc-validate-xml b/scripts/openmc-validate-xml new file mode 100755 index 0000000000..e5a45f4691 --- /dev/null +++ b/scripts/openmc-validate-xml @@ -0,0 +1,101 @@ +#!/usr/bin/env python + +from __future__ import print_function + +import os +import sys +import glob +import lxml.etree as etree +from subprocess import call +from optparse import OptionParser + +# Command line parsing +parser = OptionParser() +parser.add_option('-r', '--relaxng-path', dest='relaxng', + help="Path to RelaxNG files.") +parser.add_option('-i', '--input-path', dest='inputs', default=os.getcwd(), + help="Path to OpenMC input files." ) +(options, args) = parser.parse_args() + +# Colored output +if sys.stdout.isatty(): + OK = '\033[92m' + FAIL = '\033[91m' + NOT_FOUND = '\033[93m' + ENDC = '\033[0m' + BOLD = '\033[1m' +else: + OK = '' + FAIL = '' + ENDC = '' + BOLD = '' + NOT_FOUND = '' + +# Get absolute paths +if options.relaxng is not None: + relaxng_path = os.path.abspath(options.relaxng) +if options.inputs is not None: + inputs_path = os.path.abspath(options.inputs) + +# Search for relaxng path if not set +if options.relaxng is None: + xml_validate_path = os.path.abspath(os.path.dirname(sys.argv[0])) + if "bin" in xml_validate_path: + relaxng_path = os.path.join(xml_validate_path, "..", "share", "relaxng") + elif os.path.join("src", "utils") in xml_validate_path: + relaxng_path = os.path.join(xml_validate_path, "..", "relaxng") + else: + raise Exception("Set RelaxNG path with -r command line option.") +if not os.path.exists(relaxng_path): + raise Exception("RelaxNG path: {0} does not exist, set with -r " + "command line option.".format(relaxng_path)) + +# Make sure there are .rng files in RelaxNG path +rng_files = glob.glob(os.path.join(relaxng_path, "*.rng")) +if len(rng_files) == 0: + raise Exception("No .rng files found in RelaxNG " + "path: {0}.".format(relaxng_path)) + +# Get list of xml input files +xml_files = glob.glob(os.path.join(inputs_path, "*.xml")) +if len(xml_files) == 0: + raise Exception("No .xml files found at input path: {0}" + ".".format(inputs_path)) + +# Begin loop around input files +for xml_file in xml_files: + + text = "Validating {0}".format(os.path.basename(xml_file)) + print(text + '.'*(30 - len(text)), end="") + + # Validate the XML file + try: + xml_tree = etree.parse(xml_file) + except etree.XMLSyntaxError as e: + print(BOLD + FAIL + '[XML ERROR]' + ENDC) + print(" {0}".format(e)) + continue + + # Get xml_filename prefix + xml_prefix = os.path.basename(xml_file) + xml_prefix = xml_prefix.split(".")[0] + + # Search for rng file + rng_file = os.path.join(relaxng_path, xml_prefix + ".rng") + if rng_file in rng_files: + + # read in RelaxNG + relaxng_doc = etree.parse(rng_file) + relaxng = etree.RelaxNG(relaxng_doc) + + # validate xml file again RelaxNG + try: + relaxng.assertValid(xml_tree) + print(BOLD + OK + '[VALID]' + ENDC) + except (etree.DocumentInvalid, TypeError) as e: + print(BOLD + FAIL + '[NOT VALID]' + ENDC) + print(" {0}".format(e)) + + # RNG file does not exist + else: + print(BOLD + NOT_FOUND + '[NO RELAXNG FOUND]' + ENDC) diff --git a/scripts/openmc-voxel-to-silovtk b/scripts/openmc-voxel-to-silovtk new file mode 100755 index 0000000000..eb052c75fa --- /dev/null +++ b/scripts/openmc-voxel-to-silovtk @@ -0,0 +1,125 @@ +#!/usr/bin/env python2 + +from __future__ import division, print_function +import struct +import sys + + +def parse_options(): + """Process command line arguments""" + + from optparse import OptionParser + usage = r"""%prog [options] """ + p = OptionParser(usage=usage) + p.add_option('-o', '--output', action='store', dest='output', + default='plot', help='Path to output SILO or VTK file.') + p.add_option('-v', '--vtk', action='store_true', dest='vtk', + default=False, help='Flag to convert to VTK instead of SILO.') + parsed = p.parse_args() + if not parsed[1]: + p.print_help() + return parsed + return parsed + + +def main(file_, o): + print(file_) + fh = open(file_, 'rb') + header = get_header(fh) + meshparms = (header['dimension'] + header['lower_left'] + + header['upper_right']) + nx, ny, nz = meshparms[:3] + ll = header['lower_left'] + + if o.vtk: + try: + import vtk + except: + print('The vtk python bindings do not appear to be installed ' + 'properly.\nOn Ubuntu: sudo apt-get install python-vtk\n' + 'See: http://www.vtk.org/') + return + + origin = [(l + w*n/2.) for n, l, w in + zip((nx, ny, nz), ll, header['width'])] + + grid = vtk.vtkImageData() + grid.SetDimensions(nx+1, ny+1, nz+1) + grid.SetOrigin(*ll) + grid.SetSpacing(*header['width']) + + data = vtk.vtkDoubleArray() + data.SetName("id") + data.SetNumberOfTuples(nx*ny*nz) + for x in range(nx): + sys.stdout.write(" {0}%\r".format(int(x/nx*100))) + sys.stdout.flush() + for y in range(ny): + for z in range(nz): + i = z*nx*ny + y*nx + x + id_ = get_int(fh)[0] + data.SetValue(i, id_) + grid.GetCellData().AddArray(data) + + writer = vtk.vtkXMLImageDataWriter() + if vtk.vtkVersion.GetVTKMajorVersion() > 5: + writer.SetInputData(grid) + else: + writer.SetInput(grid) + if not o.output.endswith(".vti"): + o.output += ".vti" + writer.SetFileName(o.output) + writer.Write() + + else: + try: + import silomesh + except: + print('The silomesh package does not appear to be installed ' + 'properly.\nSee: https://github.com/nhorelik/silomesh/') + return + if not o.output.endswith(".silo"): + o.output += ".silo" + silomesh.init_silo(o.output) + silomesh.init_mesh('plot', *meshparms) + silomesh.init_var("id") + for x in range(1, nx+1): + sys.stdout.write(" {0}%\r".format(int(x/nx*100))) + sys.stdout.flush() + for y in range(1, ny+1): + for z in range(1, nz+1): + id_ = get_int(fh)[0] + silomesh.set_value(float(id_), x, y, z) + print() + silomesh.finalize_var() + silomesh.finalize_mesh() + silomesh.finalize_silo() + + +def get_header(file_): + nx, ny, nz = get_int(file_, 3) + wx, wy, wz = get_double(file_, 3) + lx, ly, lz = get_double(file_, 3) + header = {'dimension': [nx, ny, nz], 'width': [wx, wy, wz], + 'lower_left': [lx, ly, lz], + 'upper_right': [lx+wx*nx, ly+wy*ny, lz+wz*nz]} + return header + + +def get_data(file_, n, typeCode, size): + return list(struct.unpack('={0}{1}'.format(n, typeCode), + file_.read(n*size))) + + +def get_int(file_, n=1, path=None): + return get_data(file_, n, 'i', 4) + + +def get_double(file_, n=1, path=None): + return get_data(file_, n, 'd', 8) + + +if __name__ == '__main__': + (options, args) = parse_options() + if args: + main(args[0], options) diff --git a/src/utils/convert_xsdata.py b/scripts/openmc-xsdata-to-xml similarity index 100% rename from src/utils/convert_xsdata.py rename to scripts/openmc-xsdata-to-xml diff --git a/src/utils/convert_xsdir.py b/scripts/openmc-xsdir-to-xml similarity index 100% rename from src/utils/convert_xsdir.py rename to scripts/openmc-xsdir-to-xml diff --git a/setup.py b/setup.py new file mode 100644 index 0000000000..655e38e3a4 --- /dev/null +++ b/setup.py @@ -0,0 +1,44 @@ +#!/usr/bin/env python + +import glob +import os +try: + from setuptools import setup + have_setuptools = True +except ImportError: + from distutils.core import setup + have_setuptools = False + +kwargs = {'name': 'openmc', + 'version': '0.7.0', + 'packages': ['openmc'], + 'scripts': glob.glob('scripts/openmc-*'), + + # Metadata + 'author': 'Will Boyd', + 'author_email': 'wbinventor@gmail.com', + 'description': 'OpenMC Python API', + 'url': 'https://github.com/mit-crpg/openmc', + 'classifiers': [ + 'Intended Audience :: Developers', + 'Intended Audience :: End Users/Desktop', + 'Intended Audience :: Science/Research', + 'License :: OSI Approved :: MIT License', + 'Natural Language :: English', + 'Programming Language :: Python', + 'Topic :: Scientific/Engineering' + ]} + +if have_setuptools: + kwargs.update({ + # Required dependencies + 'install_requires': ['numpy', 'scipy', 'h5py', 'matplotlib'], + + # Optional dependencies + 'extras_require': { + 'pandas': ['pandas'], + 'vtk': ['vtk', 'silomesh'], + 'validate': ['lxml'] + }}) + +setup(**kwargs) diff --git a/signal.patch b/signal.patch deleted file mode 100644 index 6ac8ad411c..0000000000 --- a/signal.patch +++ /dev/null @@ -1,148 +0,0 @@ -diff --git a/.gitignore b/.gitignore -index 8aa7c1f..4c50efb 100644 ---- a/.gitignore -+++ b/.gitignore -@@ -3,6 +3,7 @@ - *.mod - *.log - *.out -+*__genmod.f90 - - # Compiler python objects - *.pyc -diff --git a/src/Makefile b/src/Makefile -index bab47d2..92f3228 100644 ---- a/src/Makefile -+++ b/src/Makefile -@@ -43,6 +43,7 @@ GIT_SHA1 = $(shell git log -1 2>/dev/null | head -n 1 | awk '{print $$2}') - #=============================================================================== - - ifeq ($(COMPILER),gnu) -+ CC = gcc - F90 = gfortran - F90FLAGS := -cpp -fbacktrace -DNO_F2008 - LDFLAGS = -@@ -71,6 +72,7 @@ endif - #=============================================================================== - - ifeq ($(COMPILER),intel) -+ CC = icc - F90 = ifort - F90FLAGS := -cpp -warn -assume byterecl -traceback - LDFLAGS = -@@ -98,6 +100,7 @@ endif - #=============================================================================== - - ifeq ($(COMPILER),pgi) -+ CC = pgcc - F90 = pgf90 - F90FLAGS := -Mpreprocess -DNO_F2008 -Minform=inform -traceback - LDFLAGS = -@@ -125,6 +128,7 @@ endif - #=============================================================================== - - ifeq ($(COMPILER),ibm) -+ CC = xlc - F90 = xlf2003 - F90FLAGS := -WF,-DNO_F2008 -O2 - -@@ -235,7 +239,7 @@ distclean: clean - cd xml-fortran; make clean - cd templates; make clean - clean: -- @rm -f *.o *.mod $(program) -+ @rm -f *.o *.mod *__genmod.f90 $(program) - neat: - @rm -f *.o *.mod - -@@ -249,6 +253,9 @@ neat: - %.o: %.F90 - $(F90) $(F90FLAGS) -DGIT_SHA1="\"$(GIT_SHA1)\"" -Ixml-fortran -Itemplates -c $< - -+csignal.o: csignal.c -+ $(CC) -c $< -+ - #=============================================================================== - # Dependencies - #=============================================================================== -diff --git a/src/OBJECTS b/src/OBJECTS -index d53f0a5..b2a7f52 100644 ---- a/src/OBJECTS -+++ b/src/OBJECTS -@@ -15,6 +15,7 @@ cmfd_prod_operator.o \ - cmfd_snes_solver.o \ - constants.o \ - cross_section.o \ -+csignal.o \ - dict_header.o \ - doppler.o \ - eigenvalue.o \ -@@ -28,6 +29,7 @@ fixed_source.o \ - geometry.o \ - geometry_header.o \ - global.o \ -+handle_sigint.o \ - hdf5_interface.o \ - initialize.o \ - interpolation.o \ -diff --git a/src/csignal.c b/src/csignal.c -new file mode 100644 -index 0000000..96bfdb5 ---- /dev/null -+++ b/src/csignal.c -@@ -0,0 +1,7 @@ -+#include -+ -+typedef void (*sighandler_t)(int); -+void signal_(int* signum, sighandler_t handler) -+{ -+ signal(*signum, handler); -+} -diff --git a/src/handle_sigint.F90 b/src/handle_sigint.F90 -new file mode 100644 -index 0000000..b2f7d1b ---- /dev/null -+++ b/src/handle_sigint.F90 -@@ -0,0 +1,27 @@ -+!=============================================================================== -+! HANDLE_SIGINT -+!=============================================================================== -+ -+subroutine handle_sigint() -+ -+ use, intrinsic :: ISO_FORTRAN_ENV -+ -+ integer :: option ! selected user option -+ -+ ! Display interrupt options -+ write(OUTPUT_UNIT,*) 'Run interrupted. Select one of the options below:' -+ write(OUTPUT_UNIT,*) ' 1. Continue simulation' -+ write(OUTPUT_UNIT,*) ' 2. Kill simulation' -+ -+ ! Read input from user -+ read(INPUT_UNIT,*) option -+ -+ ! Handle selected option -+ select case (option) -+ case (1) -+ return -+ case (2) -+ stop -+ end select -+ -+end subroutine handle_sigint -diff --git a/src/initialize.F90 b/src/initialize.F90 -index ff3a209..fd2e222 100644 ---- a/src/initialize.F90 -+++ b/src/initialize.F90 -@@ -42,6 +42,10 @@ contains - - subroutine initialize_run() - -+ ! Set up signal handler for SIGINT -+ external handle_sigint -+ call signal(2, handle_sigint) -+ - ! Start total and initialization timer - call time_total % start() - call time_initialize % start() diff --git a/src/ace.F90 b/src/ace.F90 index 3c75fe4a96..0dd92ea2c7 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -88,16 +88,16 @@ contains nuclides(i_nuclide) % resonant = .true. nuclides(i_nuclide) % name_0K = nuclides_0K(n) % name_0K nuclides(i_nuclide) % name_0K = trim(nuclides(i_nuclide) % & - & name_0K) + & name_0K) nuclides(i_nuclide) % scheme = nuclides_0K(n) % scheme nuclides(i_nuclide) % scheme = trim(nuclides(i_nuclide) % & - & scheme) + & scheme) nuclides(i_nuclide) % E_min = nuclides_0K(n) % E_min nuclides(i_nuclide) % E_max = nuclides_0K(n) % E_max if (.not. already_read % contains(nuclides(i_nuclide) % & - & name_0K)) then + & name_0K)) then i_listing = xs_listing_dict % get_key(nuclides(i_nuclide) % & - & name_0K) + & name_0K) call read_ace_table(i_nuclide, i_listing) end if exit @@ -190,7 +190,6 @@ contains ! Deallocate temporary arrays for names of nuclides and S(a,b) tables if (allocated(mat % names)) deallocate(mat % names) - if (allocated(mat % sab_names)) deallocate(mat % sab_names) end do MATERIAL_LOOP2 @@ -447,9 +446,10 @@ contains if (nuc % elastic_0K(i) < ZERO) nuc % elastic_0K(i) = ZERO ! build xs cdf - xs_cdf_sum = xs_cdf_sum + (sqrt(nuc % energy_0K(i)) * nuc % elastic_0K(i) & - & + sqrt(nuc % energy_0K(i+1)) * nuc % elastic_0K(i+1)) / TWO & - & * (nuc % energy_0K(i+1) - nuc % energy_0K(i)) + xs_cdf_sum = xs_cdf_sum & + + (sqrt(nuc % energy_0K(i)) * nuc % elastic_0K(i) & + + sqrt(nuc % energy_0K(i+1)) * nuc % elastic_0K(i+1)) / TWO & + * (nuc % energy_0K(i+1) - nuc % energy_0K(i)) nuc % xs_cdf(i) = xs_cdf_sum end do @@ -753,31 +753,31 @@ contains ! Set flag and allocate space for Tab1 to store yield rxn % multiplicity_with_E = .true. allocate(rxn % multiplicity_E) - + XSS_index = JXS(11) + rxn % multiplicity - 101 NR = nint(XSS(XSS_index)) rxn % multiplicity_E % n_regions = NR - + ! allocate space for ENDF interpolation parameters if (NR > 0) then allocate(rxn % multiplicity_E % nbt(NR)) allocate(rxn % multiplicity_E % int(NR)) end if - + ! read ENDF interpolation parameters XSS_index = XSS_index + 1 if (NR > 0) then rxn % multiplicity_E % nbt = get_int(NR) rxn % multiplicity_E % int = get_int(NR) end if - + ! allocate space for yield data XSS_index = XSS_index + 2*NR NE = nint(XSS(XSS_index)) rxn % multiplicity_E % n_pairs = NE allocate(rxn % multiplicity_E % x(NE)) allocate(rxn % multiplicity_E % y(NE)) - + ! read yield data XSS_index = XSS_index + 1 rxn % multiplicity_E % x = get_real(NE) @@ -1481,7 +1481,7 @@ contains table % inelastic_data(i) % e_out_pdf(j) = XSS(XSS_index + 2) table % inelastic_data(i) % e_out_cdf(j) = XSS(XSS_index + 3) table % inelastic_data(i) % mu(:, j) = & - XSS(XSS_index + 4: XSS_index + 4 + NMU - 1) + XSS(XSS_index + 4: XSS_index + 4 + NMU - 1) XSS_index = XSS_index + 4 + NMU - 1 end do end do diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 1f34a2311b..209b752bf8 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -1,6 +1,6 @@ module ace_header - use constants, only: MAX_FILE_LEN + use constants, only: MAX_FILE_LEN, ZERO use endf_header, only: Tab1 use list_header, only: ListInt @@ -103,7 +103,7 @@ module ace_header ! Energy grid information integer :: n_grid ! # of nuclide grid points - integer, allocatable :: grid_index(:) ! union grid pointers / log grid mapping + integer, allocatable :: grid_index(:) ! log grid mapping indices real(8), allocatable :: energy(:) ! energy values corresponding to xs ! Microscopic cross sections @@ -167,12 +167,12 @@ module ace_header type Nuclide0K - character(10) :: nuclide ! name of nuclide, e.g. U-238 - character(16) :: scheme = 'ares' ! target velocity sampling scheme - character(10) :: name ! name of nuclide, e.g. 92235.03c - character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c - real(8) :: E_min = 0.01e-6 ! lower cutoff energy for res scattering - real(8) :: E_max = 1000.0e-6 ! upper cutoff energy for res scattering + character(10) :: nuclide ! name of nuclide, e.g. U-238 + character(16) :: scheme = 'ares' ! target velocity sampling scheme + character(10) :: name ! name of nuclide, e.g. 92235.03c + character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c + real(8) :: E_min = 0.01e-6_8 ! lower cutoff energy for res scattering + real(8) :: E_max = 1000.0e-6_8 ! upper cutoff energy for res scattering end type Nuclide0K @@ -204,7 +204,7 @@ module ace_header ! threshold for S(a,b) treatment (usually ~4 eV) real(8) :: threshold_inelastic - real(8) :: threshold_elastic = 0.0 + real(8) :: threshold_elastic = ZERO ! Inelastic scattering data integer :: n_inelastic_e_in ! # of incoming E for inelastic @@ -258,7 +258,7 @@ module ace_header type NuclideMicroXS integer :: index_grid ! index on nuclide energy grid integer :: index_temp ! temperature index for nuclide - real(8) :: last_E = 0.0 ! last evaluated energy + real(8) :: last_E = ZERO ! last evaluated energy real(8) :: interp_factor ! interpolation factor on nuc. energy grid real(8) :: total ! microscropic total xs real(8) :: elastic ! microscopic elastic scattering xs @@ -372,9 +372,6 @@ module ace_header integer :: i ! Loop counter - if (allocated(this % grid_index)) & - deallocate(this % grid_index) - if (allocated(this % energy)) & deallocate(this % energy, this % total, this % elastic, & & this % fission, this % nu_fission, this % absorption) diff --git a/src/cmfd_data.F90 b/src/cmfd_data.F90 index b392e86a28..2b17784196 100644 --- a/src/cmfd_data.F90 +++ b/src/cmfd_data.F90 @@ -17,7 +17,7 @@ contains ! SET_UP_CMFD configures cmfd object for a CMFD eigenvalue calculation !============================================================================== - subroutine set_up_cmfd() + subroutine set_up_cmfd() use cmfd_header, only: allocate_cmfd use constants, only: CMFD_NOACCEL @@ -41,7 +41,7 @@ contains ! Calculate dhat call compute_dhat() - end subroutine set_up_cmfd + end subroutine set_up_cmfd !=============================================================================== ! COMPUTE_XS takes tallies and computes macroscopic cross sections @@ -104,26 +104,26 @@ contains cmfd % keff_bal = ZERO - ! Begin loop around tallies - TAL: do ital = 1, n_cmfd_tallies + ! Begin loop around tallies + TAL: do ital = 1, n_cmfd_tallies - ! Associate tallies and mesh - t => cmfd_tallies(ital) - i_mesh = t % filters(t % find_filter(FILTER_MESH)) % int_bins(1) - m => meshes(i_mesh) + ! Associate tallies and mesh + t => cmfd_tallies(ital) + i_mesh = t % filters(t % find_filter(FILTER_MESH)) % int_bins(1) + m => meshes(i_mesh) - i_filter_mesh = t % find_filter(FILTER_MESH) - i_filter_ein = t % find_filter(FILTER_ENERGYIN) - i_filter_eout = t % find_filter(FILTER_ENERGYOUT) - i_filter_surf = t % find_filter(FILTER_SURFACE) + i_filter_mesh = t % find_filter(FILTER_MESH) + i_filter_ein = t % find_filter(FILTER_ENERGYIN) + i_filter_eout = t % find_filter(FILTER_ENERGYOUT) + i_filter_surf = t % find_filter(FILTER_SURFACE) - ! Begin loop around space - ZLOOP: do k = 1,nz + ! Begin loop around space + ZLOOP: do k = 1,nz - YLOOP: do j = 1,ny + YLOOP: do j = 1,ny XLOOP: do i = 1,nx - + ! Check for active mesh cell if (allocated(cmfd%coremap)) then if (cmfd%coremap(i,j,k) == CMFD_NOACCEL) then @@ -345,8 +345,8 @@ contains ! Check for reflector if (cmfd % coremap(i,j,k) == 1) then - ! reset value to CMFD no acceleration constant - cmfd % coremap(i,j,k) = CMFD_NOACCEL + ! reset value to CMFD no acceleration constant + cmfd % coremap(i,j,k) = CMFD_NOACCEL else @@ -368,7 +368,7 @@ contains end subroutine set_coremap !=============================================================================== -! NEUTRON_BALANCE writes a file that contains n. bal. info for all cmfd mesh +! NEUTRON_BALANCE computes the RMS neutron balance over the CMFD mesh !=============================================================================== subroutine neutron_balance() @@ -506,7 +506,7 @@ contains real(8) :: cell_hxyz(3) ! cell dimensions of current ijk cell real(8) :: neig_dc ! diffusion coefficient of neighbor cell real(8) :: neig_hxyz(3) ! cell dimensions of neighbor cell - real(8) :: dtilde ! finite difference coupling parameter + real(8) :: dtilde ! finite difference coupling parameter real(8) :: ref_albedo ! albedo to reflector ! Get maximum of spatial and group indices @@ -600,7 +600,7 @@ contains dtilde = (2*cell_dc*neig_dc)/(neig_hxyz(xyz_idx)*cell_dc + & cell_hxyz(xyz_idx)*neig_dc) - end if + end if end if @@ -712,7 +712,7 @@ contains neig_idx = (/i,j,k/) ! begin with i,j,k neig_idx(xyz_idx) = shift_idx + neig_idx(xyz_idx) - ! Get neigbor flux + ! Get neigbor flux neig_flux = cmfd%flux(g,neig_idx(1),neig_idx(2),neig_idx(3)) / & product(cmfd%hxyz(:,neig_idx(1),neig_idx(2),neig_idx(3))) @@ -728,7 +728,7 @@ contains else ! not a fuel-reflector interface - ! Compute dhat + ! Compute dhat dhat = (net_current + shift_idx*cell_dtilde(l)* & (neig_flux - cell_flux))/(neig_flux + cell_flux) @@ -736,7 +736,7 @@ contains else ! not for fuel-reflector case - ! Compute dhat + ! Compute dhat dhat = (net_current + shift_idx*cell_dtilde(l)* & (neig_flux - cell_flux))/(neig_flux + cell_flux) @@ -786,7 +786,7 @@ contains integer, intent(in) :: l ! iteration counter for leakages integer :: shift_idx ! parameter to shift index by +1 or -1 - real(8) :: current(12) ! partial currents for all faces of mesh cell + real(8) :: current(12) ! partial currents for all faces of mesh cell real(8) :: albedo ! the albedo ! Get partial currents from object @@ -797,7 +797,7 @@ contains ! Calculate albedo if ((shift_idx == 1 .and. current(2*l ) < 1.0e-10_8) .or. & - (shift_idx == -1 .and. current(2*l-1) < 1.0e-10_8)) then + (shift_idx == -1 .and. current(2*l-1) < 1.0e-10_8)) then albedo = ONE else albedo = (current(2*l-1)/current(2*l))**(shift_idx) @@ -872,12 +872,12 @@ contains siga2 = sigt2 - sigs22 - sigs21 ! Compute effective downscatter xs - sigs12_eff = sigs12 - sigs21*flux2/flux1 + sigs12_eff = sigs12 - sigs21*flux2/flux1 ! Recompute total cross sections (use effective and no upscattering) sigt1 = siga1 + sigs11 + sigs12_eff sigt2 = siga2 + sigs22 - + ! Record total xs cmfd % totalxs(1,i,j,k) = sigt1 cmfd % totalxs(2,i,j,k) = sigt2 @@ -886,14 +886,14 @@ contains cmfd % scattxs(1,2,i,j,k) = sigs12_eff ! Zero out upscatter cross section - cmfd % scattxs(2,1,i,j,k) = ZERO + cmfd % scattxs(2,1,i,j,k) = ZERO end do XLOOP end do YLOOP - + end do ZLOOP - end subroutine compute_effective_downscatter + end subroutine compute_effective_downscatter end module cmfd_data diff --git a/src/cmfd_execute.F90 b/src/cmfd_execute.F90 index 8e0eb3fda0..c55d206cbc 100644 --- a/src/cmfd_execute.F90 +++ b/src/cmfd_execute.F90 @@ -1,4 +1,4 @@ -module cmfd_execute +module cmfd_execute !============================================================================== ! CMFD_EXECUTE -- This module is the highest level cmfd module that controls the @@ -20,10 +20,8 @@ contains subroutine execute_cmfd() use cmfd_data, only: set_up_cmfd - use cmfd_power_solver, only: cmfd_power_execute - use cmfd_jfnk_solver, only: cmfd_jfnk_execute use cmfd_solver, only: cmfd_solver_execute - use error, only: warning, fatal_error + use error, only: warning, fatal_error ! CMFD single processor on master if (master) then @@ -31,35 +29,18 @@ contains ! Start cmfd timer call time_cmfd % start() - ! Create cmfd data from OpenMC tallies + ! Create cmfd data from OpenMC tallies call set_up_cmfd() - ! Process solver options - call process_cmfd_options() - ! Call solver -#ifdef PETSC - if (trim(cmfd_solver_type) == 'power') then - call cmfd_power_execute() - elseif (trim(cmfd_solver_type) == 'jfnk') then - call cmfd_jfnk_execute() - else - call fatal_error('solver type became invalid after input processing') - end if -#else call cmfd_solver_execute() -#endif ! Save k-effective cmfd % k_cmfd(current_batch) = cmfd % keff ! check to perform adjoint on last batch if (current_batch == n_batches .and. cmfd_run_adjoint) then - if (trim(cmfd_solver_type) == 'power') then - call cmfd_power_execute(adjoint = .true.) - elseif (trim(cmfd_solver_type) == 'jfnk') then - call cmfd_jfnk_execute(adjoint = .true.) - end if + call cmfd_solver_execute(adjoint=.true.) end if end if @@ -102,26 +83,6 @@ contains end subroutine cmfd_init_batch -!============================================================================== -! PROCESS_CMFD_OPTIONS processes user options that interface with PETSc -!============================================================================== - - subroutine process_cmfd_options() - -#ifdef PETSC - use global, only: cmfd_snes_monitor, cmfd_ksp_monitor, mpi_err - - ! Check for snes monitor - if (cmfd_snes_monitor) call PetscOptionsSetValue("-snes_monitor", & - "stdout", mpi_err) - - ! Check for ksp monitor - if (cmfd_ksp_monitor) call PetscOptionsSetValue("-ksp_monitor", & - "stdout", mpi_err) -#endif - - end subroutine process_cmfd_options - !=============================================================================== ! CALC_FISSION_SOURCE calculates the cmfd fission source !=============================================================================== @@ -130,11 +91,11 @@ contains use constants, only: CMFD_NOACCEL, ZERO, TWO use global, only: cmfd, cmfd_coremap, master, entropy_on, current_batch - use string, only: to_str + use string, only: to_str #ifdef MPI use global, only: mpi_err - use mpi + use message_passing #endif integer :: nx ! maximum number of cells in x direction @@ -160,7 +121,7 @@ contains ! Allocate cmfd source if not already allocated and allocate buffer if (.not. allocated(cmfd % cmfd_src)) & - allocate(cmfd % cmfd_src(ng,nx,ny,nz)) + allocate(cmfd % cmfd_src(ng,nx,ny,nz)) ! Reset cmfd source to 0 cmfd % cmfd_src = ZERO @@ -263,7 +224,7 @@ contains #ifdef MPI use global, only: mpi_err - use mpi + use message_passing #endif logical, intent(in) :: new_weights ! calcualte new weights @@ -291,11 +252,11 @@ contains ng = cmfd % indices(4) ! allocate arrays in cmfd object (can take out later extend to multigroup) - if (.not.allocated(cmfd%sourcecounts)) then + if (.not.allocated(cmfd%sourcecounts)) then allocate(cmfd%sourcecounts(ng,nx,ny,nz)) cmfd % sourcecounts = 0 end if - if (.not.allocated(cmfd % weightfactors)) then + if (.not.allocated(cmfd % weightfactors)) then allocate(cmfd % weightfactors(ng,nx,ny,nz)) cmfd % weightfactors = ONE end if @@ -303,7 +264,7 @@ contains ! Compute new weight factors if (new_weights) then - ! Set weight factors to a default 1.0 + ! Set weight factors to a default 1.0 cmfd%weightfactors = ONE ! Count bank sites in mesh and reverse due to egrid structure diff --git a/src/cmfd_header.F90 b/src/cmfd_header.F90 index c9bc0f32af..e743cc928e 100644 --- a/src/cmfd_header.F90 +++ b/src/cmfd_header.F90 @@ -1,4 +1,4 @@ -module cmfd_header +module cmfd_header use constants, only: CMFD_NOACCEL, ZERO, ONE @@ -17,7 +17,7 @@ module cmfd_header ! Core overlay map integer, allocatable :: coremap(:,:,:) integer, allocatable :: indexmap(:,:) - integer :: mat_dim = CMFD_NOACCEL + integer :: mat_dim = CMFD_NOACCEL ! Energy grid real(8), allocatable :: egrid(:) @@ -51,7 +51,7 @@ module cmfd_header ! Source sites in each mesh box real(8), allocatable :: sourcecounts(:,:,:,:) - ! Weight adjustment factors + ! Weight adjustment factors real(8), allocatable :: weightfactors(:,:,:,:) ! Eigenvector/eigenvalue from cmfd run @@ -118,7 +118,7 @@ contains if (.not. allocated(this % nfissxs)) allocate(this % nfissxs(ng,ng,nx,ny,nz)) if (.not. allocated(this % diffcof)) allocate(this % diffcof(ng,nx,ny,nz)) - ! Allocate dtilde and dhat + ! Allocate dtilde and dhat if (.not. allocated(this % dtilde)) allocate(this % dtilde(6,ng,nx,ny,nz)) if (.not. allocated(this % dhat)) allocate(this % dhat(6,ng,nx,ny,nz)) @@ -167,7 +167,7 @@ contains end subroutine allocate_cmfd !=============================================================================== -! DEALLOCATE_CMFD frees all memory of cmfd type +! DEALLOCATE_CMFD frees all memory of cmfd type !=============================================================================== subroutine deallocate_cmfd(this) diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 578ecb9678..2d44d3e9bc 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -2,10 +2,6 @@ module cmfd_input use global -#ifdef PETSC - use petscsys -#endif - implicit none private public :: configure_cmfd @@ -13,7 +9,7 @@ module cmfd_input contains !=============================================================================== -! CONFIGURE_CMFD initializes PETSc and CMFD parameters +! CONFIGURE_CMFD initializes CMFD parameters !=============================================================================== subroutine configure_cmfd() @@ -32,17 +28,6 @@ contains color = 2 end if - ! Split up procs -#ifdef PETSC - call MPI_COMM_SPLIT(MPI_COMM_WORLD, color, 0, cmfd_comm, mpi_err) - - ! assign to PETSc - PETSC_COMM_WORLD = cmfd_comm - - ! Initialize PETSc on all procs - call PetscInitialize(PETSC_NULL_CHARACTER, mpi_err) -#endif - ! Initialize timers call time_cmfd % reset() call time_cmfdbuild % reset() @@ -59,6 +44,7 @@ contains subroutine read_cmfd_xml() + use constants, only: ZERO, ONE use error, only: fatal_error, warning use global use output, only: write_message @@ -118,7 +104,7 @@ contains cmfd % indices(4) = ng - 1 ! sets energy group dimension else if(.not.allocated(cmfd % egrid)) allocate(cmfd % egrid(2)) - cmfd % egrid = (/0.0_8,20.0_8/) + cmfd % egrid = [ ZERO, 20.0_8 ] cmfd % indices(4) = 1 ! one energy group end if @@ -126,7 +112,7 @@ contains if (check_for_node(node_mesh, "albedo")) then call get_node_array(node_mesh, "albedo", cmfd % albedo) else - cmfd % albedo = (/1.0, 1.0, 1.0, 1.0, 1.0, 1.0/) + cmfd % albedo = [ ONE, ONE, ONE, ONE, ONE, ONE ] end if ! Get acceleration map @@ -134,7 +120,7 @@ contains allocate(cmfd % coremap(cmfd % indices(1), cmfd % indices(2), & cmfd % indices(3))) if (get_arraysize_integer(node_mesh, "map") /= & - product(cmfd % indices(1:3))) then + product(cmfd % indices(1:3))) then call fatal_error('CMFD coremap not to correct dimensions') end if allocate(iarray(get_arraysize_integer(node_mesh, "map"))) @@ -165,31 +151,15 @@ contains cmfd_downscatter = .true. end if - ! Reset dhat parameters + ! Reset dhat parameters if (check_for_node(doc, "dhat_reset")) then call get_node_value(doc, "dhat_reset", temp_str) temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - dhat_reset = .true. + dhat_reset = .true. end if - ! Set the solver type - if (check_for_node(doc, "solver")) & - call get_node_value(doc, "solver", cmfd_solver_type) - ! Set monitoring - if (check_for_node(doc, "snes_monitor")) then - call get_node_value(doc, "snes_monitor", temp_str) - temp_str = to_lower(temp_str) - if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - cmfd_snes_monitor = .true. - end if - if (check_for_node(doc, "ksp_monitor")) then - call get_node_value(doc, "ksp_monitor", temp_str) - temp_str = to_lower(temp_str) - if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - cmfd_ksp_monitor = .true. - end if if (check_for_node(doc, "power_monitor")) then call get_node_value(doc, "power_monitor", temp_str) temp_str = to_lower(temp_str) @@ -210,10 +180,7 @@ contains call get_node_value(doc, "run_adjoint", temp_str) temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & -#ifndef PETSC - call fatal_error('Must use PETSc when running adjoint option.') -#endif - cmfd_run_adjoint = .true. + cmfd_run_adjoint = .true. end if ! Batch to begin cmfd @@ -238,12 +205,6 @@ contains ! Get display if (check_for_node(doc, "display")) & call get_node_value(doc, "display", cmfd_display) - if (trim(cmfd_display) == 'dominance' .and. & - trim(cmfd_solver_type) /= 'power') then - if (master) call warning('Dominance Ratio only aviable with power & - &iteration solver') - cmfd_display = '' - end if ! Read in spectral radius estimate and tolerances if (check_for_node(doc, "spectral")) & @@ -328,7 +289,7 @@ contains ! Determine number of dimensions for mesh n = get_arraysize_integer(node_mesh, "dimension") if (n /= 2 .and. n /= 3) then - call fatal_error("Mesh must be two or three dimensions.") + call fatal_error("Mesh must be two or three dimensions.") end if m % n_dimension = n @@ -357,14 +318,14 @@ contains ! Make sure both upper-right or width were specified if (check_for_node(node_mesh, "upper_right") .and. & - check_for_node(node_mesh, "width")) then + check_for_node(node_mesh, "width")) then call fatal_error("Cannot specify both and on a & &tally mesh.") end if ! Make sure either upper-right or width was specified if (.not.check_for_node(node_mesh, "upper_right") .and. & - .not.check_for_node(node_mesh, "width")) then + .not.check_for_node(node_mesh, "width")) then call fatal_error("Must specify either and on a & &tally mesh.") end if @@ -372,7 +333,7 @@ contains if (check_for_node(node_mesh, "width")) then ! Check to ensure width has same dimensions if (get_arraysize_double(node_mesh, "width") /= & - get_arraysize_double(node_mesh, "lower_left")) then + get_arraysize_double(node_mesh, "lower_left")) then call fatal_error("Number of entries on must be the same as the & &number of entries on .") end if @@ -390,7 +351,7 @@ contains elseif (check_for_node(node_mesh, "upper_right")) then ! Check to ensure width has same dimensions if (get_arraysize_double(node_mesh, "upper_right") /= & - get_arraysize_double(node_mesh, "lower_left")) then + get_arraysize_double(node_mesh, "lower_left")) then call fatal_error("Number of entries on must be the same & &as the number of entries on .") end if @@ -460,8 +421,8 @@ contains if (i == 1) then - ! Set label - t % label = "CMFD flux, total, scatter-1" + ! Set name + t % name = "CMFD flux, total, scatter-1" ! Set tally estimator to analog t % estimator = ESTIMATOR_ANALOG @@ -491,8 +452,8 @@ contains else if (i == 2) then - ! Set label - t % label = "CMFD neutron production" + ! Set name + t % name = "CMFD neutron production" ! Set tally estimator to analog t % estimator = ESTIMATOR_ANALOG @@ -536,8 +497,8 @@ contains else if (i == 3) then - ! Set label - t % label = "CMFD surface currents" + ! Set name + t % name = "CMFD surface currents" ! Set tally estimator to analog t % estimator = ESTIMATOR_ANALOG @@ -587,7 +548,7 @@ contains ! Deallocate filter bins deallocate(filters(1) % int_bins) if (check_for_node(node_mesh, "energy")) & - deallocate(filters(2) % real_bins) + deallocate(filters(2) % real_bins) end do diff --git a/src/cmfd_jfnk_solver.F90 b/src/cmfd_jfnk_solver.F90 deleted file mode 100644 index 0180de6c2d..0000000000 --- a/src/cmfd_jfnk_solver.F90 +++ /dev/null @@ -1,415 +0,0 @@ -module cmfd_jfnk_solver - - use cmfd_loss_operator, only: init_loss_matrix, build_loss_matrix - use cmfd_power_solver, only: cmfd_power_execute - use cmfd_prod_operator, only: init_prod_matrix, build_prod_matrix - use matrix_header, only: Matrix - use solver_interface, only: JFNKSolver, Jfnk_ctx - use vector_header, only: Vector - - implicit none - private - public :: cmfd_jfnk_execute - - logical :: adjoint_calc ! true if an adjoint is to be calculated - type(Jfnk_ctx) :: jfnk_data ! object that holds pointers to user routines - type(Matrix) :: jac_prec ! Jacobian preconditioner object - type(Matrix) :: loss ! CMFD loss matrix - type(Matrix) :: prod ! CMFD production matrix -#ifdef PETSC - type(JFNKSolver) :: jfnk ! JFNK solver object -#endif - type(Vector) :: resvec ! JFNK residual vector - type(Vector) :: xvec ! JFNK solution vector - -contains - -!=============================================================================== -! CMFD_JFNK_EXECUTE main routine for JFNK solver -!=============================================================================== - - subroutine cmfd_jfnk_execute(adjoint) - - use global, only: time_cmfdbuild, time_cmfdsolve - - logical, intent(in), optional :: adjoint ! adjoint calculation - - ! Check for adjoint - adjoint_calc = .false. - if (present(adjoint)) adjoint_calc = adjoint - - ! Seed with power iteration to help converge to fundamental mode - call cmfd_power_execute(k_tol=1.E-3_8, s_tol=1.E-3_8, adjoint=adjoint_calc) - - ! Start timer for build - call time_cmfdbuild % start() - - ! Initialize data - call init_data() - - ! Initialize solver -#ifdef PETSC - call jfnk % create() -#endif - - ! Set up residual and jacobian routines -#ifdef PETSC - jfnk_data % res_proc_ptr => compute_nonlinear_residual - jfnk_data % jac_proc_ptr => build_jacobian_matrix - call jfnk % set_functions(jfnk_data, resvec, jac_prec) -#endif - - ! Stop timer for build - call time_cmfdbuild % stop() - - ! Solve the system - call time_cmfdsolve % start() -#ifdef PETSC - call jfnk % solve(xvec) -#endif - call time_cmfdsolve % stop() - - ! Extracts results to cmfd object - call extract_results() - - ! Deallocate all slepc data - call finalize() - - end subroutine cmfd_jfnk_execute - -!=============================================================================== -! INIT_DATA allocates matrices vectors for CMFD solution -!=============================================================================== - - subroutine init_data() - - use constants, only: ZERO, ONE - use global, only: cmfd, cmfd_adjoint_type, current_batch - - logical :: physical_adjoint ! physical adjoing calculation logical - integer :: n ! size of matrices - - ! Set up all matrices - call init_loss_matrix(loss) - call init_prod_matrix(prod) - call init_jacobian_matrix() - - ! Check for physical adjoint - physical_adjoint = .false. - if (adjoint_calc .and. trim(cmfd_adjoint_type) == 'physical') & - physical_adjoint = .true. - - ! Create matrix operators - call build_loss_matrix(loss, adjoint = physical_adjoint) - call build_prod_matrix(prod, adjoint = physical_adjoint) - - ! Assemble matrices and use PETSc - call loss % assemble() - call prod % assemble() -#ifdef PETSC - call loss % setup_petsc() - call prod % setup_petsc() -#endif - - ! Check for mathematical adjoint - if (adjoint_calc .and. trim(cmfd_adjoint_type) == 'math') & - call compute_adjoint() - - ! Get problem size - n = loss % n - - ! Create problem vectors - call resvec % create(n + 1) - call xvec % create(n + 1) - - ! Set flux in guess from rough power iteration - if (adjoint_calc) then - xvec % val(1:n) = cmfd % adj_phi - else - xvec % val(1:n) = cmfd % phi - end if - - ! Set keff in guess from rough power iteration - if (adjoint_calc) then - xvec % val(n + 1) = ONE/cmfd % adj_keff - else - xvec % val(n + 1) = ONE/cmfd % keff - end if - - ! Set up vectors for PETSc -#ifdef PETSC - call resvec % setup_petsc() - call xvec % setup_petsc() -#endif - - ! Build jacobian from initial guess - call build_jacobian_matrix(xvec) - - ! Set up Jacobian for PETSc -#ifdef PETSC - call jac_prec % setup_petsc() -#endif - - ! Set dominance ratio to 0 - cmfd % dom(current_batch) = ZERO - - end subroutine init_data - -!============================================================================== -! INIT_JACOBIAN_MATRIX preallocates jacobian matrix and initializes it -!============================================================================== - - subroutine init_jacobian_matrix() - - integer :: nnz ! number of nonzeros in matrix - integer :: n ! dimension of matrix - - ! Get length of matrix and number of nonzeros total in loss matrix - nnz = loss % nnz - n = loss % n - - ! There is one more nonzero for each row and and additional row of nonzeros - nnz = nnz + 2*n + 1 - - ! We need 1 more row for the jacobian - n = n + 1 - - ! Configure Jacobian matrix - call jac_prec % create(n, nnz) - - end subroutine init_jacobian_matrix - -!=============================================================================== -! BUILD_JACOBIAN_MATRIX creates the Jacobian of nonlinear eigenvalue problem -!=============================================================================== - - subroutine build_jacobian_matrix(x) - - use constants, only: ONE - - type(Vector), intent(in) :: x ! solution vector - - integer :: i ! loop counter for jacobian rows - integer :: jjac ! loop counter for jacobian cols - integer :: jloss ! loop counter for loss matrix cols - integer :: jprod ! loop counter for prod matrix cols - integer :: n ! problem size - real(8) :: lambda ! eigenvalue - real(8) :: val ! temporary real scalar - type(Vector) :: flux ! flux vector - type(Vector) :: fsrc ! fission source vector - - ! Get the problem size - n = loss % n - - ! Get flux and eigenvalue - flux % val => x % val(1:n) - lambda = x % val(n + 1) - - ! Create fission source vector - call fsrc % create(n) - call prod % vector_multiply(flux, fsrc) - - ! Reset counters in Jacobian matrix - jac_prec % n_count = 1 - jac_prec % nz_count = 1 - - ! Begin loop around rows of Jacobian matrix - ROWS: do i = 1, n - - ! Add a new row in Jacobian - call jac_prec % new_row() - - ! Begin loop around columns of loss matrix - COLS_LOSS: do jloss = loss % get_row(i), loss % get_row(i + 1) - 1 - - ! Start with the value in the loss matrix - val = loss % val(jloss) - - ! Loop around columns of prod matrix - COLS_PROD: do jprod = prod % get_row(i), prod % get_row(i + 1) - 1 - - ! See if columns agree with loss matrix - if (prod % get_col(jprod) == loss % get_col(jloss)) then - val = val - lambda*prod % val(jprod) - exit - end if - - end do COLS_PROD - - ! Record value in jacobian - call jac_prec % add_value(loss % get_col(jloss), val) - - end do COLS_LOSS - - ! Add fission source value - val = -fsrc % val(i) - call jac_prec % add_value(n + 1, val) - - end do ROWS - - ! Need to add negative transpose of flux vector on last row - call jac_prec % new_row() - do jjac = 1, n - val = -flux % val(jjac) - call jac_prec % add_value(jjac, val) - end do - - ! Add unity on bottom right corner of matrix - call jac_prec % add_value(n + 1, ONE) - - ! CRS requires a final value in row - call jac_prec % new_row() - - ! Free all allocated memory - flux % val => null() - call fsrc % destroy() - - end subroutine build_jacobian_matrix - -!=============================================================================== -! COMPUTE_NONLINEAR_RESIDUAL computes the residual of the nonlinear equations -!=============================================================================== -#ifdef PETSC - subroutine compute_nonlinear_residual(x, res) - - use global, only: cmfd_write_matrices - - type(Vector), intent(in) :: x ! solution vector - type(Vector), intent(inout) :: res ! residual vector - - character(len=25) :: filename - integer :: n - real(8) :: lambda - type(Vector) :: res_loss - type(Vector) :: res_prod - type(Vector) :: flux - - ! Get problem size - n = loss % n - - ! Set up temporary vectors - call res_loss % create(n) - call res_prod % create(n) - - ! Extract flux - flux % n = n - flux % val => x % val(1:n) - - ! Extract eigenvalue - lambda = x % val(n + 1) - - ! Calculate M*flux then F*flux - call loss % vector_multiply(flux, res_loss) - call prod % vector_multiply(flux, res_prod) - - ! Put flux component values in residual vector - res % val(1:n) = res_loss % val - lambda*res_prod % val - - ! Put eigenvalue component in residual vector - res % val(n+1) = 0.5_8 - 0.5_8*sum(flux % val * flux % val) - - ! Write out data in binary files (debugging) - if (cmfd_write_matrices) then - - ! Write out residual vector - if (adjoint_calc) then - filename = 'adj_res.bin' - else - filename = 'res.bin' - end if -#ifdef PETSC - call res % write_petsc_binary(filename) -#endif - - ! Write out solution vector - if (adjoint_calc) then - filename = 'adj_x.bin' - else - filename = 'x.bin' - end if -#ifdef PETSC - call x % write_petsc_binary(filename) -#endif - - end if - - end subroutine compute_nonlinear_residual -#endif - -!=============================================================================== -! COMPUTE_ADJOINT calculates mathematical adjoint by taking transposes -!=============================================================================== - - subroutine compute_adjoint() - - use global, only: cmfd_write_matrices - - ! Transpose matrices -#ifdef PETSC - call loss % transpose() - call prod % transpose() -#endif - - ! Write out matrix in binary file (debugging) - if (cmfd_write_matrices) then -#ifdef PETSC - call loss % write_petsc_binary('adj_lossmat.bin') - call loss % write_petsc_binary('adj_prodmat.bin') -#endif - end if - - end subroutine compute_adjoint - -!=============================================================================== -! EXTRACT_RESULTS gets the results and puts them in global CMFD object -!=============================================================================== - - subroutine extract_results() - - use constants, only: ZERO, ONE - use global, only: cmfd - - integer :: n ! problem size - - ! Get problem size - n = loss % n - - ! Also allocate in cmfd object - if (adjoint_calc) then - if (.not. allocated(cmfd % adj_phi)) allocate(cmfd % adj_phi(n)) - else - if (.not. allocated(cmfd % phi)) allocate(cmfd % phi(n)) - end if - - ! Get flux and eigenvalue - if (adjoint_calc) then - cmfd % adj_phi = xvec % val(1:n) - cmfd % adj_keff = ONE / xvec % val(n+1) - else - cmfd % phi = xvec % val(1:n) - cmfd % keff = ONE / xvec % val(n+1) - end if - - end subroutine extract_results - -!=============================================================================== -! FINALIZE frees all memory from a JFNK calculation -!=============================================================================== - - subroutine finalize() - - call loss % destroy() - call prod % destroy() - call jac_prec % destroy() - call xvec % destroy() - call resvec % destroy() -#ifdef PETSC - call jfnk % destroy() -#endif - nullify(jfnk_data % res_proc_ptr) - nullify(jfnk_data % jac_proc_ptr) - - end subroutine finalize - -end module cmfd_jfnk_solver diff --git a/src/cmfd_loss_operator.F90 b/src/cmfd_loss_operator.F90 index b89f0f5772..7dfeed1dbd 100644 --- a/src/cmfd_loss_operator.F90 +++ b/src/cmfd_loss_operator.F90 @@ -54,7 +54,7 @@ contains n_e = 4*(nx - 2) + 4*(ny - 2) + 4*(nz - 2) ! define # of edges n_s = 2*(nx - 2)*(ny - 2) + 2*(nx - 2)*(nz - 2) & + 2*(ny - 2)*(nz - 2) ! define # of sides - n_i = nx*ny*nz - (n_c + n_e + n_s) ! define # of interiors + n_i = nx*ny*nz - (n_c + n_e + n_s) ! define # of interiors nz_c = ng*n_c*(4 + ng - 1) ! define # nonzero corners nz_e = ng*n_e*(5 + ng - 1) ! define # nonzero edges nz_s = ng*n_s*(6 + ng - 1) ! define # nonzero sides @@ -131,7 +131,7 @@ contains ! Check for global boundary if (bound(l) /= nxyz(xyz_idx,dir_idx)) then - ! Check for coremap + ! Check for coremap if (cmfd_coremap) then ! Check for neighbor that is non-acceleartred @@ -139,11 +139,11 @@ contains CMFD_NOACCEL) then ! Get neighbor matrix index - call indices_to_matrix(g,neig_idx(1), neig_idx(2), & + call indices_to_matrix(g,neig_idx(1), neig_idx(2), & neig_idx(3), neig_mat_idx, ng, nx, ny) ! Record nonzero - nnz = nnz + 1 + nnz = nnz + 1 end if @@ -218,11 +218,11 @@ contains real(8) :: jn ! direction dependent leakage coeff to neig real(8) :: jo(6) ! leakage coeff in front of cell flux real(8) :: jnet ! net leakage from jo - real(8) :: val ! temporary variable before saving to + real(8) :: val ! temporary variable before saving to ! Check for adjoint adjoint_calc = .false. - if (present(adjoint)) adjoint_calc = adjoint + if (present(adjoint)) adjoint_calc = adjoint ! Get maximum number of cells in each direction nx = cmfd%indices(1) @@ -257,11 +257,11 @@ contains dhat = ZERO end if - ! Create boundary vector + ! Create boundary vector bound = (/i,i,j,j,k,k/) ! Begin loop over leakages - ! 1=-x, 2=+x, 3=-y, 4=+y, 5=-z, 6=+z + ! 1=-x, 2=+x, 3=-y, 4=+y, 5=-z, 6=+z LEAK: do l = 1,6 ! Define (x,y,z) and (-,+) indices @@ -350,7 +350,7 @@ contains scattxshg = cmfd%scattxs(h, g, i, j, k) end if - ! Negate the scattering xs + ! Negate the scattering xs val = -scattxshg ! Record value in matrix @@ -358,7 +358,7 @@ contains end do SCATTR - end do ROWS + end do ROWS ! CSR requires n+1 row call loss_matrix % new_row() diff --git a/src/cmfd_power_solver.F90 b/src/cmfd_power_solver.F90 deleted file mode 100644 index f80c122b71..0000000000 --- a/src/cmfd_power_solver.F90 +++ /dev/null @@ -1,356 +0,0 @@ -module cmfd_power_solver - -! This module contains routines to execute the power iteration solver - - use cmfd_loss_operator, only: init_loss_matrix, build_loss_matrix - use cmfd_prod_operator, only: init_prod_matrix, build_prod_matrix - use matrix_header, only: Matrix - use solver_interface, only: GMRESSolver - use vector_header, only: Vector - - implicit none - private - public :: cmfd_power_execute - - logical :: iconv ! did the problem converged - real(8) :: k_n ! new k-eigenvalue - real(8) :: k_o ! old k-eigenvalue - real(8) :: ktol = 1.e-8_8 ! tolerance on keff - real(8) :: stol = 1.e-8_8 ! tolerance on source - real(8) :: norm_n ! current norm of source vector - real(8) :: norm_o ! old norm of source vector - real(8) :: kerr ! error in keff - real(8) :: serr ! error in source - logical :: adjoint_calc ! run an adjoint calculation - type(Matrix) :: loss ! cmfd loss matrix - type(Matrix) :: prod ! cmfd prod matrix - type(Vector) :: phi_n ! new flux vector - type(Vector) :: phi_o ! old flux vector - type(Vector) :: s_n ! new source vector - type(Vector) :: s_o ! old flux vector - type(Vector) :: serr_v ! error in source -#ifdef PETSC - type(GMRESSolver) :: gmres ! gmres solver -#endif - -contains - -!=============================================================================== -! CMFD_POWER_EXECUTE sets up and runs power iteration solver for CMFD -!=============================================================================== - - subroutine cmfd_power_execute(k_tol, s_tol, adjoint) - - use global, only: cmfd_adjoint_type, time_cmfdbuild, time_cmfdsolve - - real(8), intent(in), optional :: k_tol ! tolerance on keff - real(8), intent(in), optional :: s_tol ! tolerance on source - logical, intent(in), optional :: adjoint ! adjoint calc - - logical :: physical_adjoint = .false. ! physical adjoint default false - - ! Set tolerances if present - if (present(k_tol)) ktol = k_tol - if (present(s_tol)) stol = s_tol - - ! Check for adjoint execution - adjoint_calc = .false. - if (present(adjoint)) adjoint_calc = adjoint - - ! Check for physical adjoint - if (adjoint_calc .and. trim(cmfd_adjoint_type) == 'physical') & - physical_adjoint = .true. - - ! Start timer for build - call time_cmfdbuild % start() - - ! Initialize solver -#ifdef PETSC - call gmres % create() -#endif - - ! Initialize matrices and vectors - call init_data(physical_adjoint) - - ! Check for mathematical adjoint calculation - if (adjoint_calc .and. trim(cmfd_adjoint_type) == 'math') & - call compute_adjoint() - - ! Set up krylov info -#ifdef PETSC - call gmres % set_oper(loss, loss) -#endif - - ! Stop timer for build - call time_cmfdbuild % stop() - - ! Begin power iteration - call time_cmfdsolve % start() - call execute_power_iter() - call time_cmfdsolve % stop() - - ! Extract results - call extract_results() - - ! Deallocate data - call finalize() - - end subroutine cmfd_power_execute - -!=============================================================================== -! INIT_DATA allocates matrices and vectors for CMFD solution -!=============================================================================== - - subroutine init_data(adjoint) - - use constants, only: ONE, ZERO -#ifdef PETSC - use global, only: cmfd_write_matrices -#endif - - logical, intent(in) :: adjoint ! adjoint calcualtion - - integer :: n ! problem size - real(8) :: guess ! initial guess - - ! Set up matrices - call init_loss_matrix(loss) - call init_prod_matrix(prod) - - ! Get problem size - n = loss % n - - ! Set up flux vectors - call phi_n % create(n) - call phi_o % create(n) - - ! Set up source vectors - call s_n % create(n) - call s_o % create(n) - call serr_v % create(n) - - ! Set initial guess - guess = ONE - phi_n % val = guess - phi_o % val = guess - k_n = guess - k_o = guess - - ! Fill in loss matrix - call build_loss_matrix(loss, adjoint=adjoint) - - ! Fill in production matrix - call build_prod_matrix(prod, adjoint=adjoint) - - ! Setup petsc for everything - call loss % assemble() - call prod % assemble() -#ifdef PETSC - call loss % setup_petsc() - call prod % setup_petsc() - call phi_n % setup_petsc() - call phi_o % setup_petsc() - call s_o % setup_petsc() - call s_n % setup_petsc() - if (cmfd_write_matrices) call loss % write_petsc_binary('loss.bin') - if (cmfd_write_matrices) call prod % write_petsc_binary('prod.bin') -#endif - - ! Set norms to 0 - norm_n = ZERO - norm_o = ZERO - - end subroutine init_data - -!=============================================================================== -! COMPUTE_ADJOINT computes a mathematical adjoint of CMFD problem -!=============================================================================== - - subroutine compute_adjoint() - - use global, only: cmfd_write_matrices - - ! Transpose matrices -#ifdef PETSC - call loss % transpose() - call prod % transpose() -#endif - - ! Write out matrix in binary file (debugging) - if (cmfd_write_matrices) then -#ifdef PETSC - call loss % write_petsc_binary('adj_lossmat.bin') - call prod % write_petsc_binary('adj_prodmat.bin') -#endif - end if - - end subroutine compute_adjoint - -!=============================================================================== -! EXECUTE_POWER_ITER is the main power iteration routine -! for the cmfd calculation -!=============================================================================== - - subroutine execute_power_iter() - - integer :: i ! iteration counter - - ! Reset convergence flag - iconv = .false. - - ! Begin power iteration - do i = 1, 10000 - - ! Compute source vector - call prod % vector_multiply(phi_o, s_o) - - ! Normalize source vector - s_o % val = s_o % val / k_o - - ! Compute new flux vector -#ifdef PETSC - call gmres % solve(s_o, phi_n) -#endif - - ! Compute new source vector - call prod % vector_multiply(phi_n, s_n) - - ! Compute new k-eigenvalue - k_n = sum(s_n % val) / sum(s_o % val) - - ! Renormalize the old source - s_o % val = s_o % val * k_o - - ! Check convergence - call convergence(i) - - ! Break loop if converged - if (iconv) exit - - ! Record old values - phi_o % val = phi_n % val - k_o = k_n - norm_o = norm_n - - end do - - end subroutine execute_power_iter - -!=============================================================================== -! CONVERGENCE checks the convergence of the CMFD problem -!=============================================================================== - - subroutine convergence(iter) - - use constants, only: ONE, ZERO - use global, only: cmfd_power_monitor, master - use, intrinsic :: ISO_FORTRAN_ENV - - integer, intent(in) :: iter ! iteration number - - ! Reset convergence flag - iconv = .false. - - ! Calculate error in keff - kerr = abs(k_o - k_n)/k_n - - ! Calculate max error in source - where (s_n % val > ZERO) - serr_v % val = ((s_n % val - s_o % val)/s_n % val)**2 - end where - serr = sqrt(ONE/dble(s_n % n) * sum(serr_v % val)) - - ! Check for convergence - if(kerr < ktol .and. serr < stol) iconv = .true. - - ! Save the L2 norm of the source - norm_n = serr - - ! Print out to user - if (cmfd_power_monitor .and. master) then - write(OUTPUT_UNIT,FMT='(I0,":",T10,"k-eff: ",F0.8,T30,"k-error: ", & - &1PE12.5,T55, "src-error: ",1PE12.5)') iter, k_n, kerr, serr - end if - - end subroutine convergence - -!=============================================================================== -! EXTRACT_RESULTS takes results and puts them in CMFD global data object -!=============================================================================== - - subroutine extract_results() - - use global, only: cmfd, cmfd_write_matrices, current_batch - - character(len=25) :: filename ! name of file to write data - integer :: n ! problem size - - ! Get problem size - n = loss % n - - ! Allocate in cmfd object if not already allocated - if (adjoint_calc) then - if (.not. allocated(cmfd%adj_phi)) allocate(cmfd%adj_phi(n)) - else - if (.not. allocated(cmfd%phi)) allocate(cmfd%phi(n)) - end if - - ! Save values - if (adjoint_calc) then - cmfd % adj_phi = phi_n % val - else - cmfd % phi = phi_n % val - end if - - ! Save eigenvalue - if(adjoint_calc) then - cmfd%adj_keff = k_n - else - cmfd%keff = k_n - end if - - ! Normalize phi to 1 - if (adjoint_calc) then - cmfd%adj_phi = cmfd%adj_phi/sqrt(sum(cmfd%adj_phi*cmfd%adj_phi)) - else - cmfd%phi = cmfd%phi/sqrt(sum(cmfd%phi*cmfd%phi)) - end if - - ! Save dominance ratio - cmfd % dom(current_batch) = norm_n/norm_o - - ! Write out results - if (cmfd_write_matrices) then - if (adjoint_calc) then - filename = 'adj_fluxvec.bin' - else - filename = 'fluxvec.bin' - end if -#ifdef PETSC - call phi_n % write_petsc_binary(filename) -#endif - end if - - end subroutine extract_results - -!=============================================================================== -! FINALIZE frees all memory associated with power iteration -!=============================================================================== - - subroutine finalize() - - ! Destroy all objects -#ifdef PETSC - call gmres % destroy() -#endif - call loss % destroy() - call prod % destroy() - call phi_n % destroy() - call phi_o % destroy() - call s_n % destroy() - call s_o % destroy() - call serr_v % destroy - - end subroutine finalize - -end module cmfd_power_solver diff --git a/src/cmfd_prod_operator.F90 b/src/cmfd_prod_operator.F90 index e6d055ced8..7779c24551 100644 --- a/src/cmfd_prod_operator.F90 +++ b/src/cmfd_prod_operator.F90 @@ -97,7 +97,7 @@ contains end if - ! loop around all other groups + ! loop around all other groups NFISS: do h = 1, ng @@ -122,7 +122,7 @@ contains end do NFISS - end do ROWS + end do ROWS ! CSR requires n+1 row call prod_matrix % new_row() diff --git a/src/cmfd_slepc_solver.F90 b/src/cmfd_slepc_solver.F90 deleted file mode 100644 index 4b5ba7d58e..0000000000 --- a/src/cmfd_slepc_solver.F90 +++ /dev/null @@ -1,214 +0,0 @@ -module cmfd_slepc_solver - -#ifdef SLEPC - use cmfd_loss_operator, only: loss_operator, init_M_operator, & - build_loss_matrix, destroy_M_operator - use cmfd_prod_operator, only: prod_operator, init_F_operator, & - build_prod_matrix, destroy_F_operator - - implicit none - -#include -#include -#include - - type(loss_operator) :: loss - type(prod_operator) :: prod - - Vec :: phi ! eigenvector - EPS :: eps ! slepc eigenvalue object - ST :: st ! slepc spectral trans object - KSP :: ksp ! linear solver object - PC :: pc ! preconditioner object - integer :: ierr ! error flag - real(8) :: keff ! the converged eigenvalue - -contains - -!=============================================================================== -! CMFD_SLEPC_EXECUTE -!=============================================================================== - - subroutine cmfd_slepc_execute() - - use global, only: time_cmfd, master - - call time_cmfd % start() - ! initialize data - call init_data() - - ! initialize solver - call init_solver() -!all timer_stop(time_cmfd) -!f(master) print *,'Init Time:',time_cmfd%elapsed -!all timer_reset(time_cmfd) -!all timer_start(time_cmfd) - ! build operators - call build_loss_matrix(loss) - call build_prod_matrix(prod) -!all timer_stop(time_cmfd) -!f(master) print *,'Build Time',time_cmfd%elapsed -!all timer_reset(time_cmfd) -!all timer_start(time_cmfd) - ! set operators to EPS object - call EPSSetOperators(eps, prod%F, loss%M, ierr) - - ! set EPS options - call EPSSetFromOptions(eps, ierr) - - ! solve the system - call EPSSolve(eps, ierr) -!all timer_stop(time_cmfd) -!f(master) print *,'Solve Time:',time_cmfd%elapsed -!all timer_reset(time_cmfd) -!all timer_start(time_cmfd) - ! extracts results to cmfd object - call extract_results() -!all timer_stop(time_cmfd) -!f(master) print *,'Extraction Time:',time_cmfd%elapsed -!all timer_reset(time_cmfd) - ! deallocate all slepc data - call finalize() - - end subroutine cmfd_slepc_execute - -!=============================================================================== -! INIT_DATA allocates matrices vectors for CMFD solution -!=============================================================================== - - subroutine init_data() - - integer :: n ! problem size - - ! set up matrices - call init_M_operator(loss) - call init_F_operator(prod) - - ! get problem size - n = loss%n - - ! set up eigenvector - call VecCreateMPI(PETSC_COMM_WORLD, PETSC_DECIDE, n, phi, ierr) - - end subroutine init_data - -!=============================================================================== -! INIT_SOLVER -!=============================================================================== - - subroutine init_solver() - - character(LEN=20) :: epstype, sttype, ksptype, pctype - - ! create EPS Object - call EPSCreate(PETSC_COMM_WORLD, eps, ierr) - call EPSSetProblemType(eps, EPS_GNHEP, ierr) - call EPSSetType(eps, EPSPOWER, ierr) - call EPSSetWhichEigenpairs(eps, EPS_LARGEST_MAGNITUDE, ierr) - - ! get ST, KSP and PC objects - call EPSGetST(eps, st, ierr) - call STGetKSP(st, ksp, ierr) - call KSPGetPC(ksp, pc, ierr) - - ! set GMRES default - call KSPSetType(ksp, KSPGMRES, ierr) - - ! set precursor type - call PCSetType(pc, PCHYPRE, ierr) - call PCSetFromOptions(pc, ierr) - - ! get all types and print - call EPSGetType(eps, epstype, ierr) - call STGetType(st, sttype, ierr) - call KSPGetType(ksp, ksptype, ierr) - call PCGetType(pc, pctype, ierr) - - ! display information to user -! write(*,'(/,A)') 'SLEPC SOLVER OPTIONS:' -! write(*,*) '---------------------' -! write(*,*) 'EPS TYPE IS: ',epstype -! write(*,*) 'ST TYPE IS: ',sttype -! write(*,*) 'KSP TYPE IS: ',ksptype -! write(*,*) 'PC TYPE IS: ',pctype - - end subroutine init_solver - -!============================================================================== -! EXTRACT_RESULTS -!============================================================================== - - subroutine extract_results() - - use constants, only: ZERO - use global, only: cmfd, path_input, master - - integer :: n ! problem size - integer :: i_eig = 0 ! eigenvalue to extract - integer :: row_start ! starting row - integer :: row_end ! ending row - real(8),allocatable :: mybuf(:) ! temp buffer -! PetscViewer :: viewer ! petsc output object - PetscScalar, pointer :: phi_v(:) ! pointer to eigenvector info - - ! get problem size - n = loss%n - - ! also allocate in cmfd object - if (.not. allocated(cmfd%phi)) allocate(cmfd%phi(n)) - if (.not. allocated(mybuf)) allocate(mybuf(n)) - - ! zero out cmfd object - cmfd%phi = ZERO - - ! extract run information - call EPSGetEigenpair(eps, i_eig, keff, PETSC_NULL_DOUBLE, phi, & - PETSC_NULL_OBJECT, ierr) - - ! get ownership range - call VecGetOwnershipRange(phi, row_start, row_end, ierr) - - ! convert petsc phi_object to cmfd_obj - call VecGetArrayF90(phi, phi_v, ierr) - cmfd%phi(row_start+1:row_end) = phi_v - call VecRestoreArrayF90(phi, phi_v, ierr) - - ! save eigenvalue - cmfd%keff = keff - - ! reduce result to master - mybuf = ZERO - call MPI_ALLREDUCE(cmfd%phi, mybuf, n, MPI_REAL8, MPI_SUM, & - PETSC_COMM_WORLD, ierr) - - ! move buffer to object and deallocate - cmfd%phi = mybuf - if(allocated(mybuf)) deallocate(mybuf) - - ! write out results -! call PetscViewerBinaryOpen(PETSC_COMM_SELF,trim(path_input)//'fluxvec.bin' & -! & ,FILE_MODE_WRITE,viewer,ierr) -! call VecView(phi,viewer,ierr) -! call PetscViewerDestroy(viewer,ierr) - - end subroutine extract_results - -!============================================================================== -! FINALIZE -!============================================================================== - - subroutine finalize() - - ! finalize data objects - call destroy_M_operator(loss) - call destroy_F_operator(prod) - call VecDestroy(phi, ierr) - - ! finalize solver objects - call EPSDestroy(eps, ierr) - - end subroutine finalize - -#endif - -end module cmfd_slepc_solver diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index e660c92470..84f0016d3d 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -33,7 +33,6 @@ module cmfd_solver type(Vector) :: serr_v ! Error in source ! CMFD linear solver interface - procedure(linsolve), pointer :: cmfd_linsolver => null() abstract interface subroutine linsolve(A, b, x, tol, i) import :: Matrix @@ -66,7 +65,7 @@ contains ! Check for physical adjoint if (adjoint_calc .and. trim(cmfd_adjoint_type) == 'physical') & - physical_adjoint = .true. + physical_adjoint = .true. ! Start timer for build call time_cmfdbuild % start() @@ -76,7 +75,7 @@ contains ! Check for mathematical adjoint calculation if (adjoint_calc .and. trim(cmfd_adjoint_type) == 'math') & - call compute_adjoint() + call compute_adjoint() ! Stop timer for build call time_cmfdbuild % stop() @@ -101,7 +100,7 @@ contains subroutine init_data(adjoint) use constants, only: ONE, ZERO - use global, only: cmfd, cmfd_shift, keff, cmfd_ktol, cmfd_stol, & + use global, only: cmfd_shift, keff, cmfd_ktol, cmfd_stol, & cmfd_write_matrices logical, intent(in) :: adjoint @@ -155,16 +154,6 @@ contains norm_n = ZERO norm_o = ZERO - ! Set up solver - select case(cmfd % indices(4)) - case(1) - cmfd_linsolver => cmfd_linsolver_1g - case(2) - cmfd_linsolver => cmfd_linsolver_2g - case default - cmfd_linsolver => cmfd_linsolver_ng - end select - ! Set tolerances ktol = cmfd_ktol stol = cmfd_stol @@ -178,23 +167,17 @@ contains subroutine compute_adjoint() use error, only: fatal_error -#ifdef PETSC use global, only: cmfd_write_matrices -#endif -#ifdef PETSC ! Transpose matrices - call loss % transpose() - call prod % transpose() + loss = loss % transpose() + prod = prod % transpose() ! Write out matrix in binary file (debugging) if (cmfd_write_matrices) then - call loss % write_petsc_binary('adj_lossmat.bin') - call prod % write_petsc_binary('adj_prodmat.bin') + call loss % write('adj_loss.dat') + call prod % write('adj_prod.dat') end if -#else - call fatal_error('Adjoint calculations only allowed with PETSc') -#endif end subroutine compute_adjoint @@ -207,7 +190,7 @@ contains use constants, only: ONE use error, only: fatal_error - use global, only: cmfd_atoli, cmfd_rtoli + use global, only: cmfd, cmfd_atoli, cmfd_rtoli integer :: i ! iteration counter integer :: innerits ! # of inner iterations @@ -245,7 +228,14 @@ contains s_o % val = s_o % val / k_lo ! Compute new flux vector - call cmfd_linsolver(loss, s_o, phi_n, toli, innerits) + select case(cmfd % indices(4)) + case(1) + call cmfd_linsolver_1g(loss, s_o, phi_n, toli, innerits) + case(2) + call cmfd_linsolver_2g(loss, s_o, phi_n, toli, innerits) + case default + call cmfd_linsolver_ng(loss, s_o, phi_n, toli, innerits) + end select ! Compute new source vector call prod % vector_multiply(phi_n, s_n) @@ -296,7 +286,7 @@ contains ROWS: do irow = 1, loss % n COLS: do icol = loss % get_row(irow), loss % get_row(irow + 1) - 1 if (loss % get_col(icol) == prod % get_col(jcol) .and. & - jcol < prod % get_row(irow + 1)) then + jcol < prod % get_row(irow + 1)) then loss % val(icol) = loss % val(icol) - ONE/k_s*prod % val(jcol) jcol = jcol + 1 end if @@ -743,13 +733,11 @@ contains ! Write out results if (cmfd_write_matrices) then if (adjoint_calc) then - filename = 'adj_fluxvec.bin' + filename = 'adj_fluxvec.dat' else - filename = 'fluxvec.bin' + filename = 'fluxvec.dat' end if -#ifdef PETSC - call phi_n % write_petsc_binary(filename) -#endif + ! TODO: call phi_n % write(filename) end if end subroutine extract_results diff --git a/src/constants.F90 b/src/constants.F90 index 84b289f839..3aaf08f0eb 100644 --- a/src/constants.F90 +++ b/src/constants.F90 @@ -7,8 +7,8 @@ module constants ! OpenMC major, minor, and release numbers integer, parameter :: VERSION_MAJOR = 0 - integer, parameter :: VERSION_MINOR = 6 - integer, parameter :: VERSION_RELEASE = 2 + integer, parameter :: VERSION_MINOR = 7 + integer, parameter :: VERSION_RELEASE = 0 ! Revision numbers for binary files integer, parameter :: REVISION_STATEPOINT = 13 @@ -27,7 +27,7 @@ module constants ! adjusted. Modifying constants in other sections may cause the code to fail. ! Monoatomic ideal-gas scattering treatment threshold - real(8), parameter :: FREE_GAS_THRESHOLD = 400.0 + real(8), parameter :: FREE_GAS_THRESHOLD = 400.0_8 ! Significance level for confidence intervals real(8), parameter :: CONFIDENCE_LEVEL = 0.95_8 @@ -63,15 +63,18 @@ module constants real(8), parameter :: & PI = 3.1415926535898_8, & ! pi - MASS_NEUTRON = 1.008664916, & ! mass of a neutron in amu - MASS_PROTON = 1.007276466812, & ! mass of a proton in amu - AMU = 1.660538921e-27, & ! 1 amu in kg - N_AVOGADRO = 0.602214129, & ! Avogadro's number in 10^24/mol - K_BOLTZMANN = 8.6173324e-11, & ! Boltzmann constant in MeV/K + MASS_NEUTRON = 1.008664916_8, & ! mass of a neutron in amu + MASS_PROTON = 1.007276466812_8, & ! mass of a proton in amu + AMU = 1.660538921e-27_8, & ! 1 amu in kg + N_AVOGADRO = 0.602214129_8, & ! Avogadro's number in 10^24/mol + K_BOLTZMANN = 8.6173324e-11_8, & ! Boltzmann constant in MeV/K INFINITY = huge(0.0_8), & ! positive infinity ZERO = 0.0_8, & + HALF = 0.5_8, & ONE = 1.0_8, & - TWO = 2.0_8 + TWO = 2.0_8, & + THREE = 3.0_8, & + FOUR = 4.0_8 ! ============================================================================ ! GEOMETRY-RELATED CONSTANTS @@ -127,6 +130,9 @@ module constants SURF_CONE_Y = 10, & ! Cone parallel to y-axis SURF_CONE_Z = 11 ! Cone parallel to z-axis + ! Flag to say that the outside of a lattice is not defined + integer, parameter :: NO_OUTER_UNIVERSE = -22 + ! Maximum number of lost particles integer, parameter :: MAX_LOST_PARTICLES = 10 @@ -294,16 +300,17 @@ module constants integer, parameter :: NO_BIN_FOUND = -1 ! Tally filter and map types - integer, parameter :: N_FILTER_TYPES = 8 + integer, parameter :: N_FILTER_TYPES = 9 integer, parameter :: & - FILTER_UNIVERSE = 1, & - FILTER_MATERIAL = 2, & - FILTER_CELL = 3, & - FILTER_CELLBORN = 4, & - FILTER_SURFACE = 5, & - FILTER_MESH = 6, & - FILTER_ENERGYIN = 7, & - FILTER_ENERGYOUT = 8 + FILTER_UNIVERSE = 1, & + FILTER_MATERIAL = 2, & + FILTER_CELL = 3, & + FILTER_CELLBORN = 4, & + FILTER_SURFACE = 5, & + FILTER_MESH = 6, & + FILTER_ENERGYIN = 7, & + FILTER_ENERGYOUT = 8, & + FILTER_DISTRIBCELL = 9 ! Tally surface current directions integer, parameter :: & @@ -314,6 +321,12 @@ module constants IN_TOP = 5, & OUT_TOP = 6 + ! Tally trigger types and threshold + integer, parameter :: & + VARIANCE = 1, & + RELATIVE_ERROR = 2, & + STANDARD_DEVIATION = 3 + ! Global tallY parameters integer, parameter :: N_GLOBAL_TALLIES = 4 integer, parameter :: & @@ -365,8 +378,9 @@ module constants ! Energy grid methods integer, parameter :: & - GRID_NUCLIDE = 1, & ! non-unionized energy grid - GRID_LOGARITHM = 2 ! logarithmic mapping + GRID_NUCLIDE = 1, & ! unique energy grid for each nuclide + GRID_MAT_UNION = 2, & ! material union grids with pointers + GRID_LOGARITHM = 3 ! lethargy mapping ! Running modes integer, parameter :: & diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 1672405e8d..b937b03a15 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -15,6 +15,9 @@ module cross_section implicit none save + integer :: union_grid_index +!$omp threadprivate(union_grid_index) + contains !=============================================================================== @@ -32,15 +35,14 @@ contains integer :: j ! index in mat % i_sab_nuclides real(8) :: atom_density ! atom density of a nuclide logical :: check_sab ! should we check for S(a,b) table? - type(Material), pointer, save :: mat => null() ! current material -!$omp threadprivate(mat) + type(Material), pointer :: mat ! current material ! Set all material macroscopic cross sections to zero - material_xs % total = ZERO - material_xs % elastic = ZERO - material_xs % absorption = ZERO - material_xs % fission = ZERO - material_xs % nu_fission = ZERO + material_xs % total = ZERO + material_xs % elastic = ZERO + material_xs % absorption = ZERO + material_xs % fission = ZERO + material_xs % nu_fission = ZERO material_xs % kappa_fission = ZERO ! Exit subroutine if material is void @@ -48,6 +50,10 @@ contains mat => materials(p % material) + ! Find energy index on global or material unionized grid + if (grid_method == GRID_MAT_UNION) & + call find_energy_index(p % E, p % material) + ! Determine if this material has S(a,b) tables check_sab = (mat % n_sab > 0) @@ -88,9 +94,9 @@ contains ! Calculate microscopic cross section for this nuclide if (p % E /= micro_xs(i_nuclide) % last_E) then - call calculate_nuclide_xs(i_nuclide, i_sab, p % E) + call calculate_nuclide_xs(i_nuclide, i_sab, p % E, p % material, i) else if (i_sab /= micro_xs(i_nuclide) % last_index_sab) then - call calculate_nuclide_xs(i_nuclide, i_sab, p % E) + call calculate_nuclide_xs(i_nuclide, i_sab, p % E, p % material, i) end if ! ======================================================================== @@ -131,24 +137,31 @@ contains ! given index in the nuclides array at the energy of the given particle !=============================================================================== - subroutine calculate_nuclide_xs(i_nuclide, i_sab, E) + subroutine calculate_nuclide_xs(i_nuclide, i_sab, E, i_mat, i_nuc_mat) integer, intent(in) :: i_nuclide ! index into nuclides array integer, intent(in) :: i_sab ! index into sab_tables array - real(8), intent(in) :: E ! energy - - integer :: i_grid ! index on nuclide energy grid - integer :: i_low, i_high ! bounding indices from logarithmic mapping - integer :: u ! index into logarithmic mapping array + integer, intent(in) :: i_mat ! index into materials array + integer, intent(in) :: i_nuc_mat ! index into nuclides array for a material + integer :: i_grid ! index on nuclide energy grid + integer :: i_low ! lower logarithmic mapping index + integer :: i_high ! upper logarithmic mapping index + integer :: u ! index into logarithmic mapping array + real(8), intent(in) :: E ! energy real(8) :: f ! interp factor on nuclide energy grid - type(Nuclide), pointer, save :: nuc => null() -!$omp threadprivate(nuc) + type(Nuclide), pointer :: nuc + type(Material), pointer :: mat - ! Set pointer to nuclide + ! Set pointer to nuclide and material nuc => nuclides(i_nuclide) + mat => materials(i_mat) ! Determine index on nuclide energy grid select case (grid_method) + case (GRID_MAT_UNION) + + i_grid = mat % nuclide_grid_index(i_nuc_mat, union_grid_index) + case (GRID_LOGARITHM) ! Determine the energy grid index using a logarithmic mapping to reduce ! the energy range over which a binary search needs to be performed @@ -173,7 +186,7 @@ contains ! Perform binary search on the nuclide energy grid in order to determine ! which points to interpolate between - if (E < nuc % energy(1)) then + if (E <= nuc % energy(1)) then i_grid = 1 elseif (E > nuc % energy(nuc % n_grid)) then i_grid = nuc % n_grid - 1 @@ -271,8 +284,7 @@ contains real(8) :: f ! interp factor on S(a,b) energy grid real(8) :: inelastic ! S(a,b) inelastic cross section real(8) :: elastic ! S(a,b) elastic cross section - type(SAlphaBeta), pointer, save :: sab => null() -!$omp threadprivate(sab) + type(SAlphaBeta), pointer :: sab ! Set flag that S(a,b) treatment should be used for scattering micro_xs(i_nuclide) % index_sab = i_sab @@ -364,10 +376,9 @@ contains real(8) :: fission ! fission cross section real(8) :: inelastic ! inelastic cross section logical :: same_nuc ! do we know the xs for this nuclide at this energy? - type(UrrData), pointer, save :: urr => null() - type(Nuclide), pointer, save :: nuc => null() - type(Reaction), pointer, save :: rxn => null() -!$omp threadprivate(urr, nuc, rxn) + type(UrrData), pointer :: urr + type(Nuclide), pointer :: nuc + type(Reaction), pointer :: rxn micro_xs(i_nuclide) % use_ptable = .true. @@ -435,7 +446,7 @@ contains ! Calculate elastic cross section/factor elastic = ZERO if (urr % prob(i_energy, URR_ELASTIC, i_low) > ZERO .and. & - urr % prob(i_energy + 1, URR_ELASTIC, i_up) > ZERO) then + urr % prob(i_energy + 1, URR_ELASTIC, i_up) > ZERO) then elastic = exp((ONE - f) * log(urr % prob(i_energy, URR_ELASTIC, & i_low)) + f * log(urr % prob(i_energy + 1, URR_ELASTIC, & i_up))) @@ -444,7 +455,7 @@ contains ! Calculate fission cross section/factor fission = ZERO if (urr % prob(i_energy, URR_FISSION, i_low) > ZERO .and. & - urr % prob(i_energy + 1, URR_FISSION, i_up) > ZERO) then + urr % prob(i_energy + 1, URR_FISSION, i_up) > ZERO) then fission = exp((ONE - f) * log(urr % prob(i_energy, URR_FISSION, & i_low)) + f * log(urr % prob(i_energy + 1, URR_FISSION, & i_up))) @@ -453,7 +464,7 @@ contains ! Calculate capture cross section/factor capture = ZERO if (urr % prob(i_energy, URR_N_GAMMA, i_low) > ZERO .and. & - urr % prob(i_energy + 1, URR_N_GAMMA, i_up) > ZERO) then + urr % prob(i_energy + 1, URR_N_GAMMA, i_up) > ZERO) then capture = exp((ONE - f) * log(urr % prob(i_energy, URR_N_GAMMA, & i_low)) + f * log(urr % prob(i_energy + 1, URR_N_GAMMA, & i_up))) @@ -506,6 +517,31 @@ contains end subroutine calculate_urr_xs +!=============================================================================== +! FIND_ENERGY_INDEX determines the index on the union energy grid at a certain +! energy +!=============================================================================== + + subroutine find_energy_index(E, i_mat) + + real(8), intent(in) :: E ! energy of particle + integer, intent(in) :: i_mat ! material index + type(Material), pointer :: mat ! pointer to current material + + mat => materials(i_mat) + + ! if the energy is outside of energy grid range, set to first or last + ! index. Otherwise, do a binary search through the union energy grid. + if (E <= mat % e_grid(1)) then + union_grid_index = 1 + elseif (E > mat % e_grid(mat % n_grid)) then + union_grid_index = mat % n_grid - 1 + else + union_grid_index = binary_search(mat % e_grid, mat % n_grid, E) + end if + + end subroutine find_energy_index + !=============================================================================== ! 0K_ELASTIC_XS determines the microscopic 0K elastic cross section ! for a given nuclide at the trial relative energy used in resonance scattering @@ -535,11 +571,11 @@ contains ! calculate interpolation factor f = (E - nuc % energy_0K(i_grid)) & - & / (nuc % energy_0K(i_grid + 1) - nuc % energy_0K(i_grid)) + & / (nuc % energy_0K(i_grid + 1) - nuc % energy_0K(i_grid)) ! Calculate microscopic nuclide elastic cross section xs_out = (ONE - f) * nuc % elastic_0K(i_grid) & - & + f * nuc % elastic_0K(i_grid + 1) + & + f * nuc % elastic_0K(i_grid + 1) end function elastic_xs_0K diff --git a/src/dict_header.F90 b/src/dict_header.F90 index 7da2015fd3..ffe488d525 100644 --- a/src/dict_header.F90 +++ b/src/dict_header.F90 @@ -56,7 +56,7 @@ module dict_header !=============================================================================== ! DICT* is a dictionary of (key,value) pairs with convenience methods as ! type-bound procedures. DictCharInt has character(*) keys and integer values, -! and DictIntInt has integer keys and values. +! and DictIntInt has integer keys and values. !=============================================================================== type, public :: DictCharInt @@ -105,7 +105,7 @@ contains if (associated(elem)) then elem % value = value else - ! Get hash + ! Get hash hash = dict_hash_key_ci(key) ! Create new element @@ -135,7 +135,7 @@ contains if (associated(elem)) then elem % value = value else - ! Get hash + ! Get hash hash = dict_hash_key_ii(key) ! Create new element @@ -156,13 +156,13 @@ contains !=============================================================================== function dict_get_elem_ci(this, key) result(elem) - + class(DictCharInt) :: this character(*), intent(in) :: key type(ElemKeyValueCI), pointer :: elem integer :: hash - + ! Check for dictionary not being allocated if (.not. associated(this % table)) then allocate(this % table(HASH_SIZE)) @@ -178,13 +178,13 @@ contains end function dict_get_elem_ci function dict_get_elem_ii(this, key) result(elem) - + class(DictIntInt) :: this integer, intent(in) :: key type(ElemKeyValueII), pointer :: elem integer :: hash - + ! Check for dictionary not being allocated if (.not. associated(this % table)) then allocate(this % table(HASH_SIZE)) @@ -279,7 +279,7 @@ contains character(*), intent(in) :: key integer :: val - + integer :: i val = 0 @@ -298,7 +298,7 @@ contains integer, intent(in) :: key integer :: val - + val = 0 ! Added the absolute val on val-1 since the sum in the do loop is @@ -420,7 +420,7 @@ contains integer :: i type(ElemKeyValueII), pointer :: current type(ElemKeyValueII), pointer :: next - + if (associated(this % table)) then do i = 1, size(this % table) current => this % table(i) % list @@ -440,5 +440,5 @@ contains end if end subroutine dict_clear_ii - + end module dict_header diff --git a/src/doppler.F90 b/src/doppler.F90 index e888eb2b18..85ab6da3c0 100644 --- a/src/doppler.F90 +++ b/src/doppler.F90 @@ -52,62 +52,115 @@ contains ! Loop over incoming neutron energies ENERGY_NEUTRON: do i = 1, n - sigma = ZERO - y = x(i) - y_sq = y*y - y_inv = ONE / y - y_inv_sq = y_inv / y + sigma = ZERO + y = x(i) + y_sq = y*y + y_inv = ONE / y + y_inv_sq = y_inv / y - ! ======================================================================= - ! EVALUATE FIRST TERM FROM x(k) - y = 0 to -4 + ! ======================================================================= + ! EVALUATE FIRST TERM FROM x(k) - y = 0 to -4 - k = i - a = ZERO - call calculate_F(F_a, a) + k = i + a = ZERO + call calculate_F(F_a, a) - do while (a >= -4.0 .and. k > 1) - ! Move to next point - F_b = F_a - k = k - 1 - a = x(k) - y + do while (a >= -4.0 .and. k > 1) + ! Move to next point + F_b = F_a + k = k - 1 + a = x(k) - y - ! Calculate F and H functions - call calculate_F(F_a, a) - H = F_a - F_b + ! Calculate F and H functions + call calculate_F(F_a, a) + H = F_a - F_b - ! Calculate A(k), B(k), and slope terms - Ak = y_inv_sq*H(2) + 2.0*y_inv*H(1) + H(0) - Bk = y_inv_sq*H(4) + 4.0*y_inv*H(3) + 6.0*H(2) + 4.0*y*H(1) + y_sq*H(0) - slope = (xs(k+1) - xs(k)) / (x(k+1)**2 - x(k)**2) + ! Calculate A(k), B(k), and slope terms + Ak = y_inv_sq*H(2) + 2.0*y_inv*H(1) + H(0) + Bk = y_inv_sq*H(4) + 4.0*y_inv*H(3) + 6.0*H(2) + 4.0*y*H(1) + y_sq*H(0) + slope = (xs(k+1) - xs(k)) / (x(k+1)**2 - x(k)**2) - ! Add contribution to broadened cross section - sigma = sigma + Ak*(xs(k) - slope*x(k)**2) + slope*Bk - end do + ! Add contribution to broadened cross section + sigma = sigma + Ak*(xs(k) - slope*x(k)**2) + slope*Bk + end do - ! ======================================================================= - ! EXTEND CROSS SECTION TO 0 ASSUMING 1/V SHAPE + ! ======================================================================= + ! EXTEND CROSS SECTION TO 0 ASSUMING 1/V SHAPE - if (k == 1 .and. a >= -4.0) then - ! Since x = 0, this implies that a = -y - F_b = F_a - a = -y + if (k == 1 .and. a >= -4.0) then + ! Since x = 0, this implies that a = -y + F_b = F_a + a = -y - ! Calculate F and H functions - call calculate_F(F_a, a) - H = F_a - F_b + ! Calculate F and H functions + call calculate_F(F_a, a) + H = F_a - F_b - ! Add contribution to broadened cross section - sigma = sigma + xs(k)*x(k)*(y_inv_sq*H(1) + y_inv*H(0)) - end if + ! Add contribution to broadened cross section + sigma = sigma + xs(k)*x(k)*(y_inv_sq*H(1) + y_inv*H(0)) + end if - ! ======================================================================= - ! EVALUATE FIRST TERM FROM x(k) - y = 0 to 4 + ! ======================================================================= + ! EVALUATE FIRST TERM FROM x(k) - y = 0 to 4 - k = i - b = ZERO - call calculate_F(F_b, b) + k = i + b = ZERO + call calculate_F(F_b, b) - do while (b <= 4.0 .and. k < n) + do while (b <= 4.0 .and. k < n) + ! Move to next point + F_a = F_b + k = k + 1 + b = x(k) - y + + ! Calculate F and H functions + call calculate_F(F_b, b) + H = F_a - F_b + + ! Calculate A(k), B(k), and slope terms + Ak = y_inv_sq*H(2) + 2.0*y_inv*H(1) + H(0) + Bk = y_inv_sq*H(4) + 4.0*y_inv*H(3) + 6.0*H(2) + 4.0*y*H(1) + y_sq*H(0) + slope = (xs(k) - xs(k-1)) / (x(k)**2 - x(k-1)**2) + + ! Add contribution to broadened cross section + sigma = sigma + Ak*(xs(k) - slope*x(k)**2) + slope*Bk + end do + + ! ======================================================================= + ! EXTEND CROSS SECTION TO INFINITY ASSUMING CONSTANT SHAPE + + if (k == n .and. b <= 4.0) then + ! Calculate F function at last energy point + a = x(k) - y + call calculate_F(F_a, a) + + ! Add contribution to broadened cross section + sigma = sigma + xs(k) * (y_inv_sq*F_a(2) + 2.0*y_inv*F_a(1) + F_a(0)) + end if + + ! ======================================================================= + ! EVALUATE SECOND TERM FROM x(k) + y = 0 to +4 + + if (y <= 4.0) then + ! Swap signs on y + y = -y + y_inv = -y_inv + k = 1 + + ! Calculate a and b based on 0 and x(1) + a = -y + b = x(k) - y + + ! Calculate F and H functions + call calculate_F(F_a, a) + call calculate_F(F_b, b) + H = F_a - F_b + + ! Add contribution to broadened cross section + sigma = sigma - xs(k) * x(k) * (y_inv_sq*H(1) + y_inv*H(0)) + + ! Now progress forward doing the remainder of the second term + do while (b <= 4.0) ! Move to next point F_a = F_b k = k + 1 @@ -119,69 +172,17 @@ contains ! Calculate A(k), B(k), and slope terms Ak = y_inv_sq*H(2) + 2.0*y_inv*H(1) + H(0) - Bk = y_inv_sq*H(4) + 4.0*y_inv*H(3) + 6.0*H(2) + 4.0*y*H(1) + y_sq*H(0) + Bk = y_inv_sq*H(4) + 4.0*y_inv*H(3) + 6.0*H(2) + 4.0*y*H(1) & + + y_sq*H(0) slope = (xs(k) - xs(k-1)) / (x(k)**2 - x(k-1)**2) ! Add contribution to broadened cross section - sigma = sigma + Ak*(xs(k) - slope*x(k)**2) + slope*Bk - end do + sigma = sigma - Ak*(xs(k) - slope*x(k)**2) - slope*Bk + end do + end if - ! ======================================================================= - ! EXTEND CROSS SECTION TO INFINITY ASSUMING CONSTANT SHAPE - - if (k == n .and. b <= 4.0) then - ! Calculate F function at last energy point - a = x(k) - y - call calculate_F(F_a, a) - - ! Add contribution to broadened cross section - sigma = sigma + xs(k) * (y_inv_sq*F_a(2) + 2.0*y_inv*F_a(1) + F_a(0)) - end if - - ! ======================================================================= - ! EVALUATE SECOND TERM FROM x(k) + y = 0 to +4 - - if (y <= 4.0) then - ! Swap signs on y - y = -y - y_inv = -y_inv - k = 1 - - ! Calculate a and b based on 0 and x(1) - a = -y - b = x(k) - y - - ! Calculate F and H functions - call calculate_F(F_a, a) - call calculate_F(F_b, b) - H = F_a - F_b - - ! Add contribution to broadened cross section - sigma = sigma - xs(k) * x(k) * (y_inv_sq*H(1) + y_inv*H(0)) - - ! Now progress forward doing the remainder of the second term - do while (b <= 4.0) - ! Move to next point - F_a = F_b - k = k + 1 - b = x(k) - y - - ! Calculate F and H functions - call calculate_F(F_b, b) - H = F_a - F_b - - ! Calculate A(k), B(k), and slope terms - Ak = y_inv_sq*H(2) + 2.0*y_inv*H(1) + H(0) - Bk = y_inv_sq*H(4) + 4.0*y_inv*H(3) + 6.0*H(2) + 4.0*y*H(1) + y_sq*H(0) - slope = (xs(k) - xs(k-1)) / (x(k)**2 - x(k-1)**2) - - ! Add contribution to broadened cross section - sigma = sigma - Ak*(xs(k) - slope*x(k)**2) - slope*Bk - end do - end if - - ! Set broadened cross section - sigmaNew(i) = sigma + ! Set broadened cross section + sigmaNew(i) = sigma end do ENERGY_NEUTRON diff --git a/src/eigenvalue.F90 b/src/eigenvalue.F90 index 860e2271fb..c4b9b9a678 100644 --- a/src/eigenvalue.F90 +++ b/src/eigenvalue.F90 @@ -1,7 +1,7 @@ module eigenvalue #ifdef MPI - use mpi + use message_passing #endif use cmfd_execute, only: cmfd_init_batch, execute_cmfd @@ -21,6 +21,7 @@ module eigenvalue use string, only: to_str use tally, only: synchronize_tallies, setup_active_usertallies, & reset_result + use trigger, only: check_triggers use tracking, only: transport implicit none @@ -53,7 +54,7 @@ contains ! ========================================================================== ! LOOP OVER BATCHES - BATCH_LOOP: do current_batch = 1, n_batches + BATCH_LOOP: do current_batch = 1, n_max_batches call initialize_batch() @@ -96,6 +97,8 @@ contains call finalize_batch() + if (satisfy_triggers) exit BATCH_LOOP + end do BATCH_LOOP call time_active % stop() @@ -168,6 +171,26 @@ contains subroutine finalize_generation() + ! Update global tallies with the omp private accumulation variables +!$omp parallel +!$omp critical + global_tallies(K_TRACKLENGTH) % value = & + global_tallies(K_TRACKLENGTH) % value + global_tally_tracklength + global_tallies(K_COLLISION) % value = & + global_tallies(K_COLLISION) % value + global_tally_collision + global_tallies(LEAKAGE) % value = & + global_tallies(LEAKAGE) % value + global_tally_leakage + global_tallies(K_ABSORPTION) % value = & + global_tallies(K_ABSORPTION) % value + global_tally_absorption +!$omp end critical + + ! reset private tallies + global_tally_tracklength = ZERO + global_tally_collision = ZERO + global_tally_leakage = ZERO + global_tally_absorption = ZERO +!$omp end parallel + #ifdef _OPENMP ! Join the fission bank from each thread into one global fission bank call join_bank_from_threads() @@ -215,22 +238,32 @@ contains ! Display output if (master) call print_batch_keff() + ! Calculate combined estimate of k-effective + if (master) call calculate_combined_keff() + + ! Check_triggers + if (master) call check_triggers() +#ifdef MPI + call MPI_BCAST(satisfy_triggers, 1, MPI_LOGICAL, 0, & + MPI_COMM_WORLD, mpi_err) +#endif + if (satisfy_triggers .or. & + (trigger_on .and. current_batch == n_max_batches)) then + call statepoint_batch % add(current_batch) + end if + ! Write out state point if it's been specified for this batch if (statepoint_batch % contains(current_batch)) then - ! Calculate combined estimate of k-effective - if (master) call calculate_combined_keff() - - ! Create state point file call write_state_point() end if ! Write out source point if it's been specified for this batch if ((sourcepoint_batch % contains(current_batch) .or. source_latest) .and. & - source_write) then + source_write) then call write_source_point() end if - if (master .and. current_batch == n_batches) then + if (master .and. current_batch == n_max_batches) then ! Make sure combined estimate of k-effective is calculated at the last ! batch in case no state point is written call calculate_combined_keff() @@ -260,7 +293,11 @@ contains #ifdef MPI integer(8) :: n ! number of sites to send/recv integer :: neighbor ! processor to send/recv data from +#ifdef MPIF08 + type(MPI_Request) :: request(20) +#else integer :: request(20) ! communication request for send/recving sites +#endif integer :: n_request ! number of communication requests integer(8) :: index_local ! index in local source bank integer(8), save, allocatable :: & @@ -491,7 +528,7 @@ contains call MPI_WAITALL(n_request, request, MPI_STATUSES_IGNORE, mpi_err) ! Deallocate space for bank_position on the very last generation - if (current_batch == n_batches .and. current_gen == gen_per_batch) & + if (current_batch == n_max_batches .and. current_gen == gen_per_batch) & deallocate(bank_position) #else source_bank = temp_sites(1:n_particles) @@ -500,7 +537,7 @@ contains call time_bank_sendrecv % stop() ! Deallocate space for the temporary source bank on the last generation - if (current_batch == n_batches .and. current_gen == gen_per_batch) & + if (current_batch == n_max_batches .and. current_gen == gen_per_batch) & deallocate(temp_sites) end subroutine synchronize_bank @@ -531,7 +568,7 @@ contains ! If the user did not specify how many mesh cells are to be used in ! each direction, we automatically determine an appropriate number of ! cells - n = ceiling((n_particles/20)**(1.0/3.0)) + n = ceiling((n_particles/20)**(ONE/THREE)) ! copy dimensions m % n_dimension = 3 @@ -843,8 +880,8 @@ contains !$omp do ordered schedule(static) do i = 1, n_threads !$omp ordered - master_fission_bank(total+1:total+n_bank) = fission_bank(1:n_bank) - total = total + n_bank + master_fission_bank(total+1:total+n_bank) = fission_bank(1:n_bank) + total = total + n_bank !$omp end ordered end do !$omp end do @@ -854,10 +891,10 @@ contains ! Now copy the shared fission bank sites back to the master thread's copy. if (thread_id == 0) then - n_bank = total - fission_bank(1:n_bank) = master_fission_bank(1:n_bank) + n_bank = total + fission_bank(1:n_bank) = master_fission_bank(1:n_bank) else - n_bank = 0 + n_bank = 0 end if !$omp end parallel diff --git a/src/endf_header.F90 b/src/endf_header.F90 index a2e8b10de4..54af0f7383 100644 --- a/src/endf_header.F90 +++ b/src/endf_header.F90 @@ -3,7 +3,7 @@ module endf_header implicit none !=============================================================================== -! TAB1 represents a one-dimensional interpolable function +! TAB1 represents a one-dimensional interpolable function !=============================================================================== type Tab1 @@ -13,28 +13,28 @@ module endf_header integer :: n_pairs ! # of pairs of (x,y) values real(8), allocatable :: x(:) ! values of abscissa real(8), allocatable :: y(:) ! values of ordinate - + ! Type-Bound procedures contains procedure :: clear => tab1_clear ! deallocates a Tab1 Object. end type Tab1 - + contains - + !=============================================================================== ! TAB1_CLEAR deallocates the items in Tab1 !=============================================================================== subroutine tab1_clear(this) - + class(Tab1), intent(inout) :: this ! The Tab1 to clear - + if (allocated(this % nbt)) & deallocate(this % nbt, this % int) - + if (allocated(this % x)) & deallocate(this % x, this % y) - + end subroutine tab1_clear end module endf_header diff --git a/src/energy_grid.F90 b/src/energy_grid.F90 index 234a856c1e..1473e52105 100644 --- a/src/energy_grid.F90 +++ b/src/energy_grid.F90 @@ -1,6 +1,9 @@ module energy_grid use global + use list_header, only: ListReal + use output, only: write_message + implicit none @@ -10,6 +13,51 @@ module energy_grid contains +!=============================================================================== +! UNIONIZED_GRID creates a unionized energy grid, for the entire problem or for +! each material, composed of the grids from each nuclide in the entire problem, +! or each material, respectively. Right now, the grid for each nuclide is added +! into a linked list one at a time with an effective insertion sort. Could be +! done with a hash for all energy points and then a quicksort at the end (what +! hash function to use?) +!=============================================================================== + + subroutine unionized_grid() + + integer :: i ! index in nuclides array + integer :: j ! index in materials array + type(ListReal) :: list + type(Nuclide), pointer :: nuc + type(Material), pointer :: mat + + call write_message("Creating unionized energy grid...", 5) + + ! add grid points for each nuclide in the material + do j = 1, n_materials + mat => materials(j) + do i = 1, mat % n_nuclides + nuc => nuclides(mat % nuclide(i)) + call add_grid_points(list, nuc % energy) + end do + + ! set size of unionized material energy grid + mat % n_grid = list % size() + + ! create allocated array from linked list + allocate(mat % e_grid(mat % n_grid)) + do i = 1, mat % n_grid + mat % e_grid(i) = list % get_item(i) + end do + + ! delete linked list and dictionary + call list % clear() + end do + + ! Set pointers to unionized energy grid for each nuclide + call grid_pointers() + + end subroutine unionized_grid + !=============================================================================== ! LOGARITHMIC_GRID determines a logarithmic mapping for energies to bounding ! indices on a nuclide energy grid @@ -22,7 +70,7 @@ contains real(8) :: E_max ! Maximum energy in MeV real(8) :: E_min ! Minimum energy in MeV real(8), allocatable :: umesh(:) ! Equally log-spaced energy grid - type(Nuclide), pointer :: nuc => null() + type(Nuclide), pointer :: nuc ! Set minimum/maximum energies E_max = 20.0_8 @@ -44,19 +92,116 @@ contains ! Determine corresponding indices in nuclide grid to energies on ! equal-logarithmic grid j = 1 - do k = 0, M - 1 + do k = 0, M do while (log(nuc%energy(j + 1)/E_min) <= umesh(k)) + ! Ensure that for isotopes where maxval(nuc % energy) << E_max + ! that there are no out-of-bounds issues. + if (j + 1 == nuc % n_grid) then + exit + end if j = j + 1 end do nuc % grid_index(k) = j end do - - ! Set the last point explicitly so that we don't have out-of-bounds issues - nuc % grid_index(M) = size(nuc % energy) - 1 end do deallocate(umesh) end subroutine logarithmic_grid +!=============================================================================== +! ADD_GRID_POINTS adds energy points from the 'energy' array into a linked list +! of points already stored from previous arrays. +!=============================================================================== + + subroutine add_grid_points(list, energy) + + type(ListReal) :: list + real(8), intent(in) :: energy(:) + + integer :: i ! index in energy array + integer :: n ! size of energy array + integer :: current ! current index + real(8) :: E ! actual energy value + + i = 1 + n = size(energy) + + ! Set current index to beginning of the list + current = 1 + + do while (i <= n) + E = energy(i) + + ! If we've reached the end of the grid energy list, add the remaining + ! energy points to the end + if (current > list % size()) then + ! Finish remaining energies + do while (i <= n) + call list % append(energy(i)) + i = i + 1 + end do + exit + end if + + if (E < list % get_item(current)) then + + ! Insert new energy in this position + call list % insert(current, E) + + ! Advance index in linked list and in new energy grid + i = i + 1 + current = current + 1 + + elseif (E == list % get_item(current)) then + ! Found the exact same energy, no need to store duplicates so just + ! skip and move to next index + i = i + 1 + current = current + 1 + else + current = current + 1 + end if + + end do + + end subroutine add_grid_points + +!=============================================================================== +! GRID_POINTERS creates an array of pointers (ints) for each nuclide to link +! each point on the nuclide energy grid to one on a unionized energy grid +!=============================================================================== + + subroutine grid_pointers() + + integer :: i ! loop index for nuclides + integer :: j ! loop index for nuclide energy grid + integer :: k ! loop index for materials + integer :: index_e ! index on union energy grid + real(8) :: union_energy ! energy on union grid + real(8) :: energy ! energy on nuclide grid + type(Nuclide), pointer :: nuc + type(Material), pointer :: mat + + do k = 1, n_materials + mat => materials(k) + allocate(mat % nuclide_grid_index(mat % n_nuclides, mat % n_grid)) + do i = 1, mat % n_nuclides + nuc => nuclides(mat % nuclide(i)) + + index_e = 1 + energy = nuc % energy(index_e) + + do j = 1, mat % n_grid + union_energy = mat % e_grid(j) + if (union_energy >= energy .and. index_e < nuc % n_grid) then + index_e = index_e + 1 + energy = nuc % energy(index_e) + end if + mat % nuclide_grid_index(i,j) = index_e - 1 + end do + end do + end do + + end subroutine grid_pointers + end module energy_grid diff --git a/src/error.F90 b/src/error.F90 index 77f663108f..ecd7eb4530 100644 --- a/src/error.F90 +++ b/src/error.F90 @@ -6,7 +6,7 @@ module error use global #ifdef MPI - use mpi + use message_passing #endif implicit none @@ -155,7 +155,7 @@ contains #ifdef NO_F2008 stop #else - error stop + error stop #endif end subroutine fatal_error diff --git a/src/finalize.F90 b/src/finalize.F90 index 4e074725d1..aa11f47690 100644 --- a/src/finalize.F90 +++ b/src/finalize.F90 @@ -6,7 +6,7 @@ module finalize use tally, only: tally_statistics #ifdef MPI - use mpi + use message_passing #endif #ifdef HDF5 @@ -38,14 +38,6 @@ contains if (check_overlaps) call reduce_overlap_count() end if -#ifdef PETSC - ! Finalize PETSc - if (cmfd_run) then - call PetscFinalize(mpi_err) - call MPI_COMM_FREE(cmfd_comm, mpi_err) - end if -#endif - ! Stop timers and show timing statistics call time_finalize % stop() call time_total % stop() diff --git a/src/fixed_source.F90 b/src/fixed_source.F90 index 4e7d9642f4..9dbd57324f 100644 --- a/src/fixed_source.F90 +++ b/src/fixed_source.F90 @@ -1,5 +1,9 @@ module fixed_source +#ifdef MPI + use message_passing +#endif + use constants, only: ZERO, MAX_LINE_LEN use global use output, only: write_message, header @@ -9,6 +13,7 @@ module fixed_source use state_point, only: write_state_point use string, only: to_str use tally, only: synchronize_tallies, setup_active_usertallies + use trigger, only: check_triggers use tracking, only: transport implicit none @@ -36,7 +41,7 @@ contains ! ========================================================================== ! LOOP OVER BATCHES - BATCH_LOOP: do current_batch = 1, n_batches + BATCH_LOOP: do current_batch = 1, n_max_batches ! In a restart run, skip any batches that have already been simulated if (restart_run .and. current_batch <= restart_batch) then @@ -79,6 +84,8 @@ contains call finalize_batch() + if (satisfy_triggers) exit BATCH_LOOP + end do BATCH_LOOP call time_active % stop() @@ -110,11 +117,33 @@ contains subroutine finalize_batch() +! Update global tallies with the omp private accumulation variables +!$omp parallel +!$omp critical + global_tallies(LEAKAGE) % value = & + global_tallies(LEAKAGE) % value + global_tally_leakage +!$omp end critical + + ! reset private tallies + global_tally_leakage = ZERO +!$omp end parallel + ! Collect and accumulate tallies call time_tallies % start() call synchronize_tallies() call time_tallies % stop() + ! Check_triggers + if (master) call check_triggers() +#ifdef MPI + call MPI_BCAST(satisfy_triggers, 1, MPI_LOGICAL, 0, & + MPI_COMM_WORLD, mpi_err) +#endif + if (satisfy_triggers .or. & + (trigger_on .and. current_batch == n_max_batches)) then + call statepoint_batch % add(current_batch) + end if + ! Write out state point if it's been specified for this batch if (statepoint_batch % contains(current_batch)) then call write_state_point() @@ -139,6 +168,9 @@ contains ! Copy source attributes to the particle call copy_source_attributes(p, source_site) + ! Determine whether to create track file + if (write_all_tracks) p % write_track = .true. + end subroutine sample_source_particle end module fixed_source diff --git a/src/geometry.F90 b/src/geometry.F90 index c79f0e6119..39d95817ba 100644 --- a/src/geometry.F90 +++ b/src/geometry.F90 @@ -2,10 +2,11 @@ module geometry use constants use error, only: fatal_error, warning - use geometry_header, only: Cell, Surface, Universe, Lattice + use geometry_header, only: Cell, Surface, Universe, Lattice, & + &RectLattice, HexLattice use global use output, only: write_message - use particle_header, only: LocalCoord, deallocate_coord, Particle + use particle_header, only: LocalCoord, Particle use particle_restart_write, only: write_particle_restart use string, only: to_str use tally, only: score_surface_current @@ -29,8 +30,7 @@ contains integer :: i_surface ! index in surfaces array (with sign) logical :: specified_sense ! specified sense of surface in list logical :: actual_sense ! sense of particle wrt surface - type(Surface), pointer, save :: s => null() -!$omp threadprivate(s) + type(Surface), pointer :: s SURFACE_LOOP: do i = 1, c % n_surfaces ! Lookup surface @@ -76,21 +76,18 @@ contains type(Particle), intent(inout) :: p integer :: i ! cell loop index on a level + integer :: j ! coordinate level index + integer :: n_coord ! saved number of coordinate levels integer :: n ! number of cells to search on a level integer :: index_cell ! index in cells array - type(Cell), pointer, save :: c => null() ! pointer to cell - type(Universe), pointer, save :: univ => null() ! universe to search in - type(LocalCoord), pointer, save :: coord => null() ! particle coordinate to search on -!$omp threadprivate(c, univ, coord) - - coord => p % coord0 + type(Cell), pointer :: c ! pointer to cell + type(Universe), pointer :: univ ! universe to search in ! loop through each coordinate level - do while (associated(coord)) - - p % coord => coord - - univ => universes(coord % universe) + n_coord = p % n_coord + do j = 1, n_coord + p % n_coord = j + univ => universes(p % coord(j) % universe) n = univ % n_cells ! loop through each cell on this level @@ -100,10 +97,10 @@ contains if (simple_cell_contains(c, p)) then ! the particle should only be contained in one cell per level - if (index_cell /= coord % cell) then + if (index_cell /= p % coord(j) % cell) then call fatal_error("Overlapping cells detected: " & &// trim(to_str(cells(index_cell) % id)) // ", " & - &// trim(to_str(cells(coord % cell) % id)) & + &// trim(to_str(cells(p % coord(j) % cell) % id)) & &// " on universe " // trim(to_str(univ % id))) end if @@ -112,9 +109,6 @@ contains end if end do - - coord => coord % next - end do end subroutine check_cell_overlap @@ -130,24 +124,20 @@ contains type(Particle), intent(inout) :: p logical, intent(inout) :: found integer, optional :: search_cells(:) - integer :: i ! index over cells - integer :: i_x, i_y, i_z ! indices in lattice - integer :: n_x, n_y, n_z ! size of lattice + integer :: j ! coordinate level index + integer :: i_xyz(3) ! indices in lattice integer :: n ! number of cells to search integer :: index_cell ! index in cells array - real(8) :: xyz(3) ! temporary location - real(8) :: upper_right(3) ! lattice upper_right logical :: use_search_cells ! use cells provided as argument - logical :: outside_lattice ! if particle is not inside lattice bounds - logical :: lattice_edge ! if particle is on a lattice edge - type(Cell), pointer, save :: c => null() ! pointer to cell - type(Lattice), pointer, save :: lat => null() ! pointer to lattice - type(Universe), pointer, save :: univ => null() ! universe to search in -!$omp threadprivate(c, lat, univ) + type(Cell), pointer :: c ! pointer to cell + class(Lattice), pointer :: lat ! pointer to lattice + type(Universe), pointer :: univ ! universe to search in - ! Remove coordinates for any lower levels - call deallocate_coord(p % coord % next) + do j = p % n_coord + 1, MAX_COORD + call p % coord(j) % reset() + end do + j = p % n_coord ! set size of list to search if (present(search_cells)) then @@ -155,17 +145,17 @@ contains n = size(search_cells) else use_search_cells = .false. - univ => universes(p % coord % universe) + univ => universes(p % coord(j) % universe) n = univ % n_cells end if - do i = 1, n + CELL_LOOP: do i = 1, n ! select cells based on whether we are searching a universe or a provided ! list of cells (this would be for lists of neighbor cells) if (use_search_cells) then index_cell = search_cells(i) ! check to make sure search cell is in same universe - if (cells(index_cell) % universe /= p % coord % universe) cycle + if (cells(index_cell) % universe /= p % coord(j) % universe) cycle else index_cell = univ % cells(i) end if @@ -173,181 +163,105 @@ contains ! get pointer to cell c => cells(index_cell) - if (simple_cell_contains(c, p)) then - ! Set cell on this level - p % coord % cell = index_cell + ! Move on to the next cell if the particle is not inside this cell + if (.not. simple_cell_contains(c, p)) cycle - ! Show cell information on trace - if (verbosity >= 10 .or. trace) then - call write_message(" Entering cell " // trim(to_str(c % id))) - end if + ! Set cell on this level + p % coord(j) % cell = index_cell - if (c % type == CELL_NORMAL) then - ! ==================================================================== - ! AT LOWEST UNIVERSE, TERMINATE SEARCH - - ! set material - p % last_material = p % material - p % material = c % material - - elseif (c % type == CELL_FILL) then - ! ==================================================================== - ! CELL CONTAINS LOWER UNIVERSE, RECURSIVELY FIND CELL - - ! Create new level of coordinates - allocate(p % coord % next) - p % coord % next % xyz = p % coord % xyz - p % coord % next % uvw = p % coord % uvw - - ! Move particle to next level and set universe - p % coord => p % coord % next - p % coord % universe = c % fill - - ! Apply translation - if (allocated(c % translation)) then - p % coord % xyz = p % coord % xyz - c % translation - end if - - ! Apply rotation - if (allocated(c % rotation)) then - p % coord % xyz = matmul(c % rotation, p % coord % xyz) - p % coord % uvw = matmul(c % rotation, p % coord % uvw) - p % coord % rotated = .true. - end if - - call find_cell(p, found) - if (.not. found) exit - - elseif (c % type == CELL_LATTICE) then - ! ==================================================================== - ! CELL CONTAINS LATTICE, RECURSIVELY FIND CELL - - ! Set current lattice - lat => lattices(c % fill) - - outside_lattice = .false. - lattice_edge = .false. - - ! determine lattice index based on position - xyz = p % coord % xyz + TINY_BIT * p % coord % uvw - i_x = ceiling((xyz(1) - lat % lower_left(1))/lat % width(1)) - i_y = ceiling((xyz(2) - lat % lower_left(2))/lat % width(2)) - n_x = lat % dimension(1) - n_y = lat % dimension(2) - if (lat % n_dimension == 3) then - i_z = ceiling((xyz(3) - lat % lower_left(3))/lat % width(3)) - n_z = lat % dimension(3) - else - i_z = 1 - n_z = 1 - end if - - ! Check if lattice coordinates are within bounds - if (i_x < 1 .or. i_x > n_x .or. i_y < 1 .or. i_y > n_y .or. & - i_z < 1 .or. i_z > n_z) then - - ! Check for when particle is on lattice edge - upper_right(1) = lat % lower_left(1) + & - lat % width(1) * dble(lat % dimension(1)) - upper_right(2) = lat % lower_left(2) + & - lat % width(2) * dble(lat % dimension(2)) - if ( abs(xyz(1) - lat % lower_left(1)) < FP_COINCIDENT .or. & - abs(xyz(2) - lat % lower_left(2)) < FP_COINCIDENT .or. & - abs(upper_right(1) - xyz(1)) < FP_COINCIDENT .or. & - abs(upper_right(2) - xyz(2)) < FP_COINCIDENT) then - lattice_edge = .true. - end if - if (lat % n_dimension == 3) then - upper_right(3) = lat % lower_left(3) + & - lat % width(3) * dble(lat % dimension(3)) - if (abs(xyz(3) - lat % lower_left(3)) < FP_COINCIDENT .or. & - abs(upper_right(3) - xyz(3)) < FP_COINCIDENT) then - lattice_edge = .true. - end if - end if - - if (lattice_edge) then - - ! In this case the neutron is leaving the lattice, so we move it - ! out, remove all lower coordinate levels and then search from - ! universe 0. - - p % coord => p % coord0 - call deallocate_coord(p % coord % next) - - ! Reset surface and advance particle a tiny bit - p % surface = NONE - p % coord % xyz = xyz - - else - - ! We're outside the lattice, so treat this as a normal cell with - ! the material specified for the outside - - outside_lattice = .true. - p % last_material = p % material - p % material = c % material - - ! We'll still make a new coordinate for the particle, as - ! distance_to_boundary will still need to track through lattice - ! widths even though there's nothing in them but this material - - end if - - end if - - if (.not. lattice_edge) then - - ! Create new level of coordinates - allocate(p % coord % next) - - ! adjust local position of particle - p % coord % next % xyz(1) = p % coord % xyz(1) - & - (lat % lower_left(1) + (i_x - 0.5_8)*lat % width(1)) - p % coord % next % xyz(2) = p % coord % xyz(2) - & - (lat % lower_left(2) + (i_y - 0.5_8)*lat % width(2)) - if (lat % n_dimension == 3) then - p % coord % next % xyz(3) = p % coord % xyz(3) - & - (lat % lower_left(3) + (i_z - 0.5_8)*lat % width(3)) - else - p % coord % next % xyz(3) = p % coord % xyz(3) - end if - p % coord % next % uvw = p % coord % uvw - - ! set particle lattice indices - p % coord % next% lattice = c % fill - p % coord % next% lattice_x = i_x - p % coord % next% lattice_y = i_y - p % coord % next% lattice_z = i_z - if (.not. outside_lattice) then - p % coord % next % universe = lat % universes(i_x,i_y,i_z) - else - - ! Set universe as the same for subsequent calls to find_cell - p % coord % next % universe = p % coord % universe - - ! Set coord cell for calls to distance_to_boundary - p % coord % next % cell = index_cell - - end if - - ! Move particle to next level - p % coord => p % coord % next - - end if - - if (.not. outside_lattice) then - call find_cell(p, found) - if (.not. found) exit - end if - - end if - - ! Found cell so we can return - found = .true. - return + ! Show cell information on trace + if (verbosity >= 10 .or. trace) then + call write_message(" Entering cell " // trim(to_str(c % id))) end if - end do + + CELL_TYPE: if (c % type == CELL_NORMAL) then + ! ====================================================================== + ! AT LOWEST UNIVERSE, TERMINATE SEARCH + + ! set material + p % last_material = p % material + p % material = c % material + + elseif (c % type == CELL_FILL) then CELL_TYPE + ! ====================================================================== + ! CELL CONTAINS LOWER UNIVERSE, RECURSIVELY FIND CELL + + ! Store lower level coordinates + p % coord(j + 1) % xyz = p % coord(j) % xyz + p % coord(j + 1) % uvw = p % coord(j) % uvw + + ! Move particle to next level and set universe + j = j + 1 + p % n_coord = j + p % coord(j) % universe = c % fill + + ! Apply translation + if (allocated(c % translation)) then + p % coord(j) % xyz = p % coord(j) % xyz - c % translation + end if + + ! Apply rotation + if (allocated(c % rotation_matrix)) then + p % coord(j) % xyz = matmul(c % rotation_matrix, p % coord(j) % xyz) + p % coord(j) % uvw = matmul(c % rotation_matrix, p % coord(j) % uvw) + p % coord(j) % rotated = .true. + end if + + call find_cell(p, found) + j = p % n_coord + if (.not. found) exit + + elseif (c % type == CELL_LATTICE) then CELL_TYPE + ! ====================================================================== + ! CELL CONTAINS LATTICE, RECURSIVELY FIND CELL + + ! Set current lattice + lat => lattices(c % fill) % obj + + ! Determine lattice indices + i_xyz = lat % get_indices(p % coord(j) % xyz + TINY_BIT * p % coord(j) % uvw) + + ! Store lower level coordinates + p % coord(j + 1) % xyz = lat % get_local_xyz(p % coord(j) % xyz, i_xyz) + p % coord(j + 1) % uvw = p % coord(j) % uvw + + ! set particle lattice indices + p % coord(j + 1) % lattice = c % fill + p % coord(j + 1) % lattice_x = i_xyz(1) + p % coord(j + 1) % lattice_y = i_xyz(2) + p % coord(j + 1) % lattice_z = i_xyz(3) + + ! Set the next lowest coordinate level. + if (lat % are_valid_indices(i_xyz)) then + ! Particle is inside the lattice. + p % coord(j + 1) % universe = & + lat % universes(i_xyz(1), i_xyz(2), i_xyz(3)) + + else + ! Particle is outside the lattice. + if (lat % outer == NO_OUTER_UNIVERSE) then + call fatal_error("A particle is outside latttice " & + // trim(to_str(lat % id)) // " but the lattice has no & + &defined outer universe.") + else + p % coord(j + 1) % universe = lat % outer + end if + end if + + ! Move particle to next level and search for the lower cells. + j = j + 1 + p % n_coord = j + + call find_cell(p, found) + j = p % n_coord + if (.not. found) exit + + end if CELL_TYPE + + ! Found cell so we can return + found = .true. + return + end do CELL_LOOP found = .false. @@ -377,8 +291,7 @@ contains real(8) :: norm ! "norm" of surface normal integer :: i_surface ! index in surfaces logical :: found ! particle found in universe? - type(Surface), pointer, save :: surf => null() -!$omp threadprivate(surf) + type(Surface), pointer :: surf i_surface = abs(p % surface) surf => surfaces(i_surface) @@ -401,15 +314,13 @@ contains ! TODO: Find a better solution to score surface currents than ! physically moving the particle forward slightly - p % coord0 % xyz = p % coord0 % xyz + TINY_BIT * p % coord0 % uvw + p % coord(1) % xyz = p % coord(1) % xyz + TINY_BIT * p % coord(1) % uvw call score_surface_current(p) end if ! Score to global leakage tally if (tallies_on) then -!$omp atomic - global_tallies(LEAKAGE) % value = & - global_tallies(LEAKAGE) % value + p % wgt + global_tally_leakage = global_tally_leakage + p % wgt end if ! Display message @@ -424,7 +335,7 @@ contains ! PARTICLE REFLECTS FROM SURFACE ! Do not handle reflective boundary conditions on lower universes - if (.not. associated(p % coord, p % coord0)) then + if (p % n_coord /= 1) then call handle_lost_particle(p, "Cannot reflect particle " & &// trim(to_str(p % id)) // " off surface in a lower universe.") return @@ -435,15 +346,15 @@ contains ! case the surface crossing in coincident with a mesh boundary if (active_current_tallies % size() > 0) then - p % coord0 % xyz = p % coord0 % xyz - TINY_BIT * p % coord0 % uvw + p % coord(1) % xyz = p % coord(1) % xyz - TINY_BIT * p % coord(1) % uvw call score_surface_current(p) - p % coord0 % xyz = p % coord0 % xyz + TINY_BIT * p % coord0 % uvw + p % coord(1) % xyz = p % coord(1) % xyz + TINY_BIT * p % coord(1) % uvw end if ! Copy particle's direction cosines - u = p % coord0 % uvw(1) - v = p % coord0 % uvw(2) - w = p % coord0 % uvw(3) + u = p % coord(1) % uvw(1) + v = p % coord(1) % uvw(2) + w = p % coord(1) % uvw(3) select case (surf%type) case (SURF_PX) @@ -470,8 +381,8 @@ contains case (SURF_CYL_X) ! Find y-y0, z-z0 and dot product of direction and surface normal - y = p % coord0 % xyz(2) - surf % coeffs(1) - z = p % coord0 % xyz(3) - surf % coeffs(2) + y = p % coord(1) % xyz(2) - surf % coeffs(1) + z = p % coord(1) % xyz(3) - surf % coeffs(2) R = surf % coeffs(3) dot_prod = v*y + w*z @@ -481,8 +392,8 @@ contains case (SURF_CYL_Y) ! Find x-x0, z-z0 and dot product of direction and surface normal - x = p % coord0 % xyz(1) - surf % coeffs(1) - z = p % coord0 % xyz(3) - surf % coeffs(2) + x = p % coord(1) % xyz(1) - surf % coeffs(1) + z = p % coord(1) % xyz(3) - surf % coeffs(2) R = surf % coeffs(3) dot_prod = u*x + w*z @@ -492,8 +403,8 @@ contains case (SURF_CYL_Z) ! Find x-x0, y-y0 and dot product of direction and surface normal - x = p % coord0 % xyz(1) - surf % coeffs(1) - y = p % coord0 % xyz(2) - surf % coeffs(2) + x = p % coord(1) % xyz(1) - surf % coeffs(1) + y = p % coord(1) % xyz(2) - surf % coeffs(2) R = surf % coeffs(3) dot_prod = u*x + v*y @@ -504,9 +415,9 @@ contains case (SURF_SPHERE) ! Find x-x0, y-y0, z-z0 and dot product of direction and surface ! normal - x = p % coord0 % xyz(1) - surf % coeffs(1) - y = p % coord0 % xyz(2) - surf % coeffs(2) - z = p % coord0 % xyz(3) - surf % coeffs(3) + x = p % coord(1) % xyz(1) - surf % coeffs(1) + y = p % coord(1) % xyz(2) - surf % coeffs(2) + z = p % coord(1) % xyz(3) - surf % coeffs(3) R = surf % coeffs(4) dot_prod = u*x + v*y + w*z @@ -518,9 +429,9 @@ contains case (SURF_CONE_X) ! Find x-x0, y-y0, z-z0 and dot product of direction and surface ! normal - x = p % coord0 % xyz(1) - surf % coeffs(1) - y = p % coord0 % xyz(2) - surf % coeffs(2) - z = p % coord0 % xyz(3) - surf % coeffs(3) + x = p % coord(1) % xyz(1) - surf % coeffs(1) + y = p % coord(1) % xyz(2) - surf % coeffs(2) + z = p % coord(1) % xyz(3) - surf % coeffs(3) R = surf % coeffs(4) dot_prod = (v*y + w*z - R*u*x)/((R + ONE)*R*x*x) @@ -532,9 +443,9 @@ contains case (SURF_CONE_Y) ! Find x-x0, y-y0, z-z0 and dot product of direction and surface ! normal - x = p % coord0 % xyz(1) - surf % coeffs(1) - y = p % coord0 % xyz(2) - surf % coeffs(2) - z = p % coord0 % xyz(3) - surf % coeffs(3) + x = p % coord(1) % xyz(1) - surf % coeffs(1) + y = p % coord(1) % xyz(2) - surf % coeffs(2) + z = p % coord(1) % xyz(3) - surf % coeffs(3) R = surf % coeffs(4) dot_prod = (u*x + w*z - R*v*y)/((R + ONE)*R*y*y) @@ -546,9 +457,9 @@ contains case (SURF_CONE_Z) ! Find x-x0, y-y0, z-z0 and dot product of direction and surface ! normal - x = p % coord0 % xyz(1) - surf % coeffs(1) - y = p % coord0 % xyz(2) - surf % coeffs(2) - z = p % coord0 % xyz(3) - surf % coeffs(3) + x = p % coord(1) % xyz(1) - surf % coeffs(1) + y = p % coord(1) % xyz(2) - surf % coeffs(2) + z = p % coord(1) % xyz(3) - surf % coeffs(3) R = surf % coeffs(4) dot_prod = (u*x + v*y - R*w*z)/((R + ONE)*R*z*z) @@ -564,28 +475,26 @@ contains ! Set new particle direction norm = sqrt(u*u + v*v + w*w) - p % coord0 % uvw = [u, v, w] / norm + p % coord(1) % uvw = [u, v, w] / norm ! Reassign particle's cell and surface - p % coord0 % cell = last_cell + p % coord(1) % cell = last_cell p % surface = -p % surface ! If a reflective surface is coincident with a lattice or universe ! boundary, it is necessary to redetermine the particle's coordinates in ! the lower universes. - if (associated(p % coord0 % next)) then - call deallocate_coord(p % coord0 % next) - call find_cell(p, found) - if (.not. found) then - call handle_lost_particle(p, "Couldn't find particle after reflecting& - & from surface.") - return - end if + p % n_coord = 1 + call find_cell(p, found) + if (.not. found) then + call handle_lost_particle(p, "Couldn't find particle after reflecting& + & from surface.") + return end if ! Set previous coordinate going slightly past surface crossing - p % last_xyz = p % coord0 % xyz + TINY_BIT * p % coord0 % uvw + p % last_xyz = p % coord(1) % xyz + TINY_BIT * p % coord(1) % uvw ! Diagnostic message if (verbosity >= 10 .or. trace) then @@ -619,8 +528,7 @@ contains ! Remove lower coordinate levels and assignment of surface p % surface = NONE - p % coord => p % coord0 - call deallocate_coord(p % coord % next) + p % n_coord = 1 call find_cell(p, found) if (run_mode /= MODE_PLOTTING .and. (.not. found)) then @@ -629,9 +537,8 @@ contains ! the particle is really traveling tangent to a surface, if we move it ! forward a tiny bit it should fix the problem. - p % coord => p % coord0 - call deallocate_coord(p % coord % next) - p % coord % xyz = p % coord % xyz + TINY_BIT * p % coord % uvw + p % n_coord = 1 + p % coord(1) % xyz = p % coord(1) % xyz + TINY_BIT * p % coord(1) % uvw call find_cell(p, found) ! Couldn't find next cell anywhere! This probably means there is an actual @@ -651,116 +558,70 @@ contains ! CROSS_LATTICE moves a particle into a new lattice element !=============================================================================== - subroutine cross_lattice(p, lattice_crossed) + subroutine cross_lattice(p, lattice_translation) type(Particle), intent(inout) :: p - integer, intent(in) :: lattice_crossed + integer, intent(in) :: lattice_translation(3) + integer :: j + integer :: i_xyz(3) ! indices in lattice + logical :: found ! particle found in cell? + class(Lattice), pointer :: lat - integer :: i_x, i_y, i_z ! indices in lattice - integer :: n_x, n_y, n_z ! size of lattice - real(8) :: x0, y0, z0 ! half width of lattice element - logical :: found ! particle found in cell? - type(Lattice), pointer, save :: lat => null() -!$omp threadprivate(lat) - - lat => lattices(p % coord % lattice) + j = p % n_coord + lat => lattices(p % coord(j) % lattice) % obj if (verbosity >= 10 .or. trace) then call write_message(" Crossing lattice " // trim(to_str(lat % id)) & - &// ". Current position (" // trim(to_str(p % coord % lattice_x)) & - &// "," // trim(to_str(p % coord % lattice_y)) // "," & - &// trim(to_str(p % coord % lattice_z)) // ")") + &// ". Current position (" // trim(to_str(p % coord(j) % lattice_x)) & + &// "," // trim(to_str(p % coord(j) % lattice_y)) // "," & + &// trim(to_str(p % coord(j) % lattice_z)) // ")") end if - if (lat % type == LATTICE_RECT) then - x0 = lat % width(1) * 0.5_8 - y0 = lat % width(2) * 0.5_8 - if (lat % n_dimension == 3) z0 = lat % width(3) * 0.5_8 + ! Set the lattice indices. + p % coord(j) % lattice_x = p % coord(j) % lattice_x + lattice_translation(1) + p % coord(j) % lattice_y = p % coord(j) % lattice_y + lattice_translation(2) + p % coord(j) % lattice_z = p % coord(j) % lattice_z + lattice_translation(3) + i_xyz(1) = p % coord(j) % lattice_x + i_xyz(2) = p % coord(j) % lattice_y + i_xyz(3) = p % coord(j) % lattice_z - select case (lattice_crossed) - case (LATTICE_LEFT) - ! Move particle to left element - p % coord % lattice_x = p % coord % lattice_x - 1 - p % coord % xyz(1) = x0 + ! Set the new coordinate position. + p % coord(j) % xyz = lat % get_local_xyz(p % coord(j - 1) % xyz, i_xyz) - case (LATTICE_RIGHT) - ! Move particle to right element - p % coord % lattice_x = p % coord % lattice_x + 1 - p % coord % xyz(1) = -x0 - - case (LATTICE_BACK) - ! Move particle to bottom element - p % coord % lattice_y = p % coord % lattice_y - 1 - p % coord % xyz(2) = y0 - - case (LATTICE_FRONT) - ! Move particle to top element - p % coord % lattice_y = p % coord % lattice_y + 1 - p % coord % xyz(2) = -y0 - - case (LATTICE_BOTTOM) - ! Move particle to bottom element - p % coord % lattice_z = p % coord % lattice_z - 1 - p % coord % xyz(3) = z0 - - case (LATTICE_TOP) - ! Move particle to top element - p % coord % lattice_z = p % coord % lattice_z + 1 - p % coord % xyz(3) = -z0 - - end select - elseif (lat % type == LATTICE_HEX) then - ! TODO: Add hex lattice support - end if - - ! Check to make sure still in lattice - i_x = p % coord % lattice_x - i_y = p % coord % lattice_y - i_z = p % coord % lattice_z - n_x = lat % dimension(1) - n_y = lat % dimension(2) - if (lat % n_dimension == 3) then - n_z = lat % dimension(3) - else - n_z = 1 - end if - if (i_x < 1 .or. i_x > n_x .or. i_y < 1 .or. i_y > n_y .or. & - i_z < 1 .or. i_z > n_z) then - call deallocate_coord(p % coord0 % next) - p % coord => p % coord0 - - ! Search for particle + OUTSIDE_LAT: if (.not. lat % are_valid_indices(i_xyz)) then + ! The particle is outside the lattice. Search for it from base coord + p % n_coord = 1 call find_cell(p, found) if (.not. found) then call handle_lost_particle(p, "Could not locate particle " & - &// trim(to_str(p % id)) // " after crossing a lattice boundary.") + // trim(to_str(p % id)) // " after crossing a lattice boundary.") return end if - else - ! Find universe for next lattice element - p % coord % universe = lat % universes(i_x, i_y, i_z) + + else OUTSIDE_LAT ! Find cell in next lattice element + p % coord(j) % universe = lat % universes(i_xyz(1), i_xyz(2), i_xyz(3)) + call find_cell(p, found) if (.not. found) then - ! In some circumstances, a particle crossing the corner of a cell may not - ! be able to be found in the next universe. In this scenario we cut off - ! all lower-level coordinates and search from universe zero + ! In some circumstances, a particle crossing the corner of a cell may + ! not be able to be found in the next universe. In this scenario we cut + ! off all lower-level coordinates and search from universe zero ! Remove lower coordinates - call deallocate_coord(p % coord0 % next) - p % coord => p % coord0 + p % n_coord = 1 ! Search for particle call find_cell(p, found) if (.not. found) then call handle_lost_particle(p, "Could not locate particle " & - &// trim(to_str(p % id)) & - &// " after crossing a lattice boundary.") + // trim(to_str(p % id)) & + // " after crossing a lattice boundary.") return end if end if - end if + end if OUTSIDE_LAT end subroutine cross_lattice @@ -770,49 +631,59 @@ contains ! that has a parent cell, also include the surfaces of the edge of the universe. !=============================================================================== - subroutine distance_to_boundary(p, dist, surface_crossed, lattice_crossed) + subroutine distance_to_boundary(p, dist, surface_crossed, lattice_translation, & + next_level) type(Particle), intent(inout) :: p real(8), intent(out) :: dist integer, intent(out) :: surface_crossed - integer, intent(out) :: lattice_crossed + integer, intent(out) :: lattice_translation(3) + integer, intent(out) :: next_level - integer :: i ! index for surface in cell - integer :: index_surf ! index in surfaces array (with sign) - real(8) :: x,y,z ! particle coordinates - real(8) :: u,v,w ! particle directions - real(8) :: d ! evaluated distance - real(8) :: x0,y0,z0 ! coefficients for surface - real(8) :: r ! radius for quadratic surfaces - real(8) :: tmp ! dot product of surface normal with direction - real(8) :: a,b,c,k ! quadratic equation coefficients - real(8) :: quad ! discriminant of quadratic equation - logical :: on_surface ! is particle on surface? - type(Cell), pointer, save :: cl => null() - type(Surface), pointer, save :: surf => null() - type(Lattice), pointer, save :: lat => null() - type(LocalCoord), pointer, save :: coord => null() - type(LocalCoord), pointer, save :: final_coord => null() -!$omp threadprivate(cl, surf, lat, coord, final_coord) + integer :: i ! index for surface in cell + integer :: j + integer :: index_surf ! index in surfaces array (with sign) + integer :: i_xyz(3) ! lattice indices + integer :: level_surf_cross ! surface crossed on current level + integer :: level_lat_trans(3) ! lattice translation on current level + real(8) :: x,y,z ! particle coordinates + real(8) :: xyz_t(3) ! local particle coordinates + real(8) :: beta, gama ! skewed particle coordiantes + real(8) :: u,v,w ! particle directions + real(8) :: beta_dir ! skewed particle direction + real(8) :: gama_dir ! skewed particle direction + real(8) :: edge ! distance to oncoming edge + real(8) :: d ! evaluated distance + real(8) :: d_lat ! distance to lattice boundary + real(8) :: d_surf ! distance to surface + real(8) :: x0,y0,z0 ! coefficients for surface + real(8) :: r ! radius for quadratic surfaces + real(8) :: tmp ! dot product of surface normal with direction + real(8) :: a,b,c,k ! quadratic equation coefficients + real(8) :: quad ! discriminant of quadratic equation + logical :: on_surface ! is particle on surface? + type(Cell), pointer :: cl + type(Surface), pointer :: surf + class(Lattice), pointer :: lat ! inialize distance to infinity (huge) dist = INFINITY - lattice_crossed = NONE - nullify(final_coord) + d_lat = INFINITY + d_surf = INFINITY + lattice_translation(:) = [0, 0, 0] - ! Get pointer to top-level coordinates - coord => p % coord0 + next_level = 0 ! Loop over each universe level - LEVEL_LOOP: do while(associated(coord)) + LEVEL_LOOP: do j = 1, p % n_coord ! get pointer to cell on this level - cl => cells(coord % cell) + cl => cells(p % coord(j) % cell) ! copy directional cosines - u = coord % uvw(1) - v = coord % uvw(2) - w = coord % uvw(3) + u = p % coord(j) % uvw(1) + v = p % coord(j) % uvw(2) + w = p % coord(j) % uvw(3) ! ======================================================================= ! FIND MINIMUM DISTANCE TO SURFACE IN THIS CELL @@ -820,9 +691,9 @@ contains SURFACE_LOOP: do i = 1, cl % n_surfaces ! copy local coordinates of particle - x = coord % xyz(1) - y = coord % xyz(2) - z = coord % xyz(3) + x = p % coord(j) % xyz(1) + y = p % coord(j) % xyz(2) + z = p % coord(j) % xyz(3) ! check for coincident surface -- note that we can't skip the ! calculation in general because a particle could be on one side of a @@ -1231,12 +1102,10 @@ contains end select ! Check is calculated distance is new minimum - if (d < dist) then - if (abs(d - dist)/dist >= FP_PRECISION) then - dist = d - surface_crossed = -cl % surfaces(i) - lattice_crossed = NONE - final_coord => coord + if (d < d_surf) then + if (abs(d - d_surf)/d_surf >= FP_PRECISION) then + d_surf = d + level_surf_cross = -cl % surfaces(i) end if end if @@ -1245,17 +1114,20 @@ contains ! ======================================================================= ! FIND MINIMUM DISTANCE TO LATTICE SURFACES - if (coord % lattice /= NONE) then - lat => lattices(coord % lattice) - if (lat % type == LATTICE_RECT) then + LAT_COORD: if (p % coord(j) % lattice /= NONE) then + lat => lattices(p % coord(j) % lattice) % obj + + LAT_TYPE: select type(lat) + + type is (RectLattice) ! copy local coordinates - x = coord % xyz(1) - y = coord % xyz(2) - z = coord % xyz(3) + x = p % coord(j) % xyz(1) + y = p % coord(j) % xyz(2) + z = p % coord(j) % xyz(3) ! determine oncoming edge - x0 = sign(lat % width(1) * 0.5_8, u) - y0 = sign(lat % width(2) * 0.5_8, v) + x0 = sign(lat % pitch(1) * HALF, u) + y0 = sign(lat % pitch(2) * HALF, v) ! left and right sides if (abs(x - x0) < FP_PRECISION) then @@ -1266,23 +1138,11 @@ contains d = (x0 - x)/u end if - ! If the lattice boundary is coincident with the parent cell boundary, - ! we need to make sure that the lattice is not selected. This is - ! complicated by the fact that floating point may determine that one - ! is closer than the other (can't check direct equality). Thus, the - ! logic here checks whether the relative difference is within floating - ! point precision. - - if (d < dist) then - if (abs(d - dist)/dist >= FP_REL_PRECISION) then - dist = d - if (u > 0) then - lattice_crossed = LATTICE_RIGHT - else - lattice_crossed = LATTICE_LEFT - end if - final_coord => coord - end if + d_lat = d + if (u > 0) then + level_lat_trans(:) = [1, 0, 0] + else + level_lat_trans(:) = [-1, 0, 0] end if ! front and back sides @@ -1294,20 +1154,17 @@ contains d = (y0 - y)/v end if - if (d < dist) then - if (abs(d - dist)/dist >= FP_REL_PRECISION) then - dist = d - if (v > 0) then - lattice_crossed = LATTICE_FRONT - else - lattice_crossed = LATTICE_BACK - end if - final_coord => coord + if (d < d_lat) then + d_lat = d + if (v > 0) then + level_lat_trans(:) = [0, 1, 0] + else + level_lat_trans(:) = [0, -1, 0] end if end if - if (lat % n_dimension == 3) then - z0 = sign(lat % width(3) * 0.5_8, w) + if (lat % is_3d) then + z0 = sign(lat % pitch(3) * HALF, w) ! top and bottom sides if (abs(z - z0) < FP_PRECISION) then @@ -1318,31 +1175,158 @@ contains d = (z0 - z)/w end if - if (d < dist) then - if (abs(d - dist)/dist >= FP_REL_PRECISION) then - dist = d - if (w > 0) then - lattice_crossed = LATTICE_TOP - else - lattice_crossed = LATTICE_BOTTOM - end if - final_coord => coord + if (d < d_lat) then + d_lat = d + if (w > 0) then + level_lat_trans(:) = [0, 0, 1] + else + level_lat_trans(:) = [0, 0, -1] end if end if end if - elseif (lat % type == LATTICE_HEX) then - ! TODO: Add hex lattice support + type is (HexLattice) LAT_TYPE + ! Copy local coordinates. + z = p % coord(j) % xyz(3) + i_xyz(1) = p % coord(j) % lattice_x + i_xyz(2) = p % coord(j) % lattice_y + i_xyz(3) = p % coord(j) % lattice_z + + ! Compute velocities along the hexagonal axes. + beta_dir = u*sqrt(THREE)/TWO + v/TWO + gama_dir = u*sqrt(THREE)/TWO - v/TWO + + ! Note that hexagonal lattice distance calculations are performed + ! using the particle's coordinates relative to the neighbor lattice + ! cells, not relative to the particle's current cell. This is done + ! because there is significant disagreement between neighboring cells + ! on where the lattice boundary is due to the worse finite precision + ! of hex lattices. + + ! Upper right and lower left sides. + edge = -sign(lat % pitch(1)/TWO, beta_dir) ! Oncoming edge + if (beta_dir > ZERO) then + xyz_t = lat % get_local_xyz(p % coord(j - 1) % xyz, i_xyz+[1, 0, 0]) + else + xyz_t = lat % get_local_xyz(p % coord(j - 1) % xyz, i_xyz+[-1, 0, 0]) + end if + beta = xyz_t(1)*sqrt(THREE)/TWO + xyz_t(2)/TWO + if (abs(beta - edge) < FP_PRECISION) then + d = INFINITY + else if (beta_dir == ZERO) then + d = INFINITY + else + d = (edge - beta)/beta_dir + end if + + d_lat = d + if (beta_dir > 0) then + level_lat_trans(:) = [1, 0, 0] + else + level_lat_trans(:) = [-1, 0, 0] + end if + + ! Lower right and upper left sides. + edge = -sign(lat % pitch(1)/TWO, gama_dir) ! Oncoming edge + if (gama_dir > ZERO) then + xyz_t = lat % get_local_xyz(p % coord(j - 1) % xyz, i_xyz+[1, -1, 0]) + else + xyz_t = lat % get_local_xyz(p % coord(j - 1) % xyz, i_xyz+[-1, 1, 0]) + end if + gama = xyz_t(1)*sqrt(THREE)/TWO - xyz_t(2)/TWO + if (abs(gama - edge) < FP_PRECISION) then + d = INFINITY + else if (gama_dir == ZERO) then + d = INFINITY + else + d = (edge - gama)/gama_dir + end if + + if (d < d_lat) then + d_lat = d + if (gama_dir > 0) then + level_lat_trans(:) = [1, -1, 0] + else + level_lat_trans(:) = [-1, 1, 0] + end if + end if + + ! Upper and lower sides. + edge = -sign(lat % pitch(1)/TWO, v) ! Oncoming edge + if (v > ZERO) then + xyz_t = lat % get_local_xyz(p % coord(j - 1) % xyz, i_xyz+[0, 1, 0]) + else + xyz_t = lat % get_local_xyz(p % coord(j - 1) % xyz, i_xyz+[0, -1, 0]) + end if + if (abs(xyz_t(2) - edge) < FP_PRECISION) then + d = INFINITY + else if (v == ZERO) then + d = INFINITY + else + d = (edge - xyz_t(2))/v + end if + + if (d < d_lat) then + d_lat = d + if (v > 0) then + level_lat_trans(:) = [0, 1, 0] + else + level_lat_trans(:) = [0, -1, 0] + end if + end if + + ! Top and bottom sides. + if (lat % is_3d) then + z0 = sign(lat % pitch(2) * HALF, w) + + if (abs(z - z0) < FP_PRECISION) then + d = INFINITY + elseif (w == ZERO) then + d = INFINITY + else + d = (z0 - z)/w + end if + + if (d < d_lat) then + d_lat = d + if (w > 0) then + level_lat_trans(:) = [0, 0, 1] + else + level_lat_trans(:) = [0, 0, -1] + end if + end if + end if + end select LAT_TYPE + + if (d_lat < ZERO) then + call handle_lost_particle(p, "Particle " // trim(to_str(p % id)) & + //" had a negative distance to a lattice boundary. d = " & + //trim(to_str(d_lat))) + end if + end if LAT_COORD + + ! If the boundary on this lattice level is coincident with a boundary on + ! a higher level then we need to make sure that the higher level boundary + ! is selected. This logic must include consideration of floating point + ! precision. + if (d_surf < d_lat) then + if ((dist - d_surf)/dist >= FP_REL_PRECISION) then + dist = d_surf + surface_crossed = level_surf_cross + lattice_translation(:) = [0, 0, 0] + next_level = j + end if + else + if ((dist - d_lat)/dist >= FP_REL_PRECISION) then + dist = d_lat + surface_crossed = None + lattice_translation(:) = level_lat_trans + next_level = j end if end if - coord => coord % next - end do LEVEL_LOOP - ! Move particle to appropriate coordinate level - if (associated(final_coord)) p % coord => final_coord - end subroutine distance_to_boundary !=============================================================================== @@ -1357,6 +1341,7 @@ contains type(Surface), pointer :: surf ! surface logical :: s ! sense of particle + integer :: j real(8) :: x,y,z ! coordinates of particle real(8) :: func ! surface function evaluated at point real(8) :: A ! coefficient on x for plane @@ -1366,9 +1351,10 @@ contains real(8) :: x0,y0,z0 ! coefficients for quadratic surfaces / box real(8) :: r ! radius for quadratic surfaces - x = p % coord % xyz(1) - y = p % coord % xyz(2) - z = p % coord % xyz(3) + j = p % n_coord + x = p % coord(j) % xyz(1) + y = p % coord(j) % xyz(2) + z = p % coord(j) % xyz(3) select case (surf % type) case (SURF_PX) @@ -1460,7 +1446,7 @@ contains if (abs(func) < FP_COINCIDENT) then ! Particle may be coincident with this surface. Artifically move the ! particle forward a tiny bit. - p % coord % xyz = p % coord % xyz + TINY_BIT * p % coord % uvw + p % coord(j) % xyz = p % coord(j) % xyz + TINY_BIT * p % coord(j) % uvw s = sense(p, surf) elseif (func > 0) then s = .true. @@ -1576,4 +1562,405 @@ contains end subroutine handle_lost_particle +!=============================================================================== +! CALC_OFFSETS calculates and stores the offsets in all fill cells. This +! routine is called once upon initialization. +!=============================================================================== + + subroutine calc_offsets(goal, map, univ, counts, found) + + integer, intent(in) :: goal ! target universe ID + integer, intent(in) :: map ! map index in vector of maps + type(Universe), intent(in) :: univ ! universe searching in + integer, intent(inout) :: counts(:,:) ! target count + logical, intent(inout) :: found(:,:) ! target found + + integer :: i ! index over cells + integer :: j, k, m ! indices in lattice + integer :: n ! number of cells to search + integer :: offset ! total offset for a given cell + integer :: cell_index ! index in cells array + type(Cell), pointer :: c ! pointer to current cell + type(Universe), pointer :: next_univ ! next universe to cycle through + class(Lattice), pointer :: lat ! pointer to current lattice + + n = univ % n_cells + offset = 0 + + do i = 1, n + + cell_index = univ % cells(i) + + ! get pointer to cell + c => cells(cell_index) + + ! ==================================================================== + ! AT LOWEST UNIVERSE, TERMINATE SEARCH + if (c % type == CELL_NORMAL) then + + ! ==================================================================== + ! CELL CONTAINS LOWER UNIVERSE, RECURSIVELY FIND CELL + elseif (c % type == CELL_FILL) then + ! Set offset for the cell on this level + c % offset(map) = offset + + ! Count contents of this cell + next_univ => universes(c % fill) + offset = offset + count_target(next_univ, counts, found, goal, map) + + ! Move into the next universe + next_univ => universes(c % fill) + c => cells(cell_index) + + ! ==================================================================== + ! CELL CONTAINS LATTICE, RECURSIVELY FIND CELL + elseif (c % type == CELL_LATTICE) then + + ! Set current lattice + lat => lattices(c % fill) % obj + + select type (lat) + + type is (RectLattice) + + ! Loop over lattice coordinates + do j = 1, lat % n_cells(1) + do k = 1, lat % n_cells(2) + do m = 1, lat % n_cells(3) + lat % offset(map, j, k, m) = offset + next_univ => universes(lat % universes(j, k, m)) + offset = offset + & + count_target(next_univ, counts, found, goal, map) + end do + end do + end do + + type is (HexLattice) + + ! Loop over lattice coordinates + do m = 1, lat % n_axial + do k = 1, 2*lat % n_rings - 1 + do j = 1, 2*lat % n_rings - 1 + ! This array location is never used + if (j + k < lat % n_rings + 1) then + cycle + ! This array location is never used + else if (j + k > 3*lat % n_rings - 1) then + cycle + else + lat % offset(map, j, k, m) = offset + next_univ => universes(lat % universes(j, k, m)) + offset = offset + & + count_target(next_univ, counts, found, goal, map) + end if + end do + end do + end do + end select + + end if + end do + + end subroutine calc_offsets + +!=============================================================================== +! COUNT_TARGET recursively totals the numbers of occurances of a given +! universe ID beginning with the universe given. +!=============================================================================== + + recursive function count_target(univ, counts, found, goal, map) result(count) + + type(Universe), intent(in) :: univ ! universe to search through + integer, intent(inout) :: counts(:,:) ! target count + logical, intent(inout) :: found(:,:) ! target found + integer, intent(in) :: goal ! target universe ID + integer, intent(in) :: map ! current map + + integer :: i ! index over cells + integer :: j, k, m ! indices in lattice + integer :: n ! number of cells to search + integer :: cell_index ! index in cells array + integer :: count ! number of times target located + type(Cell), pointer :: c ! pointer to current cell + type(Universe), pointer :: next_univ ! next univ to loop through + class(Lattice), pointer :: lat ! pointer to current lattice + + ! Don't research places already checked + if (found(universe_dict % get_key(univ % id), map)) then + count = counts(universe_dict % get_key(univ % id), map) + return + end if + + ! If this is the target, it can't contain itself. + ! Count = 1, then quit + if (univ % id == goal) then + count = 1 + counts(universe_dict % get_key(univ % id), map) = 1 + found(universe_dict % get_key(univ % id), map) = .true. + return + end if + + count = 0 + n = univ % n_cells + + do i = 1, n + + cell_index = univ % cells(i) + + ! get pointer to cell + c => cells(cell_index) + + ! ==================================================================== + ! AT LOWEST UNIVERSE, TERMINATE SEARCH + if (c % type == CELL_NORMAL) then + + ! ==================================================================== + ! CELL CONTAINS LOWER UNIVERSE, RECURSIVELY FIND CELL + elseif (c % type == CELL_FILL) then + + next_univ => universes(c % fill) + + ! Found target - stop since target cannot contain itself + if (next_univ % id == goal) then + count = count + 1 + return + end if + + count = count + count_target(next_univ, counts, found, goal, map) + c => cells(cell_index) + + ! ==================================================================== + ! CELL CONTAINS LATTICE, RECURSIVELY FIND CELL + elseif (c % type == CELL_LATTICE) then + + ! Set current lattice + lat => lattices(c % fill) % obj + + select type (lat) + + type is (RectLattice) + + ! Loop over lattice coordinates + do j = 1, lat % n_cells(1) + do k = 1, lat % n_cells(2) + do m = 1, lat % n_cells(3) + next_univ => universes(lat % universes(j, k, m)) + + ! Found target - stop since target cannot contain itself + if (next_univ % id == goal) then + count = count + 1 + cycle + end if + + count = count + & + count_target(next_univ, counts, found, goal, map) + + end do + end do + end do + + type is (HexLattice) + + ! Loop over lattice coordinates + do m = 1, lat % n_axial + do k = 1, 2*lat % n_rings - 1 + do j = 1, 2*lat % n_rings - 1 + ! This array location is never used + if (j + k < lat % n_rings + 1) then + cycle + ! This array location is never used + else if (j + k > 3*lat % n_rings - 1) then + cycle + else + next_univ => universes(lat % universes(j, k, m)) + + ! Found target - stop since target cannot contain itself + if (next_univ % id == goal) then + count = count + 1 + cycle + end if + + count = count + & + count_target(next_univ, counts, found, goal, map) + end if + end do + end do + end do + + end select + + end if + end do + + counts(universe_dict % get_key(univ % id), map) = count + found(universe_dict % get_key(univ % id), map) = .true. + + end function count_target + +!=============================================================================== +! COUNT_INSTANCE recursively totals the number of occurrences of all cells +! beginning with the universe given. +!=============================================================================== + + recursive subroutine count_instance(univ) + + type(Universe), intent(in) :: univ ! universe to search through + + integer :: i ! index over cells + integer :: j, k, m ! indices in lattice + integer :: n ! number of cells to search + integer :: cell_index ! index in cells array + type(Cell), pointer :: c ! pointer to current cell + type(Universe), pointer :: next_univ ! next universe to loop through + class(Lattice), pointer :: lat ! pointer to current lattice + + n = univ % n_cells + + do i = 1, n + + cell_index = univ % cells(i) + + ! get pointer to cell + c => cells(cell_index) + c % instances = c % instances + 1 + + ! ==================================================================== + ! AT LOWEST UNIVERSE, TERMINATE SEARCH + if (c % type == CELL_NORMAL) then + + ! ==================================================================== + ! CELL CONTAINS LOWER UNIVERSE, RECURSIVELY FIND CELL + elseif (c % type == CELL_FILL) then + + next_univ => universes(c % fill) + + call count_instance(next_univ) + c => cells(cell_index) + + ! ==================================================================== + ! CELL CONTAINS LATTICE, RECURSIVELY FIND CELL + elseif (c % type == CELL_LATTICE) then + + ! Set current lattice + lat => lattices(c % fill) % obj + + select type (lat) + + type is (RectLattice) + + ! Loop over lattice coordinates + do j = 1, lat % n_cells(1) + do k = 1, lat % n_cells(2) + do m = 1, lat % n_cells(3) + next_univ => universes(lat % universes(j, k, m)) + call count_instance(next_univ) + end do + end do + end do + + type is (HexLattice) + + ! Loop over lattice coordinates + do m = 1, lat % n_axial + do k = 1, 2*lat % n_rings - 1 + do j = 1, 2*lat % n_rings - 1 + ! This array location is never used + if (j + k < lat % n_rings + 1) then + cycle + ! This array location is never used + else if (j + k > 3*lat % n_rings - 1) then + cycle + else + next_univ => universes(lat % universes(j, k, m)) + call count_instance(next_univ) + end if + end do + end do + end do + + end select + + end if + end do + + end subroutine count_instance + +!=============================================================================== +! MAXIMUM_LEVELS determines the maximum number of nested coordinate levels in +! the geometry +!=============================================================================== + + recursive function maximum_levels(univ) result(levels) + + type(Universe), intent(in) :: univ ! universe to search through + integer :: levels ! maximum number of levels for this universe + + integer :: i ! index over cells + integer :: j, k, m ! indices in lattice + integer :: levels_below ! max levels below this universe + type(Cell), pointer :: c ! pointer to current cell + type(Universe), pointer :: next_univ ! next universe to loop through + class(Lattice), pointer :: lat ! pointer to current lattice + + levels_below = 0 + do i = 1, univ % n_cells + c => cells(univ % cells(i)) + + ! ==================================================================== + ! CELL CONTAINS LOWER UNIVERSE, RECURSIVELY FIND CELL + if (c % type == CELL_FILL) then + + next_univ => universes(c % fill) + levels_below = max(levels_below, maximum_levels(next_univ)) + + ! ==================================================================== + ! CELL CONTAINS LATTICE, RECURSIVELY FIND CELL + elseif (c % type == CELL_LATTICE) then + + ! Set current lattice + lat => lattices(c % fill) % obj + + select type (lat) + + type is (RectLattice) + + ! Loop over lattice coordinates + do j = 1, lat % n_cells(1) + do k = 1, lat % n_cells(2) + do m = 1, lat % n_cells(3) + next_univ => universes(lat % universes(j, k, m)) + levels_below = max(levels_below, maximum_levels(next_univ)) + end do + end do + end do + + type is (HexLattice) + + ! Loop over lattice coordinates + do m = 1, lat % n_axial + do k = 1, 2*lat % n_rings - 1 + do j = 1, 2*lat % n_rings - 1 + ! This array location is never used + if (j + k < lat % n_rings + 1) then + cycle + ! This array location is never used + else if (j + k > 3*lat % n_rings - 1) then + cycle + else + next_univ => universes(lat % universes(j, k, m)) + levels_below = max(levels_below, maximum_levels(next_univ)) + end if + end do + end do + end do + + end select + + end if + end do + + levels = 1 + levels_below + + end function maximum_levels + end module geometry diff --git a/src/geometry_header.F90 b/src/geometry_header.F90 index 93863865c4..93e5dd1fdb 100644 --- a/src/geometry_header.F90 +++ b/src/geometry_header.F90 @@ -1,5 +1,7 @@ module geometry_header + use constants, only: HALF, TWO, THREE + implicit none !=============================================================================== @@ -7,45 +9,124 @@ module geometry_header !=============================================================================== type Universe - integer :: id ! Unique ID - integer :: type ! Type - integer :: n_cells ! # of cells within - integer, allocatable :: cells(:) ! List of cells within - real(8) :: x0 ! Translation in x-coordinate - real(8) :: y0 ! Translation in y-coordinate - real(8) :: z0 ! Translation in z-coordinate + integer :: id ! Unique ID + integer :: type ! Type + integer :: n_cells ! # of cells within + integer, allocatable :: cells(:) ! List of cells within + real(8) :: x0 ! Translation in x-coordinate + real(8) :: y0 ! Translation in y-coordinate + real(8) :: z0 ! Translation in z-coordinate end type Universe !=============================================================================== -! LATTICE is an ordered array of elements (either rectangular, hexagonal, or -! triangular) +! LATTICE abstract type for ordered array of universes. !=============================================================================== - type Lattice - integer :: id ! Universe number for lattice - integer :: type ! Type of lattice (rectangular, hex, etc) - integer :: level ! Level of lattice - integer :: n_dimension ! Number of dimensions - integer, allocatable :: dimension(:) ! number of cells in each direction - real(8), allocatable :: lower_left(:) ! lower-left corner of lattice - real(8), allocatable :: width(:) ! width of each lattice cell - integer, allocatable :: universes(:,:,:) ! specified universes - integer :: outside ! material to fill area outside + type, abstract :: Lattice + integer :: id ! Universe number for lattice + character(len=52) :: name = "" ! User-defined name + real(8), allocatable :: pitch(:) ! Pitch along each axis + integer, allocatable :: universes(:,:,:) ! Specified universes + integer :: outside ! Material to fill area outside + integer :: outer ! universe to tile outside the lat + logical :: is_3d ! Lattice has cells on z axis + integer, allocatable :: offset(:,:,:,:) ! Distribcell offsets + + contains + + procedure(are_valid_indices_), deferred :: are_valid_indices + procedure(get_indices_), deferred :: get_indices + procedure(get_local_xyz_), deferred :: get_local_xyz end type Lattice + abstract interface + +!=============================================================================== +! ARE_VALID_INDICES returns .true. if the given lattice indices fit within the +! bounds of the lattice. Returns false otherwise. + + function are_valid_indices_(this, i_xyz) result(is_valid) + import Lattice + class(Lattice), intent(in) :: this + integer, intent(in) :: i_xyz(3) + logical :: is_valid + end function are_valid_indices_ + +!=============================================================================== +! GET_INDICES returns the indices in a lattice for the given global xyz. + + function get_indices_(this, global_xyz) result(i_xyz) + import Lattice + class(Lattice), intent(in) :: this + real(8), intent(in) :: global_xyz(3) + integer :: i_xyz(3) + end function get_indices_ + +!=============================================================================== +! GET_LOCAL_XYZ returns the translated local version of the given global xyz. + + function get_local_xyz_(this, global_xyz, i_xyz) result(local_xyz) + import Lattice + class(Lattice), intent(in) :: this + real(8), intent(in) :: global_xyz(3) + integer, intent(in) :: i_xyz(3) + real(8) :: local_xyz(3) + end function get_local_xyz_ + end interface + +!=============================================================================== +! RECTLATTICE extends LATTICE for rectilinear arrays. +!=============================================================================== + + type, extends(Lattice) :: RectLattice + integer :: n_cells(3) ! Number of cells along each axis + real(8), allocatable :: lower_left(:) ! Global lower-left corner of lat + + contains + + procedure :: are_valid_indices => valid_inds_rect + procedure :: get_indices => get_inds_rect + procedure :: get_local_xyz => get_local_rect + end type RectLattice + +!=============================================================================== +! HEXLATTICE extends LATTICE for hexagonal (sometimes called triangular) arrays. +!=============================================================================== + + type, extends(Lattice) :: HexLattice + integer :: n_rings ! Number of radial ring cell positoins + integer :: n_axial ! Number of axial cell positions + real(8), allocatable :: center(:) ! Global center of lattice + + contains + + procedure :: are_valid_indices => valid_inds_hex + procedure :: get_indices => get_inds_hex + procedure :: get_local_xyz => get_local_hex + end type HexLattice + +!=============================================================================== +! LATTICECONTAINER pointer array for storing lattices +!=============================================================================== + + type LatticeContainer + class(Lattice), allocatable :: obj + end type LatticeContainer + !=============================================================================== ! SURFACE type defines a first- or second-order surface that can be used to ! construct closed volumes (cells) !=============================================================================== type Surface - integer :: id ! Unique ID - integer :: type ! Type of surface - real(8), allocatable :: coeffs(:) ! Definition of surface - integer, allocatable :: & - neighbor_pos(:), & ! List of cells on positive side - neighbor_neg(:) ! List of cells on negative side - integer :: bc ! Boundary condition + integer :: id ! Unique ID + character(len=52) :: name = "" ! User-defined name + integer :: type ! Type of surface + real(8), allocatable :: coeffs(:) ! Definition of surface + integer, allocatable :: & + neighbor_pos(:), & ! List of cells on positive side + neighbor_neg(:) ! List of cells on negative side + integer :: bc ! Boundary condition end type Surface !=============================================================================== @@ -53,23 +134,194 @@ module geometry_header !=============================================================================== type Cell - integer :: id ! Unique ID - integer :: type ! Type of cell (normal, universe, lattice) - integer :: universe ! universe # this cell is in - integer :: fill ! universe # filling this cell - integer :: material ! Material within cell (0 for universe) - integer :: n_surfaces ! Number of surfaces within - integer, allocatable :: & - & surfaces(:) ! List of surfaces bounding cell -- note that - ! parentheses, union, etc operators will be listed - ! here too + integer :: id ! Unique ID + character(len=52) :: name = "" ! User-defined name + integer :: type ! Type of cell (normal, universe, + ! lattice) + integer :: universe ! universe # this cell is in + integer :: fill ! universe # filling this cell + integer :: instances ! number of instances of this cell in + ! the geom + integer :: material ! Material within cell (0 for + ! universe) + integer :: n_surfaces ! Number of surfaces within + integer, allocatable :: offset (:) ! Distribcell offset for tally + ! counter + integer, allocatable :: & + & surfaces(:) ! List of surfaces bounding cell + ! -- note that parentheses, union, + ! etc operators will be listed here + ! too - ! Rotation matrix and translation vector - real(8), allocatable :: rotation(:,:) - real(8), allocatable :: translation(:) + ! Rotation matrix and translation vector + real(8), allocatable :: translation(:) + real(8), allocatable :: rotation(:) + real(8), allocatable :: rotation_matrix(:,:) end type Cell ! array index of universe 0 integer :: BASE_UNIVERSE +contains + +!=============================================================================== + + function valid_inds_rect(this, i_xyz) result(is_valid) + class(RectLattice), intent(in) :: this + integer, intent(in) :: i_xyz(3) + logical :: is_valid + + is_valid = all(i_xyz > 0 .and. i_xyz <= this % n_cells) + end function valid_inds_rect + +!=============================================================================== + + function valid_inds_hex(this, i_xyz) result(is_valid) + class(HexLattice), intent(in) :: this + integer, intent(in) :: i_xyz(3) + logical :: is_valid + + is_valid = (all(i_xyz > 0) .and. & + &i_xyz(1) < 2*this % n_rings .and. & + &i_xyz(2) < 2*this % n_rings .and. & + &i_xyz(1) + i_xyz(2) > this % n_rings .and. & + &i_xyz(1) + i_xyz(2) < 3*this % n_rings .and. & + &i_xyz(3) <= this % n_axial) + end function valid_inds_hex + +!=============================================================================== + + function get_inds_rect(this, global_xyz) result(i_xyz) + class(RectLattice), intent(in) :: this + real(8), intent(in) :: global_xyz(3) + integer :: i_xyz(3) + + real(8) :: xyz(3) ! global_xyz alias + + xyz = global_xyz + + i_xyz(1) = ceiling((xyz(1) - this % lower_left(1))/this % pitch(1)) + i_xyz(2) = ceiling((xyz(2) - this % lower_left(2))/this % pitch(2)) + if (this % is_3d) then + i_xyz(3) = ceiling((xyz(3) - this % lower_left(3))/this % pitch(3)) + else + i_xyz(3) = 1 + end if + end function get_inds_rect + +!=============================================================================== + + function get_inds_hex(this, global_xyz) result(i_xyz) + class(HexLattice), intent(in) :: this + real(8), intent(in) :: global_xyz(3) + integer :: i_xyz(3) + + real(8) :: xyz(3) ! global_xyz alias + real(8) :: alpha ! Skewed coord axis + real(8) :: xyz_t(3) ! Local xyz + real(8) :: dists(4) ! Squared distances from cell centers + integer :: i, j, k ! Iterators + integer :: loc(1) ! Minimum distance index + + xyz = global_xyz + + ! Index z direction. + if (this % is_3d) then + i_xyz(3) = ceiling((xyz(3) - this % center(3))/this % pitch(2) + HALF)& + + this % n_axial/2 + else + i_xyz(3) = 1 + end if + + ! Convert coordinates into skewed bases. The (x, alpha) basis is used to + ! find the index of the global coordinates to within 4 cells. + alpha = xyz(2) - xyz(1) / sqrt(THREE) + i_xyz(1) = floor(xyz(1) / (sqrt(THREE) / TWO * this % pitch(1))) + i_xyz(2) = floor(alpha / this % pitch(1)) + + ! Add offset to indices (the center cell is (i_x, i_alpha) = (0, 0) but + ! the array is offset so that the indices never go below 1). + i_xyz(1) = i_xyz(1) + this % n_rings + i_xyz(2) = i_xyz(2) + this % n_rings + + ! Calculate the (squared) distance between the particle and the centers of + ! the four possible cells. Regular hexagonal tiles form a centroidal + ! Voronoi tessellation so the global xyz should be in the hexagonal cell + ! that it is closest to the center of. This method is used over a + ! method that uses the remainders of the floor divisions above becasue it + ! provides better finite precision performance. Squared distances are + ! used becasue they are more computationally efficient than normal + ! distances. + k = 1 + do i=0,1 + do j=0,1 + xyz_t = this % get_local_xyz(xyz, i_xyz + (/j, i, 0/)) + dists(k) = xyz_t(1)**2 + xyz_t(2)**2 + k = k + 1 + end do + end do + + ! Select the minimum squared distance which corresponds to the cell the + ! coordinates are in. + loc = minloc(dists) + if (loc(1) == 2) then + i_xyz = i_xyz + (/1, 0, 0/) + else if (loc(1) == 3) then + i_xyz = i_xyz + (/0, 1, 0/) + else if (loc(1) == 4) then + i_xyz = i_xyz + (/1, 1, 0/) + end if + end function get_inds_hex + +!=============================================================================== + + function get_local_rect(this, global_xyz, i_xyz) result(local_xyz) + class(RectLattice), intent(in) :: this + real(8), intent(in) :: global_xyz(3) + integer, intent(in) :: i_xyz(3) + real(8) :: local_xyz(3) + + real(8) :: xyz(3) ! global_xyz alias + + xyz = global_xyz + + local_xyz(1) = xyz(1) - (this % lower_left(1) + & + (i_xyz(1) - HALF)*this % pitch(1)) + local_xyz(2) = xyz(2) - (this % lower_left(2) + & + (i_xyz(2) - HALF)*this % pitch(2)) + if (this % is_3d) then + local_xyz(3) = xyz(3) - (this % lower_left(3) + & + (i_xyz(3) - HALF)*this % pitch(3)) + else + local_xyz(3) = xyz(3) + end if + end function get_local_rect + +!=============================================================================== + + function get_local_hex(this, global_xyz, i_xyz) result(local_xyz) + class(HexLattice), intent(in) :: this + real(8), intent(in) :: global_xyz(3) + integer, intent(in) :: i_xyz(3) + real(8) :: local_xyz(3) + + real(8) :: xyz(3) ! global_xyz alias + + xyz = global_xyz + + ! x_l = x_g - (center + pitch_x*cos(30)*index_x) + local_xyz(1) = xyz(1) - (this % center(1) + & + sqrt(THREE) / TWO * (i_xyz(1) - this % n_rings) * this % pitch(1)) + ! y_l = y_g - (center + pitch_x*index_x + pitch_y*sin(30)*index_y) + local_xyz(2) = xyz(2) - (this % center(2) + & + (i_xyz(2) - this % n_rings) * this % pitch(1) + & + (i_xyz(1) - this % n_rings) * this % pitch(1) / TWO) + if (this % is_3d) then + local_xyz(3) = xyz(3) - this % center(3) & + + (this % n_axial/2 - i_xyz(3) + 1) * this % pitch(2) + else + local_xyz(3) = xyz(3) + end if + end function get_local_hex + end module geometry_header diff --git a/src/global.F90 b/src/global.F90 index ec11216608..a5ff7453ea 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -6,18 +6,22 @@ module global use cmfd_header use constants use dict_header, only: DictCharInt, DictIntInt - use geometry_header, only: Cell, Universe, Lattice, Surface + use geometry_header, only: Cell, Universe, Lattice, LatticeContainer, Surface use material_header, only: Material use mesh_header, only: StructuredMesh use plot_header, only: ObjectPlot use set_header, only: SetInt use source_header, only: ExtSource use tally_header, only: TallyObject, TallyMap, TallyResult + use trigger_header, only: KTrigger use timer_header, only: Timer #ifdef HDF5 use hdf5_interface, only: HID_T #endif +#ifdef MPIF08 + use mpi_f08 +#endif implicit none save @@ -26,12 +30,12 @@ module global ! GEOMETRY-RELATED VARIABLES ! Main arrays - type(Cell), allocatable, target :: cells(:) - type(Universe), allocatable, target :: universes(:) - type(Lattice), allocatable, target :: lattices(:) - type(Surface), allocatable, target :: surfaces(:) - type(Material), allocatable, target :: materials(:) - type(ObjectPlot),allocatable, target :: plots(:) + type(Cell), allocatable, target :: cells(:) + type(Universe), allocatable, target :: universes(:) + type(LatticeContainer), allocatable, target :: lattices(:) + type(Surface), allocatable, target :: surfaces(:) + type(Material), allocatable, target :: materials(:) + type(ObjectPlot), allocatable, target :: plots(:) ! Size of main arrays integer :: n_cells ! # of cells @@ -111,11 +115,24 @@ module global ! Global tallies ! 1) collision estimate of k-eff - ! 2) track-length estimate of k-eff - ! 3) leakage fraction + ! 2) absorption estimate of k-eff + ! 3) track-length estimate of k-eff + ! 4) leakage fraction type(TallyResult), allocatable, target :: global_tallies(:) + ! It is possible to protect accumulate operations on global tallies by using + ! an atomic update. However, when multiple threads accumulate to the same + ! global tally, it can cause a higher cache miss rate due to + ! invalidation. Thus, we use threadprivate variables to accumulate global + ! tallies and then reduce at the end of a generation. + real(8) :: global_tally_collision = ZERO + real(8) :: global_tally_absorption = ZERO + real(8) :: global_tally_tracklength = ZERO + real(8) :: global_tally_leakage = ZERO +!$omp threadprivate(global_tally_collision, global_tally_absorption, & +!$omp& global_tally_tracklength, global_tally_leakage) + ! Tally map structure type(TallyMap), allocatable :: tally_maps(:) @@ -150,6 +167,16 @@ module global integer :: current_gen = 0 ! current generation within a batch integer :: overall_gen = 0 ! overall generation in the run + ! ============================================================================ + ! TALLY PRECISION TRIGGER VARIABLES + + integer :: n_max_batches ! max # of batches + integer :: n_batch_interval = 1 ! batch interval for triggers + logical :: pred_batches = .false. ! predict batches for triggers + logical :: trigger_on = .false. ! flag for turning triggers on/off + type(KTrigger) :: keff_trigger ! trigger for k-effective + logical :: satisfy_triggers = .false. ! whether triggers are satisfied + ! External source type(ExtSource), target :: external_source @@ -201,8 +228,13 @@ module global logical :: master = .true. ! master process? logical :: mpi_enabled = .false. ! is MPI in use and initialized? integer :: mpi_err ! MPI error code +#ifdef MPIF08 + type(MPI_Datatype) :: MPI_BANK + type(MPI_Datatype) :: MPI_TALLYRESULT +#else integer :: MPI_BANK ! MPI datatype for fission bank integer :: MPI_TALLYRESULT ! MPI datatype for TallyResult +#endif #ifdef _OPENMP integer :: n_threads = NONE ! number of OpenMP threads @@ -218,6 +250,7 @@ module global type(Timer) :: time_total ! timer for total run type(Timer) :: time_initialize ! timer for initialization type(Timer) :: time_read_xs ! timer for reading cross sections + type(Timer) :: time_unionize ! timer for material xs-energy grid union type(Timer) :: time_bank ! timer for fission bank synchronization type(Timer) :: time_bank_sample ! timer for fission bank sampling type(Timer) :: time_bank_sendrecv ! timer for fission bank SEND/RECV @@ -231,8 +264,8 @@ module global ! VARIANCE REDUCTION VARIABLES logical :: survival_biasing = .false. - real(8) :: weight_cutoff = 0.25 - real(8) :: weight_survive = 1.0 + real(8) :: weight_cutoff = 0.25_8 + real(8) :: weight_survive = ONE ! ============================================================================ ! HDF5 VARIABLES @@ -290,6 +323,9 @@ module global ! Particle restart run logical :: particle_restart_run = .false. + ! Number of distribcell maps + integer :: n_maps + ! Write out initial source logical :: write_initial_source = .false. @@ -302,9 +338,6 @@ module global ! Is CMFD active logical :: cmfd_run = .false. - ! CMFD communicator - integer :: cmfd_comm - ! Timing objects type(Timer) :: time_cmfd ! timer for whole cmfd calculation type(Timer) :: time_cmfdbuild ! timer for matrix build @@ -323,9 +356,6 @@ module global integer :: n_cmfd_meshes = 1 ! # of structured meshes integer :: n_cmfd_tallies = 3 ! # of user-defined tallies - ! Eigenvalue solver type - character(len=10) :: cmfd_solver_type = 'power' - ! Adjoint method type character(len=10) :: cmfd_adjoint_type = 'physical' @@ -343,8 +373,6 @@ module global logical :: cmfd_downscatter = .false. ! Convergence monitoring - logical :: cmfd_snes_monitor = .false. - logical :: cmfd_ksp_monitor = .false. logical :: cmfd_power_monitor = .false. ! Cmfd output @@ -501,9 +529,9 @@ contains ! Deallocate entropy mesh if (associated(entropy_mesh)) then if (allocated(entropy_mesh % lower_left)) & - deallocate(entropy_mesh % lower_left) + deallocate(entropy_mesh % lower_left) if (allocated(entropy_mesh % upper_right)) & - deallocate(entropy_mesh % upper_right) + deallocate(entropy_mesh % upper_right) if (allocated(entropy_mesh % width)) deallocate(entropy_mesh % width) deallocate(entropy_mesh) end if @@ -513,7 +541,7 @@ contains if (associated(ufs_mesh)) then if (allocated(ufs_mesh % lower_left)) deallocate(ufs_mesh % lower_left) if (allocated(ufs_mesh % upper_right)) & - deallocate(ufs_mesh % upper_right) + deallocate(ufs_mesh % upper_right) if (allocated(ufs_mesh % width)) deallocate(ufs_mesh % width) deallocate(ufs_mesh) end if diff --git a/src/hdf5_interface.F90 b/src/hdf5_interface.F90 index c61880780a..34b72196ee 100644 --- a/src/hdf5_interface.F90 +++ b/src/hdf5_interface.F90 @@ -7,7 +7,7 @@ module hdf5_interface use, intrinsic :: ISO_C_BINDING #ifdef MPI - use mpi, only: MPI_COMM_WORLD, MPI_INFO_NULL + use message_passing, only: MPI_COMM_WORLD, MPI_INFO_NULL #endif implicit none @@ -149,7 +149,12 @@ contains ! Setup file access property list with parallel I/O access call h5pcreate_f(H5P_FILE_ACCESS_F, plist, hdf5_err) +#ifdef MPIF08 + call h5pset_fapl_mpio_f(plist, MPI_COMM_WORLD%MPI_VAL, & + MPI_INFO_NULL%MPI_VAL, hdf5_err) +#else call h5pset_fapl_mpio_f(plist, MPI_COMM_WORLD, MPI_INFO_NULL, hdf5_err) +#endif ! Create the file collectively call h5fcreate_f(trim(filename), H5F_ACC_TRUNC_F, file_id, hdf5_err, & @@ -174,7 +179,12 @@ contains ! Setup file access property list with parallel I/O access call h5pcreate_f(H5P_FILE_ACCESS_F, plist, hdf5_err) +#ifdef MPIF08 + call h5pset_fapl_mpio_f(plist, MPI_COMM_WORLD%MPI_VAL, & + MPI_INFO_NULL%MPI_VAL, hdf5_err) +#else call h5pset_fapl_mpio_f(plist, MPI_COMM_WORLD, MPI_INFO_NULL, hdf5_err) +#endif ! Determine access type open_mode = H5F_ACC_RDONLY_F @@ -206,7 +216,7 @@ contains logical :: status ! does the group exist ! Check if group exists - call h5ltpath_valid_f(hdf5_fh, trim(group), .true., status, hdf5_err) + call h5ltpath_valid_f(hdf5_fh, trim(group), .true., status, hdf5_err) ! Either create or open group if (status) then @@ -257,7 +267,7 @@ contains integer(HID_T), intent(in) :: group ! name of group character(*), intent(in) :: name ! name of data - integer, intent(inout) :: buffer ! read data to here + integer, intent(inout) :: buffer ! read data to here integer :: buffer_copy(1) ! need an array for read @@ -461,7 +471,7 @@ contains integer(HID_T), intent(in) :: group ! name of group character(*), intent(in) :: name ! name of data - real(8), intent(inout) :: buffer ! read data to here + real(8), intent(inout) :: buffer ! read data to here real(8) :: buffer_copy(1) ! need an array for read @@ -726,7 +736,7 @@ contains call h5dcreate_f(group, name, H5T_STRING, dspace, dset, hdf5_err) ! Set up dimesnions of string to write - dims2 = (/length, 1/) ! full array of strings to write + dims2 = (/length, 1/) ! full array of strings to write dims1(1) = length ! length of string ! Copy over string buffer to a rank 1 array @@ -760,7 +770,7 @@ contains ! character(len=length, kind=c_char), pointer :: chr_ptr ! f_ptr = c_loc(buf_ptr(1)) ! call h5dread_f(dset, H5T_STRING, f_ptr, hdf5_err, xfer_prp=plist) -! call c_f_pointer(buf_ptr(1), chr_ptr) +! call c_f_pointer(buf_ptr(1), chr_ptr) ! buffer = chr_ptr ! nullify(chr_ptr) @@ -838,7 +848,7 @@ contains f_ptr = c_loc(buffer) call h5dwrite_f(dset, H5T_NATIVE_INTEGER, f_ptr, hdf5_err, xfer_prp=plist) - ! Close all + ! Close all call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) call h5pclose_f(plist, hdf5_err) @@ -916,7 +926,7 @@ contains f_ptr = c_loc(buffer) call h5dwrite_f(dset, H5T_NATIVE_INTEGER, f_ptr, hdf5_err, xfer_prp=plist) - ! Close all + ! Close all call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) call h5pclose_f(plist, hdf5_err) @@ -996,7 +1006,7 @@ contains f_ptr = c_loc(buffer) call h5dwrite_f(dset, H5T_NATIVE_INTEGER, f_ptr, hdf5_err, xfer_prp=plist) - ! Close all + ! Close all call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) call h5pclose_f(plist, hdf5_err) @@ -1077,7 +1087,7 @@ contains f_ptr = c_loc(buffer) call h5dwrite_f(dset, H5T_NATIVE_INTEGER, f_ptr, hdf5_err, xfer_prp=plist) - ! Close all + ! Close all call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) call h5pclose_f(plist, hdf5_err) @@ -1159,7 +1169,7 @@ contains f_ptr = c_loc(buffer) call h5dwrite_f(dset, H5T_NATIVE_INTEGER, f_ptr, hdf5_err, xfer_prp=plist) - ! Close all + ! Close all call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) call h5pclose_f(plist, hdf5_err) @@ -1238,7 +1248,7 @@ contains f_ptr = c_loc(buffer) call h5dwrite_f(dset, H5T_NATIVE_DOUBLE, f_ptr, hdf5_err, xfer_prp=plist) - ! Close all + ! Close all call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) call h5pclose_f(plist, hdf5_err) @@ -1316,7 +1326,7 @@ contains f_ptr = c_loc(buffer) call h5dwrite_f(dset, H5T_NATIVE_DOUBLE, f_ptr, hdf5_err, xfer_prp=plist) - ! Close all + ! Close all call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) call h5pclose_f(plist, hdf5_err) @@ -1396,7 +1406,7 @@ contains f_ptr = c_loc(buffer(1,1)) call h5dwrite_f(dset, H5T_NATIVE_DOUBLE, f_ptr, hdf5_err, xfer_prp=plist) - ! Close all + ! Close all call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) call h5pclose_f(plist, hdf5_err) @@ -1477,7 +1487,7 @@ contains f_ptr = c_loc(buffer) call h5dwrite_f(dset, H5T_NATIVE_DOUBLE, f_ptr, hdf5_err, xfer_prp=plist) - ! Close all + ! Close all call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) call h5pclose_f(plist, hdf5_err) @@ -1559,7 +1569,7 @@ contains f_ptr = c_loc(buffer) call h5dwrite_f(dset, H5T_NATIVE_DOUBLE, f_ptr, hdf5_err, xfer_prp=plist) - ! Close all + ! Close all call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) call h5pclose_f(plist, hdf5_err) @@ -1639,7 +1649,7 @@ contains f_ptr = c_loc(buffer) call h5dwrite_f(dset, long_type, f_ptr, hdf5_err, xfer_prp=plist) - ! Close all + ! Close all call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) call h5pclose_f(plist, hdf5_err) @@ -1726,7 +1736,7 @@ contains call h5dcreate_f(group, name, H5T_STRING, dspace, dset, hdf5_err) ! Set up dimesnions of string to write - dims2 = (/length, 1/) ! full array of strings to write + dims2 = (/length, 1/) ! full array of strings to write dims1(1) = length ! length of string ! Copy over string buffer to a rank 1 array @@ -1762,7 +1772,7 @@ contains ! character(len=length, kind=c_char), pointer :: chr_ptr ! f_ptr = c_loc(buf_ptr(1)) ! call h5dread_f(dset, H5T_STRING, f_ptr, hdf5_err, xfer_prp=plist) -! call c_f_pointer(buf_ptr(1), chr_ptr) +! call c_f_pointer(buf_ptr(1), chr_ptr) ! buffer = chr_ptr ! nullify(chr_ptr) diff --git a/src/hdf5_summary.F90 b/src/hdf5_summary.F90 index fc4af5bc7b..375ab74601 100644 --- a/src/hdf5_summary.F90 +++ b/src/hdf5_summary.F90 @@ -5,7 +5,8 @@ module hdf5_summary use ace_header, only: Reaction, UrrData, Nuclide use constants use endf, only: reaction_name - use geometry_header, only: Cell, Surface, Universe, Lattice + use geometry_header, only: Cell, Surface, Universe, Lattice, RectLattice, & + &HexLattice use global use material_header, only: Material use mesh_header, only: StructuredMesh @@ -99,13 +100,11 @@ contains subroutine hdf5_write_geometry() integer :: i, j, k, m - integer :: n_x, n_y, n_z - integer :: length(3) integer, allocatable :: lattice_universes(:,:,:) type(Cell), pointer :: c => null() type(Surface), pointer :: s => null() type(Universe), pointer :: u => null() - type(Lattice), pointer :: lat => null() + class(Lattice), pointer :: lat => null() ! Use H5LT interface to write number of geometry objects call su % write_data(n_cells, "n_cells", group="geometry") @@ -124,6 +123,14 @@ contains CELL_LOOP: do i = 1, n_cells c => cells(i) + ! Write internal OpenMC index for this cell + call su % write_data(i, "index", & + group="geometry/cells/cell " // trim(to_str(c % id))) + + ! Write name for this cell + call su % write_data(c % name, "name", & + group="geometry/cells/cell " // trim(to_str(c % id))) + ! Write universe for this cell call su % write_data(universes(c % universe) % id, "universe", & group="geometry/cells/cell " // trim(to_str(c % id))) @@ -140,15 +147,45 @@ contains call su % write_data(materials(c % material) % id, "material", & group="geometry/cells/cell " // trim(to_str(c % id))) end if + case (CELL_FILL) call su % write_data("universe", "fill_type", & group="geometry/cells/cell " // trim(to_str(c % id))) - call su % write_data(universes(c % fill) % id, "material", & + call su % write_data(universes(c % fill) % id, "fill", & group="geometry/cells/cell " // trim(to_str(c % id))) + + call su % write_data(size(c % offset), "maps", & + group="geometry/cells/cell " // trim(to_str(c % id))) + if (size(c % offset) > 0) then + call su % write_data(c % offset, "offset", & + length=size(c % offset), & + group="geometry/cells/cell " // trim(to_str(c % id))) + end if + + if (allocated(c % translation)) then + call su % write_data(1, "translated", & + group="geometry/cells/cell " // trim(to_str(c % id))) + call su % write_data(c % translation, "translation", length=3, & + group="geometry/cells/cell " // trim(to_str(c % id))) + else + call su % write_data(0, "translated", & + group="geometry/cells/cell " // trim(to_str(c % id))) + end if + + if (allocated(c % rotation)) then + call su % write_data(1, "rotated", & + group="geometry/cells/cell " // trim(to_str(c % id))) + call su % write_data(c % rotation, "rotation", length=3, & + group="geometry/cells/cell " // trim(to_str(c % id))) + else + call su % write_data(0, "rotated", & + group="geometry/cells/cell " // trim(to_str(c % id))) + end if + case (CELL_LATTICE) call su % write_data("lattice", "fill_type", & group="geometry/cells/cell " // trim(to_str(c % id))) - call su % write_data(lattices(c % fill) % id, "lattice", & + call su % write_data(lattices(c % fill) % obj % id, "lattice", & group="geometry/cells/cell " // trim(to_str(c % id))) end select @@ -171,6 +208,14 @@ contains SURFACE_LOOP: do i = 1, n_surfaces s => surfaces(i) + ! Write internal OpenMC index for this surface + call su % write_data(i, "index", & + group="geometry/surfaces/surface " // trim(to_str(s % id))) + + ! Write name for this surface + call su % write_data(s % name, "name", & + group="geometry/surfaces/surface " // trim(to_str(s % id))) + ! Write surface type select case (s % type) case (SURF_PX) @@ -255,6 +300,10 @@ contains UNIVERSE_LOOP: do i = 1, n_universes u => universes(i) + ! Write internal OpenMC index for this universe + call su % write_data(i, "index", & + group="geometry/universes/universe " // trim(to_str(u % id))) + ! Write list of cells in this universe if (u % n_cells > 0) then call su % write_data(u % cells, "cells", length=u % n_cells, & @@ -272,52 +321,136 @@ contains ! Write information on each lattice LATTICE_LOOP: do i = 1, n_lattices - lat => lattices(i) + lat => lattices(i) % obj + + ! Write internal OpenMC index for this lattice + call su % write_data(i, "index", & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + + ! Write name for this lattice + call su % write_data(lat % name, "name", & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) ! Write lattice type - select case(lat % type) - case (LATTICE_RECT) + select type (lat) + type is (RectLattice) + ! Write lattice type. call su % write_data("rectangular", "type", & group="geometry/lattices/lattice " // trim(to_str(lat % id))) - case (LATTICE_HEX) - call su % write_data("hexagonal", "type", & + + ! Write lattice dimensions, lower left corner, and pitch + call su % write_data(lat % n_cells, "dimension", length=3, & group="geometry/lattices/lattice " // trim(to_str(lat % id))) - end select - ! Write lattice dimensions, lower left corner, and width of element - call su % write_data(lat % dimension, "dimension", & - length=lat % n_dimension, & - group="geometry/lattices/lattice " // trim(to_str(lat % id))) - call su % write_data(lat % lower_left, "lower_left", & - length=lat % n_dimension, & - group="geometry/lattices/lattice " // trim(to_str(lat % id))) - call su % write_data(lat % width, "width", & - length=lat % n_dimension, & - group="geometry/lattices/lattice " // trim(to_str(lat % id))) + if (lat % is_3d) then + call su % write_data(lat % lower_left, "lower_left", length=3, & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + else + call su % write_data(lat % lower_left, "lower_left", length=2, & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + end if - ! Determine dimensions of lattice - n_x = lat % dimension(1) - n_y = lat % dimension(2) - if (lat % n_dimension == 3) then - n_z = lat % dimension(3) - else - n_z = 1 - end if + if (lat % is_3d) then + call su % write_data(lat % pitch, "pitch", length=3, & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + else + call su % write_data(lat % pitch, "pitch", length=2, & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + end if - ! Write lattice universes - allocate(lattice_universes(n_x, n_y, n_z)) - do j = 1, n_x - do k = 1, n_y - do m = 1, n_z - lattice_universes(j,k,m) = universes(lat % universes(j,k,m)) % id + call su % write_data(lat % outer, "outer", & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + call su % write_data(size(lat % offset), "offset_size", & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + call su % write_data(size(lat % offset,1), "maps", & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + + if (size(lat % offset) > 0) then + call su % write_data(lat % offset, "offsets", & + length=shape(lat % offset), & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + end if + + ! Write lattice universes. + allocate(lattice_universes(lat % n_cells(1), lat % n_cells(2), & + &lat % n_cells(3))) + do j = 1, lat % n_cells(1) + do k = 1, lat % n_cells(2) + do m = 1, lat % n_cells(3) + lattice_universes(j,k,m) = universes(lat % universes(j,k,m)) % id + end do end do end do - end do - length = [n_x, n_y, n_z] - call su % write_data(lattice_universes, "universes", length=length, & - group="geometry/lattices/lattice " // trim(to_str(lat % id))) - deallocate(lattice_universes) + call su % write_data(lattice_universes, "universes", & + length=lat % n_cells, & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + deallocate(lattice_universes) + type is (HexLattice) + ! Write lattice type. + call su % write_data("hexagonal", "type", & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + + ! Write number of lattice cells. + call su % write_data(lat % n_rings, "n_rings", & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + call su % write_data(lat % n_axial, "n_axial", & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + + ! Write lattice center, pitch and outer universe. + if (lat % is_3d) then + call su % write_data(lat % center, "center", length=3, & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + else + call su % write_data(lat % center, "center", length=2, & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + end if + + if (lat % is_3d) then + call su % write_data(lat % pitch, "pitch", length=2, & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + else + call su % write_data(lat % pitch, "pitch", length=1, & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + end if + + call su % write_data(lat % outer, "outer", & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + call su % write_data(size(lat % offset), "offset_size", & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + call su % write_data(size(lat % offset,1), "maps", & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + + if (size(lat % offset) > 0) then + call su % write_data(lat % offset, "offsets", & + length=shape(lat % offset), & + group="geometry/lattices/lattice " // trim(to_str(lat % id))) + end if + + ! Write lattice universes. + allocate(lattice_universes(2*lat % n_rings - 1, 2*lat % n_rings - 1, & + &lat % n_axial)) + do m = 1, lat % n_axial + do k = 1, 2*lat % n_rings - 1 + do j = 1, 2*lat % n_rings - 1 + if (j + k < lat % n_rings + 1) then + ! This array position is never used; put a -1 to indicate this + lattice_universes(j,k,m) = -1 + cycle + else if (j + k > 3*lat % n_rings - 1) then + ! This array position is never used; put a -1 to indicate this + lattice_universes(j,k,m) = -1 + cycle + end if + lattice_universes(j,k,m) = universes(lat % universes(j,k,m)) % id + end do + end do + end do + call su % write_data(lattice_universes, "universes", & + &length=(/2*lat % n_rings-1, 2*lat % n_rings-1, lat % n_axial/), & + &group="geometry/lattices/lattice " // trim(to_str(lat % id))) + deallocate(lattice_universes) + end select end do LATTICE_LOOP end subroutine hdf5_write_geometry @@ -340,6 +473,14 @@ contains do i = 1, n_materials m => materials(i) + ! Write internal OpenMC index for this material + call su % write_data(i, "index", & + group="materials/material " // trim(to_str(m % id))) + + ! Write name for this material + call su % write_data(m % name, "name", & + group="materials/material " // trim(to_str(m % id))) + ! Write atom density with units call su % write_data(m % density, "atom_density", & group="materials/material " // trim(to_str(m % id))) @@ -365,6 +506,9 @@ contains group="materials/material " // trim(to_str(m % id))) ! Write S(a,b) information if present + call su % write_data(m % n_sab, "n_sab", & + group="materials/material " // trim(to_str(m % id))) + if (m % n_sab > 0) then call su % write_data(m % i_sab_nuclides, "i_sab_nuclides", & length=m % n_sab, & @@ -372,6 +516,12 @@ contains call su % write_data(m % i_sab_tables, "i_sab_tables", & length=m % n_sab, & group="materials/material " // trim(to_str(m % id))) + + do j = 1, m % n_sab + call su % write_data(m % sab_names(j), to_str(j), & + group="materials/material " // & + trim(to_str(m % id)) // "/sab_tables") + end do end if end do @@ -426,6 +576,14 @@ contains ! Get pointer to tally t => tallies(i) + ! Write the name for this tally + call su % write_data(len(t % name), "name_size", & + group="tallies/tally " // trim(to_str(t % id))) + if (len(t % name) > 0) then + call su % write_data(t % name, "name", & + group="tallies/tally " // trim(to_str(t % id))) + endif + ! Write size of each tally call su % write_data(t % total_score_bins, "total_score_bins", & group="tallies/tally " // trim(to_str(t % id))) @@ -489,12 +647,12 @@ contains // "/filter " // trim(to_str(j))) case(FILTER_ENERGYIN) call su % write_data("energy", "type_name", & - group="tallies/tally " // trim(to_str(t % id)) & - // "/filter " // trim(to_str(j))) + group="tallies/tally " // trim(to_str(t % id)) & + // "/filter " // trim(to_str(j))) case(FILTER_ENERGYOUT) call su % write_data("energyout", "type_name", & - group="tallies/tally " // trim(to_str(t % id)) & - // "/filter " // trim(to_str(j))) + group="tallies/tally " // trim(to_str(t % id)) & + // "/filter " // trim(to_str(j))) end select end do FILTER_LOOP @@ -550,6 +708,10 @@ contains NUCLIDE_LOOP: do i = 1, n_nuclides_total nuc => nuclides(i) + ! Write internal OpenMC index for this nuclide + call su % write_data(i, "index", & + group="nuclides/" // trim(nuc % name)) + ! Determine size of cross-sections size_xs = (5 + nuc % n_reaction) * nuc % n_grid * 8 size_total = size_xs @@ -557,6 +719,8 @@ contains ! Write some basic attributes call su % write_data(nuc % zaid, "zaid", & group="nuclides/" // trim(nuc % name)) + call su % write_data(xs_listings(nuc % listing) % alias, "alias", & + group="nuclides/" // trim(nuc % name)) call su % write_data(nuc % awr, "awr", & group="nuclides/" // trim(nuc % name)) call su % write_data(nuc % kT, "kT", & diff --git a/src/initialize.F90 b/src/initialize.F90 index 1ab34ca0bf..409d531a38 100644 --- a/src/initialize.F90 +++ b/src/initialize.F90 @@ -4,10 +4,13 @@ module initialize use bank_header, only: Bank use constants use dict_header, only: DictIntInt, ElemKeyValueII - use energy_grid, only: logarithmic_grid, grid_method + use set_header, only: SetInt + use energy_grid, only: logarithmic_grid, grid_method, unionized_grid use error, only: fatal_error, warning - use geometry, only: neighbor_lists - use geometry_header, only: Cell, Universe, Lattice, BASE_UNIVERSE + use geometry, only: neighbor_lists, count_instance, calc_offsets, & + maximum_levels + use geometry_header, only: Cell, Universe, Lattice, RectLattice, HexLattice,& + &BASE_UNIVERSE use global use input_xml, only: read_input_xml, read_cross_sections_xml, & cells_in_univ_dict, read_plots_xml @@ -20,11 +23,11 @@ module initialize use source, only: initialize_source use state_point, only: load_state_point use string, only: to_str, str_to_int, starts_with, ends_with - use tally_header, only: TallyObject, TallyResult + use tally_header, only: TallyObject, TallyResult, TallyFilter use tally_initialize, only: configure_tallies #ifdef MPI - use mpi + use message_passing #endif #ifdef _OPENMP @@ -91,10 +94,22 @@ contains ! Use dictionaries to redefine index pointers call adjust_indices() + ! Initialize distribcell_filters + call prepare_distribcell() + ! After reading input and basic geometry setup is complete, build lists of ! neighboring cells for efficient tracking call neighbor_lists() + ! Check to make sure there are not too many nested coordinate levels in the + ! geometry since the coordinate list is statically allocated for performance + ! reasons + if (maximum_levels(universes(BASE_UNIVERSE)) > MAX_COORD) then + call fatal_error("Too many nested coordinate levels in the geometry. & + &Try increasing the maximum number of coordinate levels by & + &providing the CMake -Dmaxcoord= option.") + end if + if (run_mode /= MODE_PLOTTING) then ! With the AWRs from the xs_listings, change all material specifications ! so that they contain atom percents summing to 1 @@ -108,10 +123,17 @@ contains ! Create linked lists for multiple instances of the same nuclide call same_nuclide_list() - ! Construct logarithmic energy grid for cross-sections - if (grid_method == GRID_LOGARITHM) then + ! Construct unionized or log energy grid for cross-sections + select case (grid_method) + case (GRID_NUCLIDE) + continue + case (GRID_MAT_UNION) + call time_unionize % start() + call unionized_grid() + call time_unionize % stop() + case (GRID_LOGARITHM) call logarithmic_grid() - end if + end select ! Allocate and setup tally stride, matching_bins, and tally maps call configure_tallies() @@ -173,11 +195,17 @@ contains subroutine initialize_mpi() integer :: bank_blocks(4) ! Count for each datatype +#ifdef MPIF08 + type(MPI_Datatype) :: bank_types(4) + type(MPI_Datatype) :: result_types(1) + type(MPI_Datatype) :: temp_type +#else integer :: bank_types(4) ! Datatypes - integer(MPI_ADDRESS_KIND) :: bank_disp(4) ! Displacements - integer :: temp_type ! temporary derived type - integer :: result_blocks(1) ! Count for each datatype integer :: result_types(1) ! Datatypes + integer :: temp_type ! temporary derived type +#endif + integer(MPI_ADDRESS_KIND) :: bank_disp(4) ! Displacements + integer :: result_blocks(1) ! Count for each datatype integer(MPI_ADDRESS_KIND) :: result_disp(1) ! Displacements integer(MPI_ADDRESS_KIND) :: result_base_disp ! Base displacement integer(MPI_ADDRESS_KIND) :: lower_bound ! Lower bound for TallyResult @@ -427,9 +455,6 @@ contains case ('-v', '-version', '--version') call print_version() stop - case ('-eps_tol', '-ksp_gmres_restart') - ! Handle options that would be based to PETSC - i = i + 1 case ('-t', '-track', '--track') write_all_tracks = .true. case default @@ -545,16 +570,15 @@ contains subroutine adjust_indices() - integer :: i ! index for various purposes - integer :: j ! index for various purposes - integer :: k ! loop index for lattices - integer :: m ! loop index for lattices - integer :: mid, lid ! material and lattice IDs - integer :: n_x, n_y, n_z ! size of lattice - integer :: i_array ! index in surfaces/materials array - integer :: id ! user-specified id + integer :: i ! index for various purposes + integer :: j ! index for various purposes + integer :: k ! loop index for lattices + integer :: m ! loop index for lattices + integer :: lid ! lattice IDs + integer :: i_array ! index in surfaces/materials array + integer :: id ! user-specified id type(Cell), pointer :: c => null() - type(Lattice), pointer :: lat => null() + class(Lattice), pointer :: lat => null() type(TallyObject), pointer :: t => null() do i = 1, n_cells @@ -607,18 +631,8 @@ contains c % fill = universe_dict % get_key(id) elseif (lattice_dict % has_key(id)) then lid = lattice_dict % get_key(id) - mid = lattices(lid) % outside c % type = CELL_LATTICE c % fill = lid - if (mid == MATERIAL_VOID) then - c % material = mid - else if (material_dict % has_key(mid)) then - c % material = material_dict % get_key(mid) - else - call fatal_error("Could not find material " // trim(to_str(mid)) & - &// " specified on lattice " // trim(to_str(lid))) - end if - else call fatal_error("Specified fill " // trim(to_str(id)) // " on cell "& &// trim(to_str(c % id)) // " is neither a universe nor a & @@ -631,28 +645,57 @@ contains ! ADJUST UNIVERSE INDICES FOR EACH LATTICE do i = 1, n_lattices - lat => lattices(i) - n_x = lat % dimension(1) - n_y = lat % dimension(2) - if (lat % n_dimension == 3) then - n_z = lat % dimension(3) - else - n_z = 1 - end if + lat => lattices(i) % obj + select type (lat) - do m = 1, n_z - do k = 1, n_y - do j = 1, n_x - id = lat % universes(j,k,m) - if (universe_dict % has_key(id)) then - lat % universes(j,k,m) = universe_dict % get_key(id) - else - call fatal_error("Invalid universe number " // trim(to_str(id)) & - &// " specified on lattice " // trim(to_str(lat % id))) - end if + type is (RectLattice) + do m = 1, lat % n_cells(3) + do k = 1, lat % n_cells(2) + do j = 1, lat % n_cells(1) + id = lat % universes(j,k,m) + if (universe_dict % has_key(id)) then + lat % universes(j,k,m) = universe_dict % get_key(id) + else + call fatal_error("Invalid universe number " & + &// trim(to_str(id)) // " specified on lattice " & + &// trim(to_str(lat % id))) + end if + end do end do end do - end do + + type is (HexLattice) + do m = 1, lat % n_axial + do k = 1, 2*lat % n_rings - 1 + do j = 1, 2*lat % n_rings - 1 + if (j + k < lat % n_rings + 1) then + cycle + else if (j + k > 3*lat % n_rings - 1) then + cycle + end if + id = lat % universes(j, k, m) + if (universe_dict % has_key(id)) then + lat % universes(j, k, m) = universe_dict % get_key(id) + else + call fatal_error("Invalid universe number " & + &// trim(to_str(id)) // " specified on lattice " & + &// trim(to_str(lat % id))) + end if + end do + end do + end do + + end select + + if (lat % outer /= NO_OUTER_UNIVERSE) then + if (universe_dict % has_key(lat % outer)) then + lat % outer = universe_dict % get_key(lat % outer) + else + call fatal_error("Invalid universe number " & + &// trim(to_str(lat % outer)) & + &// " specified on lattice " // trim(to_str(lat % id))) + end if + end if end do @@ -665,6 +708,17 @@ contains FILTER_LOOP: do j = 1, t % n_filters select case (t % filters(j) % type) + case (FILTER_DISTRIBCELL) + do k = 1, size(t % filters(j) % int_bins) + id = t % filters(j) % int_bins(k) + if (cell_dict % has_key(id)) then + t % filters(j) % int_bins(k) = cell_dict % get_key(id) + else + call fatal_error("Could not find cell " // trim(to_str(id)) // & + " specified on tally " // trim(to_str(t % id))) + end if + + end do case (FILTER_CELL, FILTER_CELLBORN) do k = 1, t % filters(j) % n_bins @@ -862,9 +916,9 @@ contains thread_id = omp_get_thread_num() if (thread_id == 0) then - allocate(fission_bank(3*work)) + allocate(fission_bank(3*work)) else - allocate(fission_bank(3*work/n_threads)) + allocate(fission_bank(3*work/n_threads)) end if !$omp end parallel allocate(master_fission_bank(3*work), STAT=alloc_err) @@ -879,4 +933,212 @@ contains end subroutine allocate_banks +!=============================================================================== +! PREPARE_DISTRIBCELL initializes any distribcell filters present and sets the +! offsets for distribcells +!=============================================================================== + + subroutine prepare_distribcell() + + integer :: i, j ! Tally, filter loop counters + integer :: n_filt ! Number of filters originally in tally + logical :: count_all ! Count all cells + type(TallyObject), pointer :: tally ! Current tally + type(Universe), pointer :: univ ! Pointer to universe + type(Cell), pointer :: c ! Pointer to cell + integer, allocatable :: univ_list(:) ! Target offsets + integer, allocatable :: counts(:,:) ! Target count + logical, allocatable :: found(:,:) ! Target found + + count_all = .false. + + ! Loop over tallies + do i = 1, n_tallies + + ! Get pointer to tally + tally => tallies(i) + + n_filt = tally % n_filters + + ! Loop over the filters to determine how many additional filters + ! need to be added to this tally + do j = 1, tally % n_filters + + ! Determine type of filter + if (tally % filters(j) % type == FILTER_DISTRIBCELL) then + count_all = .true. + if (size(tally % filters(j) % int_bins) > 1) then + call fatal_error("A distribcell filter was specified with & + &multiple bins. This feature is not supported.") + end if + end if + + end do + + end do + + if (count_all) then + + univ => universes(BASE_UNIVERSE) + + ! sum the number of occurrences of all cells + call count_instance(univ) + + ! Loop over tallies + do i = 1, n_tallies + + ! Get pointer to tally + tally => tallies(i) + + ! Initialize the filters + do j = 1, tally % n_filters + + ! Set the number of bins to the number of instances of the cell + if (tally % filters(j) % type == FILTER_DISTRIBCELL) then + c => cells(tally % filters(j) % int_bins(1)) + tally % filters(j) % n_bins = c % instances + end if + + end do + end do + + end if + + ! Allocate offset maps at each level in the geometry + call allocate_offsets(univ_list, counts, found) + + ! Calculate offsets for each target distribcell + do i = 1, n_maps + do j = 1, n_universes + univ => universes(j) + call calc_offsets(univ_list(i), i, univ, counts, found) + end do + end do + + ! Deallocate temporary target variable arrays + deallocate(counts) + deallocate(found) + deallocate(univ_list) + + end subroutine prepare_distribcell + +!=============================================================================== +! ALLOCATE_OFFSETS determines the number of maps needed and allocates required +! memory for distribcell offset tables +!=============================================================================== + + recursive subroutine allocate_offsets(univ_list, counts, found) + + integer, intent(out), allocatable :: univ_list(:) ! Target offsets + integer, intent(out), allocatable :: counts(:,:) ! Target count + logical, intent(out), allocatable :: found(:,:) ! Target found + + integer :: i, j, k, l, m ! Loop counters + type(SetInt) :: cell_list ! distribells to track + type(Universe), pointer :: univ ! pointer to universe + class(Lattice), pointer :: lat ! pointer to lattice + type(TallyObject), pointer :: tally ! pointer to tally + type(TallyFilter), pointer :: filter ! pointer to filter + + ! Begin gathering list of cells in distribcell tallies + n_maps = 0 + + ! Populate list of distribcells to track + do i = 1, n_tallies + tally => tallies(i) + + do j = 1, tally % n_filters + filter => tally % filters(j) + + if (filter % type == FILTER_DISTRIBCELL) then + if (.not. cell_list % contains(filter % int_bins(1))) then + call cell_list % add(filter % int_bins(1)) + end if + end if + + end do + end do + + ! Compute the number of unique universes containing these distribcells + ! to determine the number of offset tables to allocate + do i = 1, n_universes + univ => universes(i) + do j = 1, univ % n_cells + if (cell_list % contains(univ % cells(j))) then + n_maps = n_maps + 1 + end if + end do + end do + + ! Allocate the list of offset tables for each unique universe + allocate(univ_list(n_maps)) + + ! Allocate list to accumulate target distribccell counts in each universe + allocate(counts(n_universes, n_maps)) + + ! Allocate list to track if target distribcells are found in each universe + allocate(found(n_universes, n_maps)) + + counts(:,:) = 0 + found(:,:) = .false. + k = 1 + + do i = 1, n_universes + univ => universes(i) + + do j = 1, univ % n_cells + + if (cell_list % contains(univ % cells(j))) then + + ! Loop over all tallies + do l = 1, n_tallies + tally => tallies(l) + + do m = 1, tally % n_filters + filter => tally % filters(m) + + ! Loop over only distribcell filters + ! If filter points to cell we just found, set offset index + if (filter % type == FILTER_DISTRIBCELL) then + if (filter % int_bins(1) == univ % cells(j)) then + filter % offset = k + end if + end if + + end do + end do + + univ_list(k) = univ % id + k = k + 1 + end if + end do + end do + + ! Allocate the offset tables for lattices + do i = 1, n_lattices + lat => lattices(i) % obj + + select type(lat) + + type is (RectLattice) + allocate(lat % offset(n_maps, lat % n_cells(1), lat % n_cells(2), & + lat % n_cells(3))) + type is (HexLattice) + allocate(lat % offset(n_maps, 2 * lat % n_rings - 1, & + 2 * lat % n_rings - 1, lat % n_axial)) + end select + + lat % offset(:, :, :, :) = 0 + + end do + + ! Allocate offset table for fill cells + do i = 1, n_cells + if (cells(i) % material == NONE) then + allocate(cells(i) % offset(n_maps)) + end if + end do + + end subroutine allocate_offsets + end module initialize diff --git a/src/input_xml.F90 b/src/input_xml.F90 index e5c21bdc1c..5c939a394f 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -5,7 +5,7 @@ module input_xml use dict_header, only: DictIntInt, ElemKeyValueCI use energy_grid, only: grid_method, n_log_bins use error, only: fatal_error, warning - use geometry_header, only: Cell, Surface, Lattice + use geometry_header, only: Cell, Surface, Lattice, RectLattice, HexLattice use global use list_header, only: ListChar, ListReal use mesh_header, only: StructuredMesh @@ -74,6 +74,8 @@ contains type(Node), pointer :: node_verb => null() type(Node), pointer :: node_res_scat => null() type(Node), pointer :: node_scatterer => null() + type(Node), pointer :: node_trigger => null() + type(Node), pointer :: node_keff_trigger => null() type(NodeList), pointer :: node_scat_list => null() ! Display output message @@ -125,6 +127,43 @@ contains path_output = trim(path_output) // "/" end if + ! Check for a trigger node and get trigger information + if (check_for_node(doc, "trigger")) then + call get_node_ptr(doc, "trigger", node_trigger) + + ! Check if trigger(s) are to be turned on + call get_node_value(node_trigger, "active", temp_str) + temp_str = trim(to_lower(temp_str)) + + if (temp_str == 'true' .or. temp_str == '1') then + trigger_on = .true. + elseif (temp_str == 'false' .or. temp_str == '0') then + trigger_on = .false. + else + call fatal_error("Unrecognized trigger active: " // temp_str) + end if + + if (trigger_on) then + + if (check_for_node(node_trigger, "max_batches") )then + call get_node_value(node_trigger, "max_batches", n_max_batches) + else + call fatal_error("The max_batches must be specified with triggers") + end if + + ! Get the batch interval to check triggers + if (.not. check_for_node(node_trigger, "batch_interval"))then + pred_batches = .true. + else + call get_node_value(node_trigger, "batch_interval", temp_int) + n_batch_interval = temp_int + if (n_batch_interval <= 0) then + call fatal_error("The batch interval must be greater than zero") + end if + end if + end if + end if + ! Make sure that either eigenvalue or fixed source was specified if (.not.check_for_node(doc, "eigenvalue") .and. & .not.check_for_node(doc, "fixed_source")) then @@ -151,8 +190,13 @@ contains ! don't set it here if (n_particles == 0) n_particles = temp_long - ! Copy batch and generation information + ! Get number of basic batches call get_node_value(node_mode, "batches", n_batches) + if (.not. trigger_on) then + n_max_batches = n_batches + end if + + ! Get number of inactive batches call get_node_value(node_mode, "inactive", n_inactive) n_active = n_batches - n_inactive if (check_for_node(node_mode, "generations_per_batch")) then @@ -160,9 +204,40 @@ contains end if ! Allocate array for batch keff and entropy - allocate(k_generation(n_batches*gen_per_batch)) - allocate(entropy(n_batches*gen_per_batch)) + allocate(k_generation(n_max_batches*gen_per_batch)) + allocate(entropy(n_max_batches*gen_per_batch)) entropy = ZERO + + ! Get the trigger information for keff + if (check_for_node(node_mode, "keff_trigger")) then + call get_node_ptr(node_mode, "keff_trigger", node_keff_trigger) + + if (check_for_node(node_keff_trigger, "type")) then + call get_node_value(node_keff_trigger, "type", temp_str) + temp_str = trim(to_lower(temp_str)) + + select case (temp_str) + case ('std_dev') + keff_trigger % trigger_type = STANDARD_DEVIATION + case ('variance') + keff_trigger % trigger_type = VARIANCE + case ('rel_err') + keff_trigger % trigger_type = RELATIVE_ERROR + case default + call fatal_error("Unrecognized keff trigger type " // temp_str) + end select + + else + call fatal_error("Specify keff trigger type in settings XML") + end if + + if (check_for_node(node_keff_trigger, "threshold")) then + call get_node_value(node_keff_trigger, "threshold", & + keff_trigger % threshold) + else + call fatal_error("Specify keff trigger threshold in settings XML") + end if + end if end if ! Fixed source calculation information @@ -187,6 +262,9 @@ contains ! Copy batch information call get_node_value(node_mode, "batches", n_batches) + if (.not. trigger_on) then + n_max_batches = n_batches + end if n_active = n_batches n_inactive = 0 gen_per_batch = 1 @@ -213,8 +291,11 @@ contains select case (trim(temp_str)) case ('nuclide') grid_method = GRID_NUCLIDE - case ('union') - call fatal_error("Union energy grid is no longer supported.") + case ('material-union', 'union') + grid_method = GRID_MAT_UNION + if (trim(temp_str) == 'union') & + call warning('Energy grids will be unionized by material. Global& + & energy grid unionization is no longer an allowed option.') case ('logarithm', 'logarithmic', 'log') grid_method = GRID_LOGARITHM case default @@ -391,7 +472,7 @@ contains ! Check for type of energy distribution type = '' if (check_for_node(node_dist, "type")) & - call get_node_value(node_dist, "type", type) + call get_node_value(node_dist, "type", type) select case (to_lower(type)) case ('monoenergetic') external_source % type_energy = SRC_ENERGY_MONO @@ -717,7 +798,7 @@ contains if (.not. source_separate) then do i = 1, n_source_points if (.not. statepoint_batch % contains(sourcepoint_batch % & - get_item(i))) then + get_item(i))) then call fatal_error('Sourcepoint batches are not a subset& & of statepoint batches.') end if @@ -730,7 +811,7 @@ contains call get_node_value(doc, "no_reduce", temp_str) temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - reduce_tallies = .false. + reduce_tallies = .false. end if ! Check if the user has specified to use confidence intervals for @@ -803,11 +884,11 @@ contains &// trim(to_str(i)) // " in settings.xml file!") end if call get_node_value(node_scatterer, "nuclide", & - nuclides_0K(i) % nuclide) + nuclides_0K(i) % nuclide) if (check_for_node(node_scatterer, "method")) then call get_node_value(node_scatterer, "method", & - nuclides_0K(i) % scheme) + nuclides_0K(i) % scheme) end if ! check to make sure xs name for which method is applied is given @@ -817,7 +898,7 @@ contains &// " given in cross_sections.xml") end if call get_node_value(node_scatterer, "xs_label", & - nuclides_0K(i) % name) + nuclides_0K(i) % name) ! check to make sure 0K xs name for which method is applied is given if (.not. check_for_node(node_scatterer, "xs_label_0K")) then @@ -825,11 +906,11 @@ contains &// trim(to_str(i)) // " given in cross_sections.xml") end if call get_node_value(node_scatterer, "xs_label_0K", & - nuclides_0K(i) % name_0K) + nuclides_0K(i) % name_0K) if (check_for_node(node_scatterer, "E_min")) then call get_node_value(node_scatterer, "E_min", & - nuclides_0K(i) % E_min) + nuclides_0K(i) % E_min) end if ! check that E_min is non-negative @@ -840,7 +921,7 @@ contains if (check_for_node(node_scatterer, "E_max")) then call get_node_value(node_scatterer, "E_max", & - nuclides_0K(i) % E_max) + nuclides_0K(i) % E_max) end if ! check that E_max is not less than E_min @@ -898,30 +979,29 @@ contains subroutine read_geometry_xml() - integer :: i, j, k, m + integer :: i, j, k, m, i_x, i_a, input_index integer :: n - integer :: n_x, n_y, n_z + integer :: n_x, n_y, n_z, n_rings, n_rlats, n_hlats integer :: universe_num integer :: n_cells_in_univ integer :: coeffs_reqd - integer :: mid - integer :: temp_int_array3(3) integer, allocatable :: temp_int_array(:) real(8) :: phi, theta, psi logical :: file_exists logical :: boundary_exists character(MAX_LINE_LEN) :: filename character(MAX_WORD_LEN) :: word - type(Cell), pointer :: c => null() - type(Surface), pointer :: s => null() - type(Lattice), pointer :: lat => null() + type(Cell), pointer :: c => null() + type(Surface), pointer :: s => null() + class(Lattice), pointer :: lat => null() type(Node), pointer :: doc => null() type(Node), pointer :: node_cell => null() type(Node), pointer :: node_surf => null() type(Node), pointer :: node_lat => null() type(NodeList), pointer :: node_cell_list => null() type(NodeList), pointer :: node_surf_list => null() - type(NodeList), pointer :: node_lat_list => null() + type(NodeList), pointer :: node_rlat_list => null() + type(NodeList), pointer :: node_hlat_list => null() ! Display output message call write_message("Reading geometry XML file...", 5) @@ -963,6 +1043,9 @@ contains do i = 1, n_cells c => cells(i) + ! Initialize the number of cell instances - this is a base case for distribcells + c % instances = 0 + ! Get pointer to i-th cell node call get_list_item(node_cell_list, i, node_cell) @@ -972,6 +1055,12 @@ contains else call fatal_error("Must specify id of cell in geometry XML file.") end if + + ! Copy cell name + if (check_for_node(node_cell, "name")) then + call get_node_value(node_cell, "name", c % name) + end if + if (check_for_node(node_cell, "universe")) then call get_node_value(node_cell, "universe", c % universe) else @@ -992,7 +1081,7 @@ contains ! Read material word = '' if (check_for_node(node_cell, "material")) & - call get_node_value(node_cell, "material", word) + call get_node_value(node_cell, "material", word) select case(to_lower(word)) case ('void') c % material = MATERIAL_VOID @@ -1053,14 +1142,15 @@ contains end if ! Copy rotation angles in x,y,z directions - call get_node_array(node_cell, "rotation", temp_int_array3) - phi = -temp_int_array3(1) * PI/180.0_8 - theta = -temp_int_array3(2) * PI/180.0_8 - psi = -temp_int_array3(3) * PI/180.0_8 + allocate(c % rotation(3)) + call get_node_array(node_cell, "rotation", c % rotation) + phi = -c % rotation(1) * PI/180.0_8 + theta = -c % rotation(2) * PI/180.0_8 + psi = -c % rotation(3) * PI/180.0_8 ! Calculate rotation matrix based on angles given - allocate(c % rotation(3,3)) - c % rotation = reshape((/ & + allocate(c % rotation_matrix(3,3)) + c % rotation_matrix = reshape((/ & cos(theta)*cos(psi), cos(theta)*sin(psi), -sin(theta), & -cos(phi)*sin(psi) + sin(phi)*sin(theta)*cos(psi), & cos(phi)*cos(psi) + sin(phi)*sin(theta)*sin(psi), & @@ -1150,10 +1240,15 @@ contains &// to_str(s % id)) end if + ! Copy surface name + if (check_for_node(node_surf, "name")) then + call get_node_value(node_surf, "name", s % name) + end if + ! Copy and interpret surface type word = '' if (check_for_node(node_surf, "type")) & - call get_node_value(node_surf, "type", word) + call get_node_value(node_surf, "type", word) select case(to_lower(word)) case ('x-plane') s % type = SURF_PX @@ -1211,7 +1306,7 @@ contains ! Boundary conditions word = '' if (check_for_node(node_surf, "boundary")) & - call get_node_value(node_surf, "boundary", word) + call get_node_value(node_surf, "boundary", word) select case (to_lower(word)) case ('transmission', 'transmit', '') s % bc = BC_TRANSMIT @@ -1241,17 +1336,23 @@ contains ! READ LATTICES FROM GEOMETRY.XML ! Get pointer to list of XML - call get_node_list(doc, "lattice", node_lat_list) + call get_node_list(doc, "lattice", node_rlat_list) + call get_node_list(doc, "hex_lattice", node_hlat_list) ! Allocate lattices array - n_lattices = get_list_size(node_lat_list) + n_rlats = get_list_size(node_rlat_list) + n_hlats = get_list_size(node_hlat_list) + n_lattices = n_rlats + n_hlats allocate(lattices(n_lattices)) - do i = 1, n_lattices - lat => lattices(i) + RECT_LATTICES: do i = 1, n_rlats + allocate(RectLattice::lattices(i) % obj) + lat => lattices(i) % obj + select type(lat) + type is (RectLattice) ! Get pointer to i-th lattice - call get_list_item(node_lat_list, i, node_lat) + call get_list_item(node_rlat_list, i, node_lat) ! ID of lattice if (check_for_node(node_lat, "id")) then @@ -1266,32 +1367,26 @@ contains &// to_str(lat % id)) end if - ! Read lattice type - word = '' - if (check_for_node(node_lat, "type")) & - call get_node_value(node_lat, "type", word) - select case (to_lower(word)) - case ('rect', 'rectangle', 'rectangular') - lat % type = LATTICE_RECT - case ('hex', 'hexagon', 'hexagonal') - lat % type = LATTICE_HEX - case default - call fatal_error("Invalid lattice type: " // trim(word)) - end select + ! Copy lattice name + if (check_for_node(node_lat, "name")) then + call get_node_value(node_lat, "name", lat % name) + end if ! Read number of lattice cells in each dimension n = get_arraysize_integer(node_lat, "dimension") - if (n /= 2 .and. n /= 3) then - call fatal_error("Lattice must be two or three dimensions.") + if (n == 2) then + call get_node_array(node_lat, "dimension", lat % n_cells(1:2)) + lat % n_cells(3) = 1 + lat % is_3d = .false. + else if (n == 3) then + call get_node_array(node_lat, "dimension", lat % n_cells) + lat % is_3d = .true. + else + call fatal_error("Rectangular lattice must be two or three dimensions.") end if - lat % n_dimension = n - allocate(lat % dimension(n)) - call get_node_array(node_lat, "dimension", lat % dimension) - ! Read lattice lower-left location - if (size(lat % dimension) /= & - get_arraysize_double(node_lat, "lower_left")) then + if (get_arraysize_double(node_lat, "lower_left") /= n) then call fatal_error("Number of entries on must be the same & &as the number of entries on .") end if @@ -1299,24 +1394,42 @@ contains allocate(lat % lower_left(n)) call get_node_array(node_lat, "lower_left", lat % lower_left) - ! Read lattice widths - if (size(lat % dimension) /= & - get_arraysize_double(node_lat, "width")) then - call fatal_error("Number of entries on must be the same as & - &the number of entries on .") + ! Read lattice pitches. + ! TODO: Remove this deprecation warning in a future release. + if (check_for_node(node_lat, "width")) then + call warning("The use of 'width' is deprecated and will be disallowed & + &in a future release. Use 'pitch' instead. The utility openmc/& + &src/utils/update_inputs.py can be used to automatically update & + &geometry.xml files.") + if (get_arraysize_double(node_lat, "width") /= n) then + call fatal_error("Number of entries on must be the same as & + &the number of entries on .") + end if + + else if (get_arraysize_double(node_lat, "pitch") /= n) then + call fatal_error("Number of entries on must be the same as & + &the number of entries on .") end if - allocate(lat % width(n)) - call get_node_array(node_lat, "width", lat % width) + allocate(lat % pitch(n)) + ! TODO: Remove the 'width' code in a future release. + if (check_for_node(node_lat, "width")) then + call get_node_array(node_lat, "width", lat % pitch) + else + call get_node_array(node_lat, "pitch", lat % pitch) + end if + + ! TODO: Remove deprecation warning in a future release. + if (check_for_node(node_lat, "type")) then + call warning("The use of 'type' is no longer needed. The utility & + &openmc/src/utils/update_inputs.py can be used to automatically & + &update geometry.xml files.") + end if ! Copy number of dimensions - n_x = lat % dimension(1) - n_y = lat % dimension(2) - if (lat % n_dimension == 3) then - n_z = lat % dimension(3) - else - n_z = 1 - end if + n_x = lat % n_cells(1) + n_y = lat % n_cells(2) + n_z = lat % n_cells(3) allocate(lat % universes(n_x, n_y, n_z)) ! Check that number of universes matches size @@ -1334,27 +1447,210 @@ contains do k = 0, n_y - 1 do j = 1, n_x lat % universes(j, n_y - k, m) = & - temp_int_array(j + n_x*k + n_x*n_y*(m-1)) + &temp_int_array(j + n_x*k + n_x*n_y*(m-1)) end do end do end do deallocate(temp_int_array) - ! Read material for area outside lattice - lat % outside = MATERIAL_VOID + ! Read outer universe for area outside lattice. + lat % outer = NO_OUTER_UNIVERSE + if (check_for_node(node_lat, "outer")) then + call get_node_value(node_lat, "outer", lat % outer) + end if + + ! Check for 'outside' nodes which are no longer supported. if (check_for_node(node_lat, "outside")) then - call get_node_value(node_lat, "outside", mid) - if (mid == 0 .or. mid == MATERIAL_VOID) then - lat % outside = MATERIAL_VOID - else - lat % outside = mid - end if + call fatal_error("The use of 'outside' in lattices is no longer & + &supported. Instead, use 'outer' which defines a universe rather & + &than a material. The utility openmc/src/utils/update_inputs.py & + &can be used automatically replace 'outside' with 'outer'.") end if ! Add lattice to dictionary call lattice_dict % add_key(lat % id, i) - end do + end select + end do RECT_LATTICES + + HEX_LATTICES: do i = 1, n_hlats + allocate(HexLattice::lattices(n_rlats + i) % obj) + lat => lattices(n_rlats + i) % obj + select type (lat) + type is (HexLattice) + + ! Get pointer to i-th lattice + call get_list_item(node_hlat_list, i, node_lat) + + ! ID of lattice + if (check_for_node(node_lat, "id")) then + call get_node_value(node_lat, "id", lat % id) + else + call fatal_error("Must specify id of lattice in geometry XML file.") + end if + + ! Check to make sure 'id' hasn't been used + if (lattice_dict % has_key(lat % id)) then + call fatal_error("Two or more lattices use the same unique ID: " & + &// to_str(lat % id)) + end if + + ! Copy lattice name + if (check_for_node(node_lat, "name")) then + call get_node_value(node_lat, "name", lat % name) + end if + + ! Read number of lattice cells in each dimension + call get_node_value(node_lat, "n_rings", lat % n_rings) + if (check_for_node(node_lat, "n_axial")) then + call get_node_value(node_lat, "n_axial", lat % n_axial) + lat % is_3d = .true. + else + lat % n_axial = 1 + lat % is_3d = .false. + end if + + ! Read lattice lower-left location + n = get_arraysize_double(node_lat, "center") + if (lat % is_3d .and. n /= 3) then + call fatal_error("A hexagonal lattice with must have & + &
specified by 3 numbers.") + else if ((.not. lat % is_3d) .and. n /= 2) then + call fatal_error("A hexagonal lattice without must have & + &
specified by 2 numbers.") + end if + + allocate(lat % center(n)) + call get_node_array(node_lat, "center", lat % center) + + ! Read lattice pitches + n = get_arraysize_double(node_lat, "pitch") + if (lat % is_3d .and. n /= 2) then + call fatal_error("A hexagonal lattice with must have & + &specified by 2 numbers.") + else if ((.not. lat % is_3d) .and. n /= 1) then + call fatal_error("A hexagonal lattice without must have & + & specified by 1 number.") + end if + + allocate(lat % pitch(n)) + call get_node_array(node_lat, "pitch", lat % pitch) + + ! Copy number of dimensions + n_rings = lat % n_rings + n_z = lat % n_axial + allocate(lat % universes(2*n_rings - 1, 2*n_rings - 1, n_z)) + + ! Check that number of universes matches size + n = get_arraysize_integer(node_lat, "universes") + if (n /= (3*n_rings**2 - 3*n_rings + 1)*n_z) then + call fatal_error("Number of universes on does not match & + &size of lattice " // trim(to_str(lat % id)) // ".") + end if + + allocate(temp_int_array(n)) + call get_node_array(node_lat, "universes", temp_int_array) + + ! Read universes + ! Universes in hexagonal lattices are stored in a manner that represents + ! a skewed coordinate system: (x, alpha) rather than (x, y). There is + ! no obvious, direct relationship between the order of universes in the + ! input and the order that they will be stored in the skewed array so + ! the following code walks a set of index values across the skewed array + ! in a manner that matches the input order. Note that i_x = 0, i_a = 0 + ! corresponds to the center of the hexagonal lattice. + + input_index = 1 + do m = 1, n_z + ! Initialize lattice indecies. + i_x = 1 + i_a = n_rings - 1 + + ! Map upper triangular region of hexagonal lattice. + do k = 1, n_rings-1 + ! Walk index to lower-left neighbor of last row start. + i_x = i_x - 1 + do j = 1, k + ! Place universe in array. + lat % universes(i_x + n_rings, i_a + n_rings, m) = & + &temp_int_array(input_index) + ! Walk index to closest non-adjacent right neighbor. + i_x = i_x + 2 + i_a = i_a - 1 + ! Increment XML array index. + input_index = input_index + 1 + end do + ! Return lattice index to start of current row. + i_x = i_x - 2*k + i_a = i_a + k + end do + + ! Map middle square region of hexagonal lattice. + do k = 1, 2*n_rings - 1 + if (mod(k, 2) == 1) then + ! Walk index to lower-left neighbor of last row start. + i_x = i_x - 1 + else + ! Walk index to lower-right neighbor of last row start + i_x = i_x + 1 + i_a = i_a - 1 + end if + do j = 1, n_rings - mod(k-1, 2) + ! Place universe in array. + lat % universes(i_x + n_rings, i_a + n_rings, m) = & + &temp_int_array(input_index) + ! Walk index to closest non-adjacent right neighbor. + i_x = i_x + 2 + i_a = i_a - 1 + ! Increment XML array index. + input_index = input_index + 1 + end do + ! Return lattice index to start of current row. + i_x = i_x - 2*(n_rings - mod(k-1, 2)) + i_a = i_a + n_rings - mod(k-1, 2) + end do + + ! Map lower triangular region of hexagonal lattice. + do k = 1, n_rings-1 + ! Walk index to lower-right neighbor of last row start. + i_x = i_x + 1 + i_a = i_a - 1 + do j = 1, n_rings - k + ! Place universe in array. + lat % universes(i_x + n_rings, i_a + n_rings, m) = & + &temp_int_array(input_index) + ! Walk index to closest non-adjacent right neighbor. + i_x = i_x + 2 + i_a = i_a - 1 + ! Increment XML array index. + input_index = input_index + 1 + end do + ! Return lattice index to start of current row. + i_x = i_x - 2*(n_rings - k) + i_a = i_a + n_rings - k + end do + end do + deallocate(temp_int_array) + + ! Read outer universe for area outside lattice. + lat % outer = NO_OUTER_UNIVERSE + if (check_for_node(node_lat, "outer")) then + call get_node_value(node_lat, "outer", lat % outer) + end if + + ! Check for 'outside' nodes which are no longer supported. + if (check_for_node(node_lat, "outside")) then + call fatal_error("The use of 'outside' in lattices is no longer & + &supported. Instead, use 'outer' which defines a universe rather & + &than a material. The utility openmc/src/utils/update_inputs.py & + &can be used automatically replace 'outside' with 'outer'.") + end if + + ! Add lattice to dictionary + call lattice_dict % add_key(lat % id, n_rlats + i) + + end select + end do HEX_LATTICES ! Close geometry XML file call close_xmldoc(doc) @@ -1417,7 +1713,7 @@ contains ! Copy default cross section if present if (check_for_node(doc, "default_xs")) & - call get_node_value(doc, "default_xs", default_xs) + call get_node_value(doc, "default_xs", default_xs) ! Get pointer to list of XML call get_node_list(doc, "material", node_mat_list) @@ -1449,6 +1745,11 @@ contains &// to_str(mat % id)) end if + ! Copy material name + if (check_for_node(node_mat, "name")) then + call get_node_value(node_mat, "name", mat % name) + end if + if (run_mode == MODE_PLOTTING) then ! add to the dictionary and skip xs processing call material_dict % add_key(mat % id, i) @@ -1495,11 +1796,11 @@ contains case ('g/cc', 'g/cm3') mat % density = -val case ('kg/m3') - mat % density = -0.001 * val + mat % density = -0.001_8 * val case ('atom/b-cm') mat % density = val case ('atom/cm3', 'atom/cc') - mat % density = 1.0e-24 * val + mat % density = 1.0e-24_8 * val case default call fatal_error("Unkwown units '" // trim(units) & &// "' specified on material " // trim(to_str(mat % id))) @@ -1543,7 +1844,7 @@ contains ! store full name call get_node_value(node_nuc, "name", temp_str) if (check_for_node(node_nuc, "xs")) & - call get_node_value(node_nuc, "xs", name) + call get_node_value(node_nuc, "xs", name) name = trim(temp_str) // "." // trim(name) ! save name and density to list @@ -1552,7 +1853,7 @@ contains ! Check if no atom/weight percents were specified or if both atom and ! weight percents were specified if (.not.check_for_node(node_nuc, "ao") .and. & - .not.check_for_node(node_nuc, "wo")) then + .not.check_for_node(node_nuc, "wo")) then call fatal_error("No atom or weight percent specified for nuclide " & &// trim(name)) elseif (check_for_node(node_nuc, "ao") .and. & @@ -1602,7 +1903,7 @@ contains ! Check if no atom/weight percents were specified or if both atom and ! weight percents were specified if (.not.check_for_node(node_ele, "ao") .and. & - .not.check_for_node(node_ele, "wo")) then + .not.check_for_node(node_ele, "wo")) then call fatal_error("No atom or weight percent specified for element " & &// trim(name)) elseif (check_for_node(node_ele, "ao") .and. & @@ -1709,7 +2010,7 @@ contains ! Determine name of S(a,b) table if (.not.check_for_node(node_sab, "name") .or. & - .not.check_for_node(node_sab, "xs")) then + .not.check_for_node(node_sab, "xs")) then call fatal_error("Need to specify and for S(a,b) & &table.") end if @@ -1772,9 +2073,13 @@ contains integer :: n_filters ! number of filters integer :: n_new ! number of new scores to add based on Yn/Pn tally integer :: n_scores ! number of tot scores after adjusting for Yn/Pn tally - integer :: n_bins ! Total new bins for this score - integer :: n_order ! Moment order requested - integer :: n_order_pos ! Position of Scattering order in score name string + integer :: n_bins ! total new bins for this score + integer :: n_user_trig ! number of user-specified tally triggers + integer :: trig_ind ! index of triggers array for each tally + integer :: user_trig_ind ! index of user-specified triggers for each tally + real(8) :: threshold ! trigger convergence threshold + integer :: n_order ! moment order requested + integer :: n_order_pos ! oosition of Scattering order in score name string integer :: MT ! user-specified MT for score integer :: iarray3(3) ! temporary integer array integer :: imomstr ! Index of MOMENT_STRS & MOMENT_N_STRS @@ -1785,6 +2090,7 @@ contains character(MAX_WORD_LEN) :: score_name character(MAX_WORD_LEN) :: temp_str character(MAX_WORD_LEN), allocatable :: sarray(:) + type(DictCharInt) :: trigger_scores type(ElemKeyValueCI), pointer :: pair_list => null() type(TallyObject), pointer :: t => null() type(StructuredMesh), pointer :: m => null() @@ -1793,9 +2099,13 @@ contains type(Node), pointer :: node_mesh => null() type(Node), pointer :: node_tal => null() type(Node), pointer :: node_filt => null() + type(Node), pointer :: node_trigger=>null() type(NodeList), pointer :: node_mesh_list => null() type(NodeList), pointer :: node_tal_list => null() type(NodeList), pointer :: node_filt_list => null() + type(NodeList), pointer :: node_trigger_list => null() + type(ElemKeyValueCI), pointer :: scores + type(ElemKeyValueCI), pointer :: next ! Check if tallies.xml exists filename = trim(path_input) // "tallies.xml" @@ -1847,7 +2157,7 @@ contains call get_node_value(doc, "assume_separate", temp_str) temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - assume_separate = .true. + assume_separate = .true. end if ! ========================================================================== @@ -1875,7 +2185,7 @@ contains ! Read mesh type temp_str = '' if (check_for_node(node_mesh, "type")) & - call get_node_value(node_mesh, "type", temp_str) + call get_node_value(node_mesh, "type", temp_str) select case (to_lower(temp_str)) case ('rect', 'rectangle', 'rectangular') m % type = LATTICE_RECT @@ -1917,14 +2227,14 @@ contains ! Make sure both upper-right or width were specified if (check_for_node(node_mesh, "upper_right") .and. & - check_for_node(node_mesh, "width")) then + check_for_node(node_mesh, "width")) then call fatal_error("Cannot specify both and on a & &tally mesh.") end if ! Make sure either upper-right or width was specified if (.not.check_for_node(node_mesh, "upper_right") .and. & - .not.check_for_node(node_mesh, "width")) then + .not.check_for_node(node_mesh, "width")) then call fatal_error("Must specify either and on a & &tally mesh.") end if @@ -1932,7 +2242,7 @@ contains if (check_for_node(node_mesh, "width")) then ! Check to ensure width has same dimensions if (get_arraysize_double(node_mesh, "width") /= & - get_arraysize_double(node_mesh, "lower_left")) then + get_arraysize_double(node_mesh, "lower_left")) then call fatal_error("Number of entries on must be the same as & &the number of entries on .") end if @@ -1950,7 +2260,7 @@ contains elseif (check_for_node(node_mesh, "upper_right")) then ! Check to ensure width has same dimensions if (get_arraysize_double(node_mesh, "upper_right") /= & - get_arraysize_double(node_mesh, "lower_left")) then + get_arraysize_double(node_mesh, "lower_left")) then call fatal_error("Number of entries on must be the & &same as the number of entries on .") end if @@ -2011,10 +2321,9 @@ contains &// to_str(t % id)) end if - ! Copy tally label - t % label = '' - if (check_for_node(node_tal, "label")) & - call get_node_value(node_tal, "label", t % label) + ! Copy tally name + if (check_for_node(node_tal, "name")) & + call get_node_value(node_tal, "name", t % name) ! ======================================================================= ! READ DATA FOR FILTERS @@ -2036,13 +2345,13 @@ contains ! Convert filter type to lower case temp_str = '' if (check_for_node(node_filt, "type")) & - call get_node_value(node_filt, "type", temp_str) + call get_node_value(node_filt, "type", temp_str) temp_str = to_lower(temp_str) ! Determine number of bins if (check_for_node(node_filt, "bins")) then if (trim(temp_str) == 'energy' .or. & - trim(temp_str) == 'energyout') then + trim(temp_str) == 'energyout') then n_words = get_arraysize_double(node_filt, "bins") else n_words = get_arraysize_integer(node_filt, "bins") @@ -2054,6 +2363,18 @@ contains ! Determine type of filter select case (temp_str) + + case ('distribcell') + + ! Set type of filter + t % filters(j) % type = FILTER_DISTRIBCELL + + ! Going to add new filters to this tally if n_words > 1 + + ! Allocate and store bins + allocate(t % filters(j) % int_bins(n_words)) + call get_node_array(node_filt, "bins", t % filters(j) % int_bins) + case ('cell') ! Set type of filter t % filters(j) % type = FILTER_CELL @@ -2221,52 +2542,43 @@ contains n_words = get_arraysize_string(node_tal, "nuclides") allocate(t % nuclide_bins(n_words)) do j = 1, n_words + ! Check if total material was specified if (trim(sarray(j)) == 'total') then t % nuclide_bins(j) = -1 cycle end if - ! Check if xs specifier was given - if (ends_with(sarray(j), 'c')) then - word = sarray(j) - else - if (default_xs == '') then - ! No default cross section specified, search through nuclides - pair_list => nuclide_dict % keys() - do while (associated(pair_list)) - if (starts_with(pair_list % key, & - sarray(j))) then - word = pair_list % key(1:150) - exit - end if + ! If a specific nuclide was specified + word = to_lower(sarray(j)) - ! Advance to next - pair_list => pair_list % next - end do + ! Append default_xs specifier to nuclide if needed + if ((default_xs /= '') .and. (.not. ends_with(sarray(j), 'c'))) then + word = trim(word) // "." // default_xs + end if - ! Check if no nuclide was found - if (.not. associated(pair_list)) then - call fatal_error("Could not find the nuclide " & - &// trim(sarray(j)) // " specified in tally " & - &// trim(to_str(t % id)) // " in any material.") - end if - deallocate(pair_list) - else - ! Set nuclide to default xs - word = trim(sarray(j)) // "." // default_xs + ! Search through nuclides + pair_list => nuclide_dict % keys() + do while (associated(pair_list)) + if (starts_with(pair_list % key, word)) then + word = pair_list % key(1:150) + exit end if - end if - ! Check to make sure nuclide specified is in problem - if (.not. nuclide_dict % has_key(to_lower(word))) then - call fatal_error("The nuclide " // trim(word) // " from tally " & - &// trim(to_str(t % id)) & - &// " is not present in any material.") + ! Advance to next + pair_list => pair_list % next + end do + + ! Check if no nuclide was found + if (.not. associated(pair_list)) then + call fatal_error("Could not find the nuclide " & + &// trim(word) // " specified in tally " & + &// trim(to_str(t % id)) // " in any material.") end if + deallocate(pair_list) ! Set bin to index in nuclides array - t % nuclide_bins(j) = nuclide_dict % get_key(to_lower(word)) + t % nuclide_bins(j) = nuclide_dict % get_key(word) end do ! Set number of nuclide bins @@ -2306,7 +2618,7 @@ contains if (starts_with(score_name,trim(MOMENT_STRS(imomstr)))) then n_order_pos = scan(score_name,'0123456789') n_order = int(str_to_int( & - score_name(n_order_pos:(len_trim(score_name)))),4) + score_name(n_order_pos:(len_trim(score_name)))),4) if (n_order > MAX_ANG_ORDER) then ! User requested too many orders; throw a warning and set to the ! maximum order. @@ -2349,7 +2661,7 @@ contains if (starts_with(score_name,trim(MOMENT_STRS(imomstr)))) then n_order_pos = scan(score_name,'0123456789') n_order = int(str_to_int( & - score_name(n_order_pos:(len_trim(score_name)))),4) + score_name(n_order_pos:(len_trim(score_name)))),4) if (n_order > MAX_ANG_ORDER) then ! User requested too many orders; throw a warning and set to the ! maximum order. @@ -2372,7 +2684,7 @@ contains if (starts_with(score_name,trim(MOMENT_N_STRS(imomstr)))) then n_order_pos = scan(score_name,'0123456789') n_order = int(str_to_int( & - score_name(n_order_pos:(len_trim(score_name)))),4) + score_name(n_order_pos:(len_trim(score_name)))),4) if (n_order > MAX_ANG_ORDER) then ! User requested too many orders; throw a warning and set to the ! maximum order. @@ -2540,9 +2852,8 @@ contains ! Check to make sure that current is the only desired response ! for this tally if (n_words > 1) then - call fatal_error("Cannot tally other scoring functions in the & - &same tally as surface currents. Separate other scoring & - &functions into a distinct tally.") + call fatal_error("Cannot tally other scores in the & + &same tally as surface currents") end if ! Since the number of bins for the mesh filter was already set @@ -2612,6 +2923,10 @@ contains end if end select + + ! Append the score to the list of possible trigger scores + if (trigger_on) call trigger_scores % add_key(trim(score_name), l) + end do t % n_score_bins = n_scores t % n_user_score_bins = n_words @@ -2623,6 +2938,184 @@ contains &// trim(to_str(t % id)) // ".") end if + ! If settings.xml trigger is turned on, create tally triggers + if (trigger_on) then + + ! Get list of trigger nodes for this tally + call get_node_list(node_tal, "trigger", node_trigger_list) + + ! Initialize the number of triggers + n_user_trig = get_list_size(node_trigger_list) + + ! Count the number of triggers needed for all scores including "all" + t % n_triggers = 0 + COUNT_TRIGGERS: do user_trig_ind = 1, n_user_trig + + ! Get pointer to trigger node + call get_list_item(node_trigger_list, user_trig_ind, node_trigger) + + ! Get scores for this trigger + if (check_for_node(node_trigger, "scores")) then + n_words = get_arraysize_string(node_trigger, "scores") + allocate(sarray(n_words)) + call get_node_array(node_trigger, "scores", sarray) + else + n_words = 1 + allocate(sarray(n_words)) + sarray(1) = "all" + end if + + ! Count the number of scores for this trigger + do j = 1, n_words + score_name = trim(to_lower(sarray(j))) + + if (score_name == "all") then + scores => trigger_scores % keys() + + do while (associated(scores)) + next => scores % next + deallocate(scores) + scores => next + t % n_triggers = t % n_triggers + 1 + end do + + else + t % n_triggers = t % n_triggers + 1 + end if + + end do + + deallocate(sarray) + + end do COUNT_TRIGGERS + + ! Allocate array of triggers for this tally + if (t % n_triggers > 0) then + allocate(t % triggers(t % n_triggers)) + end if + + ! Initialize overall trigger index for this tally to zero + trig_ind = 1 + + ! Create triggers for all scores specified on each trigger + TRIGGER_LOOP: do user_trig_ind = 1, n_user_trig + + ! Get pointer to trigger node + call get_list_item(node_trigger_list, user_trig_ind, node_trigger) + + ! Get the trigger type - "variance", "std_dev" or "rel_err" + if (check_for_node(node_trigger, "type")) then + call get_node_value(node_trigger, "type", temp_str) + temp_str = to_lower(temp_str) + else + call fatal_error("Must specify trigger type for tally " // & + trim(to_str(t % id)) // " in tally XML file.") + end if + + ! Get the convergence threshold for the trigger + if (check_for_node(node_trigger, "threshold")) then + call get_node_value(node_trigger, "threshold", threshold) + else + call fatal_error("Must specify trigger threshold for tally " // & + trim(to_str(t % id)) // " in tally XML file.") + end if + + ! Get list scores for this trigger + if (check_for_node(node_trigger, "scores")) then + n_words = get_arraysize_string(node_trigger, "scores") + allocate(sarray(n_words)) + call get_node_array(node_trigger, "scores", sarray) + else + n_words = 1 + allocate(sarray(n_words)) + sarray(1) = "all" + end if + + ! Create a trigger for each score + SCORE_LOOP: do j = 1, n_words + score_name = trim(to_lower(sarray(j))) + + ! Expand "all" to include TriggerObjects for each score in tally + if (score_name == "all") then + scores => trigger_scores % keys() + + ! Loop over all tally scores + do while (associated(scores)) + score_name = trim(scores % key) + + ! Store the score name and index in the trigger + t % triggers(trig_ind) % score_name = trim(score_name) + t % triggers(trig_ind) % score_index = & + trigger_scores % get_key(trim(score_name)) + + ! Set the trigger convergence threshold type + select case (temp_str) + case ('std_dev') + t % triggers(trig_ind) % type = STANDARD_DEVIATION + case ('variance') + t % triggers(trig_ind) % type = VARIANCE + case ('rel_err') + t % triggers(trig_ind) % type = RELATIVE_ERROR + case default + call fatal_error("Unknown trigger type " // & + trim(temp_str) // " in tally " // trim(to_str(t % id))) + end select + + ! Store the trigger convergence threshold + t % triggers(trig_ind) % threshold = threshold + + ! Move to next score + next => scores % next + deallocate(scores) + scores => next + + ! Increment the overall trigger index + trig_ind = trig_ind + 1 + end do + + ! Scores other than the "all" placeholder + else + + ! Store the score name and index + t % triggers(trig_ind) % score_name = trim(score_name) + t % triggers(trig_ind) % score_index = & + trigger_scores % get_key(trim(score_name)) + + ! Check if an invalid score was set for the trigger + if (t % triggers(trig_ind) % score_index == 0) then + call fatal_error("The trigger score " // trim(score_name) // & + " is not set for tally " // trim(to_str(t % id))) + end if + + ! Store the trigger convergence threshold + t % triggers(trig_ind) % threshold = threshold + + ! Set the trigger convergence threshold type + select case (temp_str) + case ('std_dev') + t % triggers(trig_ind) % type = STANDARD_DEVIATION + case ('variance') + t % triggers(trig_ind) % type = VARIANCE + case ('rel_err') + t % triggers(trig_ind) % type = RELATIVE_ERROR + case default + call fatal_error("Unknown trigger type " // trim(temp_str) // & + " in tally " // trim(to_str(t % id))) + end select + + ! Increment the overall trigger index + trig_ind = trig_ind + 1 + end if + end do SCORE_LOOP + + ! Deallocate the list of tally scores used to create triggers + deallocate(sarray) + end do TRIGGER_LOOP + + ! Deallocate dictionary of scores/indices used to populate triggers + call trigger_scores % clear() + end if + ! ======================================================================= ! SET TALLY ESTIMATOR @@ -2730,7 +3223,7 @@ contains ! Copy plot type temp_str = 'slice' if (check_for_node(node_plot, "type")) & - call get_node_value(node_plot, "type", temp_str) + call get_node_value(node_plot, "type", temp_str) temp_str = to_lower(temp_str) select case (trim(temp_str)) case ("slice") @@ -2745,7 +3238,7 @@ contains ! Set output file path filename = trim(to_str(pl % id)) // "_plot" if (check_for_node(node_plot, "filename")) & - call get_node_value(node_plot, "filename", filename) + call get_node_value(node_plot, "filename", filename) select case (pl % type) case (PLOT_TYPE_SLICE) pl % path_plot = trim(path_input) // trim(filename) // ".ppm" @@ -2790,7 +3283,7 @@ contains if (pl % type == PLOT_TYPE_SLICE) then temp_str = 'xy' if (check_for_node(node_plot, "basis")) & - call get_node_value(node_plot, "basis", temp_str) + call get_node_value(node_plot, "basis", temp_str) temp_str = to_lower(temp_str) select case (trim(temp_str)) case ("xy") @@ -2845,7 +3338,7 @@ contains ! Copy plot color type and initialize all colors randomly temp_str = "cell" if (check_for_node(node_plot, "color")) & - call get_node_value(node_plot, "color", temp_str) + call get_node_value(node_plot, "color", temp_str) temp_str = to_lower(temp_str) select case (trim(temp_str)) case ("cell") @@ -2959,7 +3452,7 @@ contains ! Ensure that there is a linewidth for this meshlines specification if (check_for_node(node_meshlines, "linewidth")) then call get_node_value(node_meshlines, "linewidth", & - pl % meshlines_width) + pl % meshlines_width) else call fatal_error("Must specify a linewidth for meshlines & &specification in plot " // trim(to_str(pl % id))) @@ -2975,7 +3468,7 @@ contains end if call get_node_array(node_meshlines, "color", & - pl % meshlines_color % rgb) + pl % meshlines_color % rgb) else pl % meshlines_color % rgb = (/ 0, 0, 0 /) @@ -3001,8 +3494,8 @@ contains end if i_mesh = cmfd_tallies(1) % & - filters(cmfd_tallies(1) % find_filter(FILTER_MESH)) % & - int_bins(1) + filters(cmfd_tallies(1) % find_filter(FILTER_MESH)) % & + int_bins(1) pl % meshlines_mesh => meshes(i_mesh) case ('entropy') @@ -3161,9 +3654,9 @@ contains ! Check if cross_sections.xml exists inquire(FILE=path_cross_sections, EXIST=file_exists) if (.not. file_exists) then - ! Could not find cross_sections.xml file - call fatal_error("Cross sections XML file '" & - &// trim(path_cross_sections) // "' does not exist!") + ! Could not find cross_sections.xml file + call fatal_error("Cross sections XML file '" & + &// trim(path_cross_sections) // "' does not exist!") end if call write_message("Reading cross sections XML file...", 5) @@ -3172,28 +3665,28 @@ contains call open_xmldoc(doc, path_cross_sections) if (check_for_node(doc, "directory")) then - ! Copy directory information if present - call get_node_value(doc, "directory", directory) + ! Copy directory information if present + call get_node_value(doc, "directory", directory) else - ! If no directory is listed in cross_sections.xml, by default select the - ! directory in which the cross_sections.xml file resides - i = index(path_cross_sections, "/", BACK=.true.) - directory = path_cross_sections(1:i) + ! If no directory is listed in cross_sections.xml, by default select the + ! directory in which the cross_sections.xml file resides + i = index(path_cross_sections, "/", BACK=.true.) + directory = path_cross_sections(1:i) end if ! determine whether binary/ascii temp_str = '' if (check_for_node(doc, "filetype")) & - call get_node_value(doc, "filetype", temp_str) + call get_node_value(doc, "filetype", temp_str) if (trim(temp_str) == 'ascii') then - filetype = ASCII + filetype = ASCII elseif (trim(temp_str) == 'binary') then - filetype = BINARY + filetype = BINARY elseif (len_trim(temp_str) == 0) then - filetype = ASCII + filetype = ASCII else - call fatal_error("Unknown filetype in cross_sections.xml: " & - &// trim(temp_str)) + call fatal_error("Unknown filetype in cross_sections.xml: " & + &// trim(temp_str)) end if ! copy default record length and entries for binary files @@ -3208,83 +3701,83 @@ contains ! Allocate xs_listings array if (n_listings == 0) then - call fatal_error("No ACE table listings present in cross_sections.xml & - &file!") + call fatal_error("No ACE table listings present in cross_sections.xml & + &file!") else - allocate(xs_listings(n_listings)) + allocate(xs_listings(n_listings)) end if do i = 1, n_listings - listing => xs_listings(i) + listing => xs_listings(i) - ! Get pointer to ace table XML node - call get_list_item(node_ace_list, i, node_ace) + ! Get pointer to ace table XML node + call get_list_item(node_ace_list, i, node_ace) - ! copy a number of attributes - call get_node_value(node_ace, "name", listing % name) - if (check_for_node(node_ace, "alias")) & - call get_node_value(node_ace, "alias", listing % alias) - call get_node_value(node_ace, "zaid", listing % zaid) - call get_node_value(node_ace, "awr", listing % awr) - if (check_for_node(node_ace, "temperature")) & - call get_node_value(node_ace, "temperature", listing % kT) - call get_node_value(node_ace, "location", listing % location) + ! copy a number of attributes + call get_node_value(node_ace, "name", listing % name) + if (check_for_node(node_ace, "alias")) & + call get_node_value(node_ace, "alias", listing % alias) + call get_node_value(node_ace, "zaid", listing % zaid) + call get_node_value(node_ace, "awr", listing % awr) + if (check_for_node(node_ace, "temperature")) & + call get_node_value(node_ace, "temperature", listing % kT) + call get_node_value(node_ace, "location", listing % location) - ! determine type of cross section - if (ends_with(listing % name, 'c')) then - listing % type = ACE_NEUTRON - elseif (ends_with(listing % name, 't')) then - listing % type = ACE_THERMAL - end if + ! determine type of cross section + if (ends_with(listing % name, 'c')) then + listing % type = ACE_NEUTRON + elseif (ends_with(listing % name, 't')) then + listing % type = ACE_THERMAL + end if - ! set filetype, record length, and number of entries - if (check_for_node(node_ace, "filetype")) then - temp_str = '' - call get_node_value(node_ace, "filetype", temp_str) - if (temp_str == 'ascii') then - listing % filetype = ASCII - else if (temp_str == 'binary') then - listing % filetype = BINARY - end if - else - listing % filetype = filetype - end if + ! set filetype, record length, and number of entries + if (check_for_node(node_ace, "filetype")) then + temp_str = '' + call get_node_value(node_ace, "filetype", temp_str) + if (temp_str == 'ascii') then + listing % filetype = ASCII + else if (temp_str == 'binary') then + listing % filetype = BINARY + end if + else + listing % filetype = filetype + end if - ! Set record length and entries for binary files - if (filetype == BINARY) then - listing % recl = recl - listing % entries = entries - end if + ! Set record length and entries for binary files + if (filetype == BINARY) then + listing % recl = recl + listing % entries = entries + end if - ! determine metastable state - if (.not.check_for_node(node_ace, "metastable")) then - listing % metastable = .false. - else - listing % metastable = .true. - end if + ! determine metastable state + if (.not.check_for_node(node_ace, "metastable")) then + listing % metastable = .false. + else + listing % metastable = .true. + end if - ! determine path of cross section table - if (check_for_node(node_ace, "path")) then - call get_node_value(node_ace, "path", temp_str) - else - call fatal_error("Path missing for isotope " // listing % name) - end if + ! determine path of cross section table + if (check_for_node(node_ace, "path")) then + call get_node_value(node_ace, "path", temp_str) + else + call fatal_error("Path missing for isotope " // listing % name) + end if - if (starts_with(temp_str, '/')) then - listing % path = trim(temp_str) - else - if (ends_with(directory,'/')) then - listing % path = trim(directory) // trim(temp_str) - else - listing % path = trim(directory) // '/' // trim(temp_str) - end if - end if + if (starts_with(temp_str, '/')) then + listing % path = trim(temp_str) + else + if (ends_with(directory,'/')) then + listing % path = trim(directory) // trim(temp_str) + else + listing % path = trim(directory) // '/' // trim(temp_str) + end if + end if - ! create dictionary entry for both name and alias - call xs_listing_dict % add_key(to_lower(listing % name), i) - if (check_for_node(node_ace, "alias")) then - call xs_listing_dict % add_key(to_lower(listing % alias), i) - end if + ! create dictionary entry for both name and alias + call xs_listing_dict % add_key(to_lower(listing % name), i) + if (check_for_node(node_ace, "alias")) then + call xs_listing_dict % add_key(to_lower(listing % alias), i) + end if end do ! Check that 0K nuclides are listed in the cross_sections.xml file diff --git a/src/list_header.F90 b/src/list_header.F90 index a9311ec64a..8020b96b17 100644 --- a/src/list_header.F90 +++ b/src/list_header.F90 @@ -45,7 +45,7 @@ module list_header private integer :: count = 0 ! Number of elements in list - ! Used in get_item for fast sequential lookups + ! Used in get_item for fast sequential lookups integer :: last_index = huge(0) type(ListElemInt), pointer :: last_elem => null() @@ -67,7 +67,7 @@ module list_header private integer :: count = 0 ! Number of elements in list - ! Used in get_item for fast sequential lookups + ! Used in get_item for fast sequential lookups integer :: last_index = huge(0) type(ListElemReal), pointer :: last_elem => null() @@ -89,7 +89,7 @@ module list_header private integer :: count = 0 ! Number of elements in list - ! Used in get_item for fast sequential lookups + ! Used in get_item for fast sequential lookups integer :: last_index = huge(0) type(ListElemChar), pointer :: last_elem => null() @@ -198,7 +198,7 @@ contains type(ListElemInt), pointer :: current => null() type(ListElemInt), pointer :: next => null() - + if (this % count > 0) then current => this % head do while (associated(current)) @@ -224,7 +224,7 @@ contains type(ListElemReal), pointer :: current => null() type(ListElemReal), pointer :: next => null() - + if (this % count > 0) then current => this % head do while (associated(current)) @@ -250,7 +250,7 @@ contains type(ListElemChar), pointer :: current => null() type(ListElemChar), pointer :: next => null() - + if (this % count > 0) then current => this % head do while (associated(current)) @@ -518,7 +518,7 @@ contains ! Allocate new element allocate(new_elem) new_elem % data = data - + ! Put it before the i-th element new_elem % prev => elem % prev new_elem % next => elem @@ -573,7 +573,7 @@ contains ! Allocate new element allocate(new_elem) new_elem % data = data - + ! Put it before the i-th element new_elem % prev => elem % prev new_elem % next => elem @@ -628,7 +628,7 @@ contains ! Allocate new element allocate(new_elem) new_elem % data = data - + ! Put it before the i-th element new_elem % prev => elem % prev new_elem % next => elem diff --git a/src/material_header.F90 b/src/material_header.F90 index fca735fd2a..a10382abd9 100644 --- a/src/material_header.F90 +++ b/src/material_header.F90 @@ -8,11 +8,19 @@ module material_header type Material integer :: id ! unique identifier + character(len=52) :: name = "" ! User-defined name integer :: n_nuclides ! number of nuclides integer, allocatable :: nuclide(:) ! index in nuclides array real(8) :: density ! total atom density in atom/b-cm real(8), allocatable :: atom_density(:) ! nuclide atom density in atom/b-cm + ! Energy grid information + integer :: n_grid ! # of union material grid points + real(8), allocatable :: e_grid(:) ! union material grid energies + + ! Unionized energy grid information + integer, allocatable :: nuclide_grid_index(:,:) ! nuclide e_grid pointers + ! S(a,b) data references integer :: n_sab = 0 ! number of S(a,b) tables integer, allocatable :: i_sab_nuclides(:) ! index of corresponding nuclide diff --git a/src/math.F90 b/src/math.F90 index b3046ccc4a..826172fa24 100644 --- a/src/math.F90 +++ b/src/math.F90 @@ -1,6 +1,6 @@ module math - use constants, only: PI, ONE, TWO, ZERO + use constants use random_lcg, only: prn implicit none @@ -41,27 +41,27 @@ contains q = sqrt(-TWO*log(p)) z = (((((c(1)*q + c(2))*q + c(3))*q + c(4))*q + c(5))*q + c(6)) / & - ((((d(1)*q + d(2))*q + d(3))*q + d(4))*q + 1.) + ((((d(1)*q + d(2))*q + d(3))*q + d(4))*q + ONE) - elseif (p <= 1. - p_low) then + elseif (p <= ONE - p_low) then ! Rational approximation for central region - q = p - 0.5 + q = p - HALF r = q*q z = (((((a(1)*r + a(2))*r + a(3))*r + a(4))*r + a(5))*r + a(6))*q / & - (((((b(1)*r + b(2))*r + b(3))*r + b(4))*r + b(5))*r + 1.) + (((((b(1)*r + b(2))*r + b(3))*r + b(4))*r + b(5))*r + ONE) else ! Rational approximation for upper region - q = sqrt(-2*log(1. - p)) + q = sqrt(-TWO*log(ONE - p)) z = -(((((c(1)*q + c(2))*q + c(3))*q + c(4))*q + c(5))*q + c(6)) / & - ((((d(1)*q + d(2))*q + d(3))*q + d(4))*q + 1.) + ((((d(1)*q + d(2))*q + d(3))*q + d(4))*q + ONE) endif ! Refinement based on Newton's method #ifndef NO_F2008 - z = z - (0.5 * erfc(-z/sqrt(TWO)) - p) * sqrt(TWO*PI) * exp(0.5*z*z) + z = z - (HALF * erfc(-z/sqrt(TWO)) - p) * sqrt(TWO*PI) * exp(HALF*z*z) #endif end function normal_percentile @@ -86,13 +86,13 @@ contains ! For one degree of freedom, the t-distribution becomes a Cauchy ! distribution whose cdf we can invert directly - t = tan(PI*(p - 0.5)) + t = tan(PI*(p - HALF)) elseif (df == 2) then ! For two degrees of freedom, the cdf is given by 1/2 + x/(2*sqrt(x^2 + ! 2)). This can be directly inverted to yield the solution below - t = TWO*sqrt(TWO)*(p - 0.5)/sqrt(ONE - 4.*(p - 0.5)**2) + t = TWO*sqrt(TWO)*(p - HALF)/sqrt(ONE - FOUR*(p - HALF)**2) else @@ -102,12 +102,12 @@ contains ! 16 (4), pp. 1123-1132 (1987). n = real(df,8) - k = 1./(n - 2.) + k = ONE/(n - TWO) z = normal_percentile(p) z2 = z * z - t = sqrt(n*k) * (z + (z2 - 3.)*z*k/4. + ((5.*z2 - 56.)*z2 + & - 75.)*z*k*k/96. + (((z2 - 27.)*3.*z2 + 417.)*z2 - 315.) & - *z*k*k*k/384.) + t = sqrt(n*k) * (z + (z2 - THREE)*z*k/FOUR + ((5._8*z2 - 56._8)*z2 + & + 75._8)*z*k*k/96._8 + (((z2 - 27._8)*THREE*z2 + 417._8)*z2 - 315._8) & + *z*k*k*k/384._8) end if @@ -134,7 +134,7 @@ contains case(1) pnx = x case(2) - pnx = 1.5_8 * x * x - 0.5_8 + pnx = 1.5_8 * x * x - HALF case(3) pnx = 2.5_8 * x * x * x - 1.5_8 * x case(4) @@ -143,20 +143,20 @@ contains pnx = 7.875_8 * (x ** 5) - 8.75_8 * x * x * x + 1.875 * x case(6) pnx = 14.4375_8 * (x ** 6) - 19.6875_8 * (x ** 4) + & - 6.5625_8 * x * x - 0.3125_8 + 6.5625_8 * x * x - 0.3125_8 case(7) pnx = 26.8125_8 * (x ** 7) - 43.3125_8 * (x ** 5) + & - 19.6875_8 * x * x * x - 2.1875_8 * x + 19.6875_8 * x * x * x - 2.1875_8 * x case(8) pnx = 50.2734375_8 * (x ** 8) - 93.84375_8 * (x ** 6) + & - 54.140625 * (x ** 4) - 9.84375_8 * x * x + 0.2734375_8 + 54.140625 * (x ** 4) - 9.84375_8 * x * x + 0.2734375_8 case(9) pnx = 94.9609375_8 * (x ** 9) - 201.09375_8 * (x ** 7) + & - 140.765625_8 * (x ** 5) - 36.09375_8 * x * x * x + 2.4609375_8 * x + 140.765625_8 * (x ** 5) - 36.09375_8 * x * x * x + 2.4609375_8 * x case(10) pnx = 180.42578125_8 * (x ** 10) - 427.32421875_8 * (x ** 8) + & - 351.9140625_8 * (x ** 6) - 117.3046875_8 * (x ** 4) + & - 13.53515625_8 * x * x - 0.24609375_8 + 351.9140625_8 * (x ** 6) - 117.3046875_8 * (x ** 4) + & + 13.53515625_8 * x * x - 0.24609375_8 case default pnx = ONE ! correct for case(0), incorrect for the rest end select @@ -199,53 +199,53 @@ contains rn(3) = ONE*sqrt(w2m1) * cos(phi) case (2) ! l = 2, m = -2 - rn(1) = 0.288675134594813_8 * (-3.0_8 * w**2 + 3.0_8) * sin(TWO*phi) + rn(1) = 0.288675134594813_8 * (-THREE * w**2 + THREE) * sin(TWO*phi) ! l = 2, m = -1 rn(2) = 1.73205080756888_8 * w*sqrt(w2m1) * sin(phi) ! l = 2, m = 0 - rn(3) = 1.5_8 * w**2 - 0.5_8 + rn(3) = 1.5_8 * w**2 - HALF ! l = 2, m = 1 rn(4) = 1.73205080756888_8 * w*sqrt(w2m1) * cos(phi) ! l = 2, m = 2 - rn(5) = 0.288675134594813_8 * (-3.0_8 * w**2 + 3.0_8) * cos(TWO*phi) + rn(5) = 0.288675134594813_8 * (-THREE * w**2 + THREE) * cos(TWO*phi) case (3) ! l = 3, m = -3 - rn(1) = 0.790569415042095_8 * (w2m1)**(3.0_8/TWO) * sin(3.0_8 * phi) + rn(1) = 0.790569415042095_8 * (w2m1)**(THREE/TWO) * sin(THREE * phi) ! l = 3, m = -2 rn(2) = 1.93649167310371_8 * w*(w2m1) * sin(TWO*phi) ! l = 3, m = -1 - rn(3) = 0.408248290463863_8*sqrt(w2m1)*((15.0_8/TWO)*w**2 - 3.0_8/TWO) * & - sin(phi) + rn(3) = 0.408248290463863_8*sqrt(w2m1)*((15.0_8/TWO)*w**2 - THREE/TWO) * & + sin(phi) ! l = 3, m = 0 rn(4) = 2.5_8 * w**3 - 1.5_8 * w ! l = 3, m = 1 - rn(5) = 0.408248290463863_8*sqrt(w2m1)*((15.0_8/TWO)*w**2 - 3.0_8/TWO) * & - cos(phi) + rn(5) = 0.408248290463863_8*sqrt(w2m1)*((15.0_8/TWO)*w**2 - THREE/TWO) * & + cos(phi) ! l = 3, m = 2 rn(6) = 1.93649167310371_8 * w*(w2m1) * cos(TWO*phi) ! l = 3, m = 3 - rn(7) = 0.790569415042095_8 * (w2m1)**(3.0_8/TWO) * cos(3.0_8* phi) + rn(7) = 0.790569415042095_8 * (w2m1)**(THREE/TWO) * cos(THREE* phi) case (4) ! l = 4, m = -4 rn(1) = 0.739509972887452_8 * (w2m1)**2 * sin(4.0_8*phi) ! l = 4, m = -3 - rn(2) = 2.09165006633519_8 * w*(w2m1)**(3.0_8/TWO) * sin(3.0_8* phi) + rn(2) = 2.09165006633519_8 * w*(w2m1)**(THREE/TWO) * sin(THREE* phi) ! l = 4, m = -2 rn(3) = 0.074535599249993_8 * (w2m1)*((105.0_8/TWO)*w**2 - 15.0_8/TWO) * & - sin(TWO*phi) + sin(TWO*phi) ! l = 4, m = -1 - rn(4) = 0.316227766016838_8*sqrt(w2m1)*((35.0_8/TWO)*w**3 - 15.0_8/TWO*w) * & - sin(phi) + rn(4) = 0.316227766016838_8*sqrt(w2m1)*((35.0_8/TWO)*w**3 - 15.0_8/TWO*w)& + * sin(phi) ! l = 4, m = 0 rn(5) = 4.375_8 * w**4 - 3.75_8 * w**2 + 0.375_8 ! l = 4, m = 1 - rn(6) = 0.316227766016838_8*sqrt(w2m1)*((35.0_8/TWO)*w**3 - 15.0_8/TWO*w) * & - cos(phi) + rn(6) = 0.316227766016838_8*sqrt(w2m1)*((35.0_8/TWO)*w**3 - 15.0_8/TWO*w)& + * cos(phi) ! l = 4, m = 2 rn(7) = 0.074535599249993_8 * (w2m1)*((105.0_8/TWO)*w**2 - 15.0_8/TWO) * & - cos(TWO*phi) + cos(TWO*phi) ! l = 4, m = 3 - rn(8) = 2.09165006633519_8 * w*(w2m1)**(3.0_8/TWO) * cos(3.0_8* phi) + rn(8) = 2.09165006633519_8 * w*(w2m1)**(THREE/TWO) * cos(THREE* phi) ! l = 4, m = 4 rn(9) = 0.739509972887452_8 * (w2m1)**2 * cos(4.0_8*phi) case (5) @@ -254,25 +254,27 @@ contains ! l = 5, m = -4 rn(2) = 2.21852991866236_8 * w*(w2m1)**2 * sin(4.0_8*phi) ! l = 5, m = -3 - rn(3) = 0.00996023841111995_8 * (w2m1)**(3.0_8/TWO)* & - ((945.0_8 /TWO)*w**2 - 105.0_8/TWO) * sin(3.0_8*phi) + rn(3) = 0.00996023841111995_8 * (w2m1)**(THREE/TWO)* & + ((945.0_8 /TWO)*w**2 - 105.0_8/TWO) * sin(THREE*phi) ! l = 5, m = -2 - rn(4) = 0.0487950036474267_8 * (w2m1)*((315.0_8/TWO)*w**3 - 105.0_8/TWO*w) * & - sin(TWO*phi) + rn(4) = 0.0487950036474267_8 * (w2m1) & + * ((315.0_8/TWO)*w**3 - 105.0_8/TWO*w) * sin(TWO*phi) ! l = 5, m = -1 rn(5) = 0.258198889747161_8*sqrt(w2m1)* & - ((315.0_8/8.0_8)*w**4 - 105.0_8/4.0_8 * w**2 + 15.0_8/8.0_8) * sin(phi) + ((315.0_8/8.0_8)*w**4 - 105.0_8/4.0_8 * w**2 + 15.0_8/8.0_8) & + * sin(phi) ! l = 5, m = 0 rn(6) = 7.875_8 * w**5 - 8.75_8 * w**3 + 1.875_8 * w ! l = 5, m = 1 rn(7) = 0.258198889747161_8*sqrt(w2m1)* & - ((315.0_8/8.0_8)*w**4 - 105.0_8/4.0_8 * w**2 + 15.0_8/8.0_8) * cos(phi) + ((315.0_8/8.0_8)*w**4 - 105.0_8/4.0_8 * w**2 + 15.0_8/8.0_8) & + * cos(phi) ! l = 5, m = 2 rn(8) = 0.0487950036474267_8 * (w2m1)* & - ((315.0_8/TWO)*w**3 - 105.0_8/TWO*w) * cos(TWO*phi) + ((315.0_8/TWO)*w**3 - 105.0_8/TWO*w) * cos(TWO*phi) ! l = 5, m = 3 - rn(9) = 0.00996023841111995_8 * (w2m1)**(3.0_8/TWO)* & - ((945.0_8 /TWO)*w**2 - 105.0_8/TWO) * cos(3.0_8*phi) + rn(9) = 0.00996023841111995_8 * (w2m1)**(THREE/TWO)* & + ((945.0_8 /TWO)*w**2 - 105.0_8/TWO) * cos(THREE*phi) ! l = 5, m = 4 rn(10) = 2.21852991866236_8 * w*(w2m1)**2 * cos(4.0_8*phi) ! l = 5, m = 5 @@ -284,30 +286,34 @@ contains rn(2) = 2.32681380862329_8 * w*(w2m1)**(5.0_8/TWO) * sin(5.0_8*phi) ! l = 6, m = -4 rn(3) = 0.00104990131391452_8 * (w2m1)**2 * & - ((10395.0_8/TWO)*w**2 - 945.0_8/TWO) * sin(4.0_8*phi) + ((10395.0_8/TWO)*w**2 - 945.0_8/TWO) * sin(4.0_8*phi) ! l = 6, m = -3 - rn(4) = 0.00575054632785295_8 * (w2m1)**(3.0_8/TWO) * & - ((3465.0_8/TWO)*w**3 - 945.0_8/TWO*w) * sin(3.0_8*phi) + rn(4) = 0.00575054632785295_8 * (w2m1)**(THREE/TWO) * & + ((3465.0_8/TWO)*w**3 - 945.0_8/TWO*w) * sin(THREE*phi) ! l = 6, m = -2 rn(5) = 0.0345032779671177_8 * (w2m1) * & - ((3465.0_8/8.0_8)*w**4 - 945.0_8/4.0_8 * w**2 + 105.0_8/8.0_8) * sin(TWO*phi) + ((3465.0_8/8.0_8)*w**4 - 945.0_8/4.0_8 * w**2 + 105.0_8/8.0_8) & + * sin(TWO*phi) ! l = 6, m = -1 rn(6) = 0.218217890235992_8*sqrt(w2m1) * & - ((693.0_8/8.0_8)*w**5- 315.0_8/4.0_8 * w**3 + (105.0_8/8.0_8)*w) * sin(phi) + ((693.0_8/8.0_8)*w**5- 315.0_8/4.0_8 * w**3 + (105.0_8/8.0_8)*w) & + * sin(phi) ! l = 6, m = 0 rn(7) = 14.4375_8 * w**6 - 19.6875_8 * w**4 + 6.5625_8 * w**2 - 0.3125_8 ! l = 6, m = 1 rn(8) = 0.218217890235992_8*sqrt(w2m1) * & - ((693.0_8/8.0_8)*w**5- 315.0_8/4.0_8 * w**3 + (105.0_8/8.0_8)*w) * cos(phi) + ((693.0_8/8.0_8)*w**5- 315.0_8/4.0_8 * w**3 + (105.0_8/8.0_8)*w) & + * cos(phi) ! l = 6, m = 2 rn(9) = 0.0345032779671177_8 * (w2m1) * & - ((3465.0_8/8.0_8)*w**4 -945.0_8/4.0_8 * w**2 + 105.0_8/8.0_8) * cos(TWO*phi) + ((3465.0_8/8.0_8)*w**4 -945.0_8/4.0_8 * w**2 + 105.0_8/8.0_8) & + * cos(TWO*phi) ! l = 6, m = 3 - rn(10) = 0.00575054632785295_8 * (w2m1)**(3.0_8/TWO) * & - ((3465.0_8/TWO)*w**3 - 945.0_8/TWO*w) * cos(3.0_8*phi) + rn(10) = 0.00575054632785295_8 * (w2m1)**(THREE/TWO) * & + ((3465.0_8/TWO)*w**3 - 945.0_8/TWO*w) * cos(THREE*phi) ! l = 6, m = 4 rn(11) = 0.00104990131391452_8 * (w2m1)**2 * & - ((10395.0_8/TWO)*w**2 - 945.0_8/TWO) * cos(4.0_8*phi) + ((10395.0_8/TWO)*w**2 - 945.0_8/TWO) * cos(4.0_8*phi) ! l = 6, m = 5 rn(12) = 2.32681380862329_8 * w*(w2m1)**(5.0_8/TWO) * cos(5.0_8*phi) ! l = 6, m = 6 @@ -319,42 +325,43 @@ contains rn(2) = 2.42182459624969_8 * w*(w2m1)**3 * sin(6.0_8*phi) ! l = 7, m = -5 rn(3) = 9.13821798555235d-5*(w2m1)**(5.0_8/TWO)* & - ((135135.0_8/TWO)*w**2 - 10395.0_8/TWO) * sin(5.0_8*phi) + ((135135.0_8/TWO)*w**2 - 10395.0_8/TWO) * sin(5.0_8*phi) ! l = 7, m = -4 rn(4) = 0.000548293079133141_8 * (w2m1)**2* & - ((45045.0_8/TWO)*w**3 - 10395.0_8/TWO*w) * sin(4.0_8*phi) + ((45045.0_8/TWO)*w**3 - 10395.0_8/TWO*w) * sin(4.0_8*phi) ! l = 7, m = -3 - rn(5) = 0.00363696483726654_8 * (w2m1)**(3.0_8/TWO)* & - ((45045.0_8/8.0_8)*w**4 - 10395.0_8/4.0_8 * w**2 + 945.0_8/8.0_8)* & - sin(3.0_8*phi) + rn(5) = 0.00363696483726654_8 * (w2m1)**(THREE/TWO)* & + ((45045.0_8/8.0_8)*w**4 - 10395.0_8/4.0_8 * w**2 + 945.0_8/8.0_8)* & + sin(THREE*phi) ! l = 7, m = -2 rn(6) = 0.025717224993682_8 * (w2m1)* & - ((9009.0_8/8.0_8)*w**5 -3465.0_8/4.0_8 * w**3 + (945.0_8/8.0_8)*w)* & - sin(TWO*phi) + ((9009.0_8/8.0_8)*w**5 -3465.0_8/4.0_8 * w**3 + (945.0_8/8.0_8)*w)* & + sin(TWO*phi) ! l = 7, m = -1 rn(7) = 0.188982236504614_8*sqrt(w2m1)* & - ((3003.0_8/16.0_8)*w**6 - 3465.0_8/16.0_8 * w**4 + & - (945.0_8/16.0_8)*w**2 - 35.0_8/16.0_8) * sin(phi) + ((3003.0_8/16.0_8)*w**6 - 3465.0_8/16.0_8 * w**4 + & + (945.0_8/16.0_8)*w**2 - 35.0_8/16.0_8) * sin(phi) ! l = 7, m = 0 - rn(8) = 26.8125_8 * w**7 - 43.3125_8 * w**5 + 19.6875_8 * w**3 -2.1875_8 * w + rn(8) = 26.8125_8 * w**7 - 43.3125_8 * w**5 + 19.6875_8 * w**3 -2.1875_8 & + * w ! l = 7, m = 1 rn(9) = 0.188982236504614_8*sqrt(w2m1)* & - ((3003.0_8/16.0_8)*w**6 - 3465.0_8/16.0_8 * w**4 + & - (945.0_8/16.0_8)*w**2 - 35.0_8/16.0_8) * cos(phi) + ((3003.0_8/16.0_8)*w**6 - 3465.0_8/16.0_8 * w**4 + & + (945.0_8/16.0_8)*w**2 - 35.0_8/16.0_8) * cos(phi) ! l = 7, m = 2 rn(10) = 0.025717224993682_8 * (w2m1)* & - ((9009.0_8/8.0_8)*w**5 -3465.0_8/4.0_8 * w**3 + (945.0_8/8.0_8)*w)* & - cos(TWO*phi) + ((9009.0_8/8.0_8)*w**5 -3465.0_8/4.0_8 * w**3 + (945.0_8/8.0_8)*w)* & + cos(TWO*phi) ! l = 7, m = 3 - rn(11) = 0.00363696483726654_8 * (w2m1)**(3.0_8/TWO)* & - ((45045.0_8/8.0_8)*w**4 - 10395.0_8/4.0_8 * w**2 + 945.0_8/8.0_8)* & - cos(3.0_8*phi) + rn(11) = 0.00363696483726654_8 * (w2m1)**(THREE/TWO)* & + ((45045.0_8/8.0_8)*w**4 - 10395.0_8/4.0_8 * w**2 + 945.0_8/8.0_8)* & + cos(THREE*phi) ! l = 7, m = 4 rn(12) = 0.000548293079133141_8 * (w2m1)**2 * & - ((45045.0_8/TWO)*w**3 - 10395.0_8/TWO*w) * cos(4.0_8*phi) + ((45045.0_8/TWO)*w**3 - 10395.0_8/TWO*w) * cos(4.0_8*phi) ! l = 7, m = 5 rn(13) = 9.13821798555235d-5*(w2m1)**(5.0_8/TWO)* & - ((135135.0_8/TWO)*w**2 - 10395.0_8/TWO) * cos(5.0_8*phi) + ((135135.0_8/TWO)*w**2 - 10395.0_8/TWO) * cos(5.0_8*phi) ! l = 7, m = 6 rn(14) = 2.42182459624969_8 * w*(w2m1)**3 * cos(6.0_8*phi) ! l = 7, m = 7 @@ -366,48 +373,50 @@ contains rn(2) = 2.50682661696018_8 * w*(w2m1)**(7.0_8/TWO) * sin(7.0_8*phi) ! l = 8, m = -6 rn(3) = 6.77369783729086d-6*(w2m1)**3* & - ((2027025.0_8/TWO)*w**2 - 135135.0_8/TWO) * sin(6.0_8*phi) + ((2027025.0_8/TWO)*w**2 - 135135.0_8/TWO) * sin(6.0_8*phi) ! l = 8, m = -5 rn(4) = 4.38985792528482d-5*(w2m1)**(5.0_8/TWO)* & - ((675675.0_8/TWO)*w**3 - 135135.0_8/TWO*w) * sin(5.0_8*phi) + ((675675.0_8/TWO)*w**3 - 135135.0_8/TWO*w) * sin(5.0_8*phi) ! l = 8, m = -4 rn(5) = 0.000316557156832328_8 * (w2m1)**2* & - ((675675.0_8/8.0_8)*w**4 - 135135.0_8/4.0_8 * w**2 + 10395.0_8/8.0_8) * sin(4.0_8*phi) + ((675675.0_8/8.0_8)*w**4 - 135135.0_8/4.0_8 * w**2 & + + 10395.0_8/8.0_8) * sin(4.0_8*phi) ! l = 8, m = -3 - rn(6) = 0.00245204119306875_8 * (w2m1)**(3.0_8/TWO)* & - ((135135.0_8/8.0_8)*w**5 - 45045.0_8/4.0_8 * w**3 + (10395.0_8/8.0_8)*w) * sin(3.0_8*phi) + rn(6) = 0.00245204119306875_8 * (w2m1)**(THREE/TWO)* & + ((135135.0_8/8.0_8)*w**5 - 45045.0_8/4.0_8 * w**3 & + + (10395.0_8/8.0_8)*w) * sin(THREE*phi) ! l = 8, m = -2 rn(7) = 0.0199204768222399_8 * (w2m1)* & - ((45045.0_8/16.0_8)*w**6- 45045.0_8/16.0_8 * w**4 + & - (10395.0_8/16.0_8)*w**2 - 315.0_8/16.0_8) * sin(TWO*phi) + ((45045.0_8/16.0_8)*w**6- 45045.0_8/16.0_8 * w**4 + & + (10395.0_8/16.0_8)*w**2 - 315.0_8/16.0_8) * sin(TWO*phi) ! l = 8, m = -1 rn(8) = 0.166666666666667_8*sqrt(w2m1)* & - ((6435.0_8/16.0_8)*w**7 - 9009.0_8/16.0_8 * w**5 + & - (3465.0_8/16.0_8)*w**3 - 315.0_8/16.0_8 * w) * sin(phi) + ((6435.0_8/16.0_8)*w**7 - 9009.0_8/16.0_8 * w**5 + & + (3465.0_8/16.0_8)*w**3 - 315.0_8/16.0_8 * w) * sin(phi) ! l = 8, m = 0 rn(9) = 50.2734375_8 * w**8 - 93.84375_8 * w**6 + 54.140625_8 * w**4 -& - 9.84375_8 * w**2 + 0.2734375_8 + 9.84375_8 * w**2 + 0.2734375_8 ! l = 8, m = 1 rn(10) = 0.166666666666667_8*sqrt(w2m1)* & - ((6435.0_8/16.0_8)*w**7 - 9009.0_8/16.0_8 * w**5 + & - (3465.0_8/16.0_8)*w**3 - 315.0_8/16.0_8 * w) * cos(phi) + ((6435.0_8/16.0_8)*w**7 - 9009.0_8/16.0_8 * w**5 + & + (3465.0_8/16.0_8)*w**3 - 315.0_8/16.0_8 * w) * cos(phi) ! l = 8, m = 2 rn(11) = 0.0199204768222399_8 * (w2m1)*((45045.0_8/16.0_8)*w**6- & - 45045.0_8/16.0_8 * w**4 + (10395.0_8/16.0_8)*w**2 - & - 315.0_8/16.0_8) * cos(TWO*phi) + 45045.0_8/16.0_8 * w**4 + (10395.0_8/16.0_8)*w**2 - & + 315.0_8/16.0_8) * cos(TWO*phi) ! l = 8, m = 3 - rn(12) = 0.00245204119306875_8 * (w2m1)**(3.0_8/TWO)* & - ((135135.0_8/8.0_8)*w**5 - 45045.0_8/4.0_8 * w**3 + & - (10395.0_8/8.0_8)*w) * cos(3.0_8*phi) + rn(12) = 0.00245204119306875_8 * (w2m1)**(THREE/TWO)* & + ((135135.0_8/8.0_8)*w**5 - 45045.0_8/4.0_8 * w**3 + & + (10395.0_8/8.0_8)*w) * cos(THREE*phi) ! l = 8, m = 4 rn(13) = 0.000316557156832328_8 * (w2m1)**2*((675675.0_8/8.0_8)*w**4 - & - 135135.0_8/4.0_8 * w**2 + 10395.0_8/8.0_8) * cos(4.0_8*phi) + 135135.0_8/4.0_8 * w**2 + 10395.0_8/8.0_8) * cos(4.0_8*phi) ! l = 8, m = 5 - rn(14) = 4.38985792528482d-5*(w2m1)**(5.0_8/TWO)*((675675.0_8/TWO)*w**3 - & - 135135.0_8/TWO*w) * cos(5.0_8*phi) + rn(14) = 4.38985792528482d-5*(w2m1)**(5.0_8/TWO)*((675675.0_8/TWO)*w**3 -& + 135135.0_8/TWO*w) * cos(5.0_8*phi) ! l = 8, m = 6 rn(15) = 6.77369783729086d-6*(w2m1)**3*((2027025.0_8/TWO)*w**2 - & - 135135.0_8/TWO) * cos(6.0_8*phi) + 135135.0_8/TWO) * cos(6.0_8*phi) ! l = 8, m = 7 rn(16) = 2.50682661696018_8 * w*(w2m1)**(7.0_8/TWO) * cos(7.0_8*phi) ! l = 8, m = 8 @@ -419,54 +428,56 @@ contains rn(2) = 2.58397773170915_8 * w*(w2m1)**4 * sin(8.0_8*phi) ! l = 9, m = -7 rn(3) = 4.37240315267812d-7*(w2m1)**(7.0_8/TWO)* & - ((34459425.0_8/TWO)*w**2 - 2027025.0_8/TWO) * sin(7.0_8*phi) + ((34459425.0_8/TWO)*w**2 - 2027025.0_8/TWO) * sin(7.0_8*phi) ! l = 9, m = -6 rn(4) = 3.02928976464514d-6*(w2m1)**3* & - ((11486475.0_8/TWO)*w**3 - 2027025.0_8/TWO*w) * sin(6.0_8*phi) + ((11486475.0_8/TWO)*w**3 - 2027025.0_8/TWO*w) * sin(6.0_8*phi) ! l = 9, m = -5 rn(5) = 2.34647776186144d-5*(w2m1)**(5.0_8/TWO)* & - ((11486475.0_8/8.0_8)*w**4 - 2027025.0_8/4.0_8 * w**2 + & - 135135.0_8/8.0_8) * sin(5.0_8*phi) + ((11486475.0_8/8.0_8)*w**4 - 2027025.0_8/4.0_8 * w**2 + & + 135135.0_8/8.0_8) * sin(5.0_8*phi) ! l = 9, m = -4 rn(6) = 0.000196320414650061_8 * (w2m1)**2*((2297295.0_8/8.0_8)*w**5 - & - 675675.0_8/4.0_8 * w**3 + (135135.0_8/8.0_8)*w) * sin(4.0_8*phi) + 675675.0_8/4.0_8 * w**3 + (135135.0_8/8.0_8)*w) * sin(4.0_8*phi) ! l = 9, m = -3 - rn(7) = 0.00173385495536766_8 * (w2m1)**(3.0_8/TWO)* & - ((765765.0_8/16.0_8)*w**6 - 675675.0_8/16.0_8 * w**4 + & - (135135.0_8/16.0_8)*w**2 - 3465.0_8/16.0_8) * sin(3.0_8*phi) + rn(7) = 0.00173385495536766_8 * (w2m1)**(THREE/TWO)* & + ((765765.0_8/16.0_8)*w**6 - 675675.0_8/16.0_8 * w**4 + & + (135135.0_8/16.0_8)*w**2 - 3465.0_8/16.0_8) * sin(THREE*phi) ! l = 9, m = -2 rn(8) = 0.0158910431540932_8 * (w2m1)*((109395.0_8/16.0_8)*w**7- & - 135135.0_8/16.0_8 * w**5 + (45045.0_8/16.0_8)*w**3 - 3465.0_8/16.0_8 * w)* & - sin(TWO*phi) + 135135.0_8/16.0_8 * w**5 + (45045.0_8/16.0_8)*w**3 & + - 3465.0_8/16.0_8 * w) * sin(TWO*phi) ! l = 9, m = -1 rn(9) = 0.149071198499986_8*sqrt(w2m1)*((109395.0_8/128.0_8)*w**8 - & - 45045.0_8/32.0_8 * w**6 + (45045.0_8/64.0_8)*w**4 - 3465.0_8/32.0_8 * w**2 + 315.0_8/128.0_8) * sin(phi) + 45045.0_8/32.0_8 * w**6 + (45045.0_8/64.0_8)*w**4 - 3465.0_8/32.0_8 & + * w**2 + 315.0_8/128.0_8) * sin(phi) ! l = 9, m = 0 rn(10) = 94.9609375_8 * w**9 - 201.09375_8 * w**7 + 140.765625_8 * w**5- & - 36.09375_8 * w**3 + 2.4609375_8 * w + 36.09375_8 * w**3 + 2.4609375_8 * w ! l = 9, m = 1 rn(11) = 0.149071198499986_8*sqrt(w2m1)*((109395.0_8/128.0_8)*w**8 - & - 45045.0_8/32.0_8 * w**6 + (45045.0_8/64.0_8)*w**4 -3465.0_8/32.0_8 * w**2 + 315.0_8/128.0_8) * cos(phi) + 45045.0_8/32.0_8 * w**6 + (45045.0_8/64.0_8)*w**4 -3465.0_8/32.0_8 & + * w**2 + 315.0_8/128.0_8) * cos(phi) ! l = 9, m = 2 rn(12) = 0.0158910431540932_8 * (w2m1)*((109395.0_8/16.0_8)*w**7 - & - 135135.0_8/16.0_8 * w**5 + (45045.0_8/16.0_8)*w**3 - 3465.0_8/ 16.0_8 * w) * & - cos(TWO*phi) + 135135.0_8/16.0_8 * w**5 + (45045.0_8/16.0_8)*w**3 & + - 3465.0_8/ 16.0_8 * w) * cos(TWO*phi) ! l = 9, m = 3 - rn(13) = 0.00173385495536766_8 * (w2m1)**(3.0_8/TWO)*((765765.0_8/16.0_8)*w**6 - & - 675675.0_8/16.0_8 * w**4 + (135135.0_8/16.0_8)*w**2 - 3465.0_8/16.0_8)* & - cos(3.0_8*phi) + rn(13) = 0.00173385495536766_8 * (w2m1)**(THREE/TWO)*((765765.0_8/16.0_8)& + *w**6 - 675675.0_8/16.0_8 * w**4 + (135135.0_8/16.0_8)*w**2 & + - 3465.0_8/16.0_8)* cos(THREE*phi) ! l = 9, m = 4 rn(14) = 0.000196320414650061_8 * (w2m1)**2*((2297295.0_8/8.0_8)*w**5 - & - 675675.0_8/4.0_8 * w**3 + (135135.0_8/8.0_8)*w) * cos(4.0_8*phi) + 675675.0_8/4.0_8 * w**3 + (135135.0_8/8.0_8)*w) * cos(4.0_8*phi) ! l = 9, m = 5 rn(15) = 2.34647776186144d-5*(w2m1)**(5.0_8/TWO)*((11486475.0_8/8.0_8)* & - w**4 - 2027025.0_8/4.0_8 * w**2 + 135135.0_8/8.0_8) * cos(5.0_8*phi) + w**4 - 2027025.0_8/4.0_8 * w**2 + 135135.0_8/8.0_8) * cos(5.0_8*phi) ! l = 9, m = 6 rn(16) = 3.02928976464514d-6*(w2m1)**3*((11486475.0_8/TWO)*w**3 - & - 2027025.0_8/TWO*w) * cos(6.0_8*phi) + 2027025.0_8/TWO*w) * cos(6.0_8*phi) ! l = 9, m = 7 rn(17) = 4.37240315267812d-7*(w2m1)**(7.0_8/TWO)* & - ((34459425.0_8/TWO)*w**2 - 2027025.0_8/TWO) * cos(7.0_8*phi) + ((34459425.0_8/TWO)*w**2 - 2027025.0_8/TWO) * cos(7.0_8*phi) ! l = 9, m = 8 rn(18) = 2.58397773170915_8 * w*(w2m1)**4 * cos(8.0_8*phi) ! l = 9, m = 9 @@ -478,65 +489,65 @@ contains rn(2) = 2.65478475211798_8 * w*(w2m1)**(9.0_8/TWO) * sin(9.0_8*phi) ! l = 10, m = -8 rn(3) = 2.49953651452314d-8*(w2m1)**4*((654729075.0_8/TWO)*w**2 - & - 34459425.0_8/TWO) * sin(8.0_8*phi) + 34459425.0_8/TWO) * sin(8.0_8*phi) ! l = 10, m = -7 rn(4) = 1.83677671621093d-7*(w2m1)**(7.0_8/TWO)* & - ((218243025.0_8/TWO)*w**3 - 34459425.0_8/TWO*w) * sin(7.0_8*phi) + ((218243025.0_8/TWO)*w**3 - 34459425.0_8/TWO*w) * sin(7.0_8*phi) ! l = 10, m = -6 rn(5) = 1.51464488232257d-6*(w2m1)**3*((218243025.0_8/8.0_8)*w**4 - & - 34459425.0_8/4.0_8 * w**2 + 2027025.0_8/8.0_8) * sin(6.0_8*phi) + 34459425.0_8/4.0_8 * w**2 + 2027025.0_8/8.0_8) * sin(6.0_8*phi) ! l = 10, m = -5 rn(6) = 1.35473956745817d-5*(w2m1)**(5.0_8/TWO)* & - ((43648605.0_8/8.0_8)*w**5 - 11486475.0_8/4.0_8 * w**3 + & - (2027025.0_8/8.0_8)*w) * sin(5.0_8*phi) + ((43648605.0_8/8.0_8)*w**5 - 11486475.0_8/4.0_8 * w**3 + & + (2027025.0_8/8.0_8)*w) * sin(5.0_8*phi) ! l = 10, m = -4 rn(7) = 0.000128521880085575_8 * (w2m1)**2*((14549535.0_8/16.0_8)*w**6 - & - 11486475.0_8/16.0_8 * w**4 + (2027025.0_8/16.0_8)*w**2 - & - 45045.0_8/16.0_8) * sin(4.0_8*phi) + 11486475.0_8/16.0_8 * w**4 + (2027025.0_8/16.0_8)*w**2 - & + 45045.0_8/16.0_8) * sin(4.0_8*phi) ! l = 10, m = -3 - rn(8) = 0.00127230170115096_8 * (w2m1)**(3.0_8/TWO)* & - ((2078505.0_8/16.0_8)*w**7 - 2297295.0_8/16.0_8 * w**5 + & - (675675.0_8/16.0_8)*w**3 - 45045.0_8/16.0_8 * w) * sin(3.0_8*phi) + rn(8) = 0.00127230170115096_8 * (w2m1)**(THREE/TWO)* & + ((2078505.0_8/16.0_8)*w**7 - 2297295.0_8/16.0_8 * w**5 + & + (675675.0_8/16.0_8)*w**3 - 45045.0_8/16.0_8 * w) * sin(THREE*phi) ! l = 10, m = -2 rn(9) = 0.012974982402692_8 * (w2m1)*((2078505.0_8/128.0_8)*w**8 - & - 765765.0_8/32.0_8 * w**6 + (675675.0_8/64.0_8)*w**4 - & - 45045.0_8/32.0_8 * w**2 + 3465.0_8/128.0_8) * sin(TWO*phi) + 765765.0_8/32.0_8 * w**6 + (675675.0_8/64.0_8)*w**4 - & + 45045.0_8/32.0_8 * w**2 + 3465.0_8/128.0_8) * sin(TWO*phi) ! l = 10, m = -1 rn(10) = 0.134839972492648_8*sqrt(w2m1)*((230945.0_8/128.0_8)*w**9 - & - 109395.0_8/32.0_8 * w**7 + (135135.0_8/64.0_8)*w**5 - & - 15015.0_8/32.0_8 * w**3 + (3465.0_8/128.0_8)*w) * sin(phi) + 109395.0_8/32.0_8 * w**7 + (135135.0_8/64.0_8)*w**5 - & + 15015.0_8/32.0_8 * w**3 + (3465.0_8/128.0_8)*w) * sin(phi) ! l = 10, m = 0 - rn(11) = 180.42578125_8 * w**10 - 427.32421875_8 * w**8 +351.9140625_8 * w**6 - & - 117.3046875_8 * w**4 + 13.53515625_8 * w**2 -0.24609375_8 + rn(11) = 180.42578125_8 * w**10 - 427.32421875_8 * w**8 +351.9140625_8 & + * w**6 - 117.3046875_8 * w**4 + 13.53515625_8 * w**2 -0.24609375_8 ! l = 10, m = 1 rn(12) = 0.134839972492648_8*sqrt(w2m1)*((230945.0_8/128.0_8)*w**9 - & - 109395.0_8/32.0_8 * w**7 + (135135.0_8/64.0_8)*w**5 -15015.0_8/ & - 32.0_8 * w**3 + (3465.0_8/128.0_8)*w) * cos(phi) + 109395.0_8/32.0_8 * w**7 + (135135.0_8/64.0_8)*w**5 -15015.0_8/ & + 32.0_8 * w**3 + (3465.0_8/128.0_8)*w) * cos(phi) ! l = 10, m = 2 rn(13) = 0.012974982402692_8 * (w2m1)*((2078505.0_8/128.0_8)*w**8 - & - 765765.0_8/32.0_8 * w**6 + (675675.0_8/64.0_8)*w**4 -& - 45045.0_8/32.0_8 * w**2 + 3465.0_8/128.0_8) * cos(TWO*phi) + 765765.0_8/32.0_8 * w**6 + (675675.0_8/64.0_8)*w**4 -& + 45045.0_8/32.0_8 * w**2 + 3465.0_8/128.0_8) * cos(TWO*phi) ! l = 10, m = 3 - rn(14) = 0.00127230170115096_8 * (w2m1)**(3.0_8/TWO)* & - ((2078505.0_8/16.0_8)*w**7 - 2297295.0_8/16.0_8 * w**5 + & - (675675.0_8/16.0_8)*w**3 - 45045.0_8/16.0_8 * w) * cos(3.0_8*phi) + rn(14) = 0.00127230170115096_8 * (w2m1)**(THREE/TWO)* & + ((2078505.0_8/16.0_8)*w**7 - 2297295.0_8/16.0_8 * w**5 + & + (675675.0_8/16.0_8)*w**3 - 45045.0_8/16.0_8 * w) * cos(THREE*phi) ! l = 10, m = 4 - rn(15) = 0.000128521880085575_8 * (w2m1)**2*((14549535.0_8/16.0_8)*w**6 - & - 11486475.0_8/16.0_8 * w**4 + (2027025.0_8/16.0_8)*w**2 - & - 45045.0_8/16.0_8) * cos(4.0_8*phi) + rn(15) = 0.000128521880085575_8 * (w2m1)**2*((14549535.0_8/16.0_8)*w**6 -& + 11486475.0_8/16.0_8 * w**4 + (2027025.0_8/16.0_8)*w**2 - & + 45045.0_8/16.0_8) * cos(4.0_8*phi) ! l = 10, m = 5 rn(16) = 1.35473956745817d-5*(w2m1)**(5.0_8/TWO)* & - ((43648605.0_8/8.0_8)*w**5 - 11486475.0_8/4.0_8 * w**3 + & - (2027025.0_8/8.0_8)*w) * cos(5.0_8*phi) + ((43648605.0_8/8.0_8)*w**5 - 11486475.0_8/4.0_8 * w**3 + & + (2027025.0_8/8.0_8)*w) * cos(5.0_8*phi) ! l = 10, m = 6 rn(17) = 1.51464488232257d-6*(w2m1)**3*((218243025.0_8/8.0_8)*w**4 - & - 34459425.0_8/4.0_8 * w**2 + 2027025.0_8/8.0_8) * cos(6.0_8*phi) + 34459425.0_8/4.0_8 * w**2 + 2027025.0_8/8.0_8) * cos(6.0_8*phi) ! l = 10, m = 7 rn(18) = 1.83677671621093d-7*(w2m1)**(7.0_8/TWO)* & - ((218243025.0_8/TWO)*w**3 - 34459425.0_8/TWO*w) * cos(7.0_8*phi) + ((218243025.0_8/TWO)*w**3 - 34459425.0_8/TWO*w) * cos(7.0_8*phi) ! l = 10, m = 8 rn(19) = 2.49953651452314d-8*(w2m1)**4* & - ((654729075.0_8/TWO)*w**2 - 34459425.0_8/TWO) * cos(8.0_8*phi) + ((654729075.0_8/TWO)*w**2 - 34459425.0_8/TWO) * cos(8.0_8*phi) ! l = 10, m = 9 rn(20) = 2.65478475211798_8 * w*(w2m1)**(9.0_8/TWO) * cos(9.0_8*phi) ! l = 10, m = 10 diff --git a/src/matrix_header.F90 b/src/matrix_header.F90 index 3e3d4ad0db..b2cd3b1291 100644 --- a/src/matrix_header.F90 +++ b/src/matrix_header.F90 @@ -1,9 +1,5 @@ module matrix_header -#ifdef PETSC - use petscmat -#endif - implicit none private @@ -15,33 +11,21 @@ module matrix_header integer, allocatable :: row(:) ! csr row vector integer, allocatable :: col(:) ! column vector real(8), allocatable :: val(:) ! matrix value vector -# ifdef PETSC - type(mat) :: petsc_mat -# endif - logical :: petsc_active - contains - procedure :: create => matrix_create - procedure :: destroy => matrix_destroy - procedure :: add_value => matrix_add_value - procedure :: new_row => matrix_new_row - procedure :: assemble => matrix_assemble - procedure :: get_row => matrix_get_row - procedure :: get_col => matrix_get_col - procedure :: vector_multiply => matrix_vector_multiply - procedure :: search_indices => matrix_search_indices - procedure :: write => matrix_write - procedure :: copy => matrix_copy -# ifdef PETSC - procedure :: setup_petsc => matrix_setup_petsc - procedure :: write_petsc_binary => matrix_write_petsc_binary - procedure :: transpose => matrix_transpose -# endif + contains + procedure :: create => matrix_create + procedure :: destroy => matrix_destroy + procedure :: add_value => matrix_add_value + procedure :: new_row => matrix_new_row + procedure :: assemble => matrix_assemble + procedure :: get_row => matrix_get_row + procedure :: get_col => matrix_get_col + procedure :: vector_multiply => matrix_vector_multiply + procedure :: search_indices => matrix_search_indices + procedure :: write => matrix_write + procedure :: copy => matrix_copy + procedure :: transpose => matrix_transpose end type matrix -#ifdef PETSC - integer :: petsc_err -#endif - contains !=============================================================================== @@ -67,9 +51,6 @@ contains self % n = n self % nnz = nnz - ! Set PETSc active by default to false - self % petsc_active = .false. - end subroutine matrix_create !=============================================================================== @@ -80,10 +61,6 @@ contains class(Matrix), intent(inout) :: self ! matrix instance -#ifdef PETSC - if (self % petsc_active) call MatDestroy(self % petsc_mat, petsc_err) -#endif - if (allocated(self % row)) deallocate(self % row) if (allocated(self % col)) deallocate(self % col) if (allocated(self % val)) deallocate(self % val) @@ -104,10 +81,6 @@ contains self % col(self % nz_count) = col self % val(self % nz_count) = val - ! Need to adjust column indices if PETSc is active - if (self % petsc_active) self % col(self % nz_count) = & - self % col(self % nz_count) - 1 - ! Increment the number of nonzeros currently stored self % nz_count = self % nz_count + 1 @@ -124,10 +97,6 @@ contains ! Record the current number of nonzeros self % row(self % n_count) = self % nz_count - ! If PETSc is active, we have to reference indices off 0 - if (self % petsc_active) self % row(self % n_count) = & - self % row(self % n_count) - 1 - ! Increment the current row that we are on self % n_count = self % n_count + 1 @@ -239,7 +208,7 @@ contains end subroutine split !=============================================================================== -! MATRIX_GET_ROW is a method to get row and checks for PETSc C indexing use +! MATRIX_GET_ROW is a method to get row !=============================================================================== function matrix_get_row(self, i) result(row) @@ -250,12 +219,10 @@ contains row = self % row(i) - if (self % petsc_active) row = row + 1 - end function matrix_get_row !=============================================================================== -! MATRIX_GET_COL is a method to get column and checks for PETSc C index use +! MATRIX_GET_COL is a method to get column !=============================================================================== function matrix_get_col(self, i) result(col) @@ -266,67 +233,45 @@ contains col = self % col(i) - if (self % petsc_active) col = col + 1 - end function matrix_get_col !=============================================================================== -! MATRIX_SETUP_PETSC configures the row/col vectors and links to a PETSc object +! MATRIX_TRANSPOSE transposes a sparse matrix !=============================================================================== -#ifdef PETSC - subroutine matrix_setup_petsc(self) + function matrix_transpose(self) result(mat) - class(Matrix), intent(inout) :: self ! matrix instance + class(Matrix), intent(in) :: self ! matrix instance + type(Matrix) :: mat ! transposed matrix - ! change indices to c notation - self % row = self % row - 1 - self % col = self % col - 1 + integer :: i, j ! loop indices for row/column + integer :: i_transpose ! loop index for row in transposed matrix + integer :: first, last ! indices in col() array - ! Link to petsc - call MatCreateSeqAIJWithArrays(PETSC_COMM_WORLD, self % n, self % n, & - self % row, self % col, self % val, self % petsc_mat, petsc_err) + call mat % create(self % n, self % nnz) + do i_transpose = 1, mat % n + ! Set up row in transposed matrix + call mat % new_row() - ! Petsc is now active - self % petsc_active = .true. + ROW: do i = 1, self % n + ! Get range of columns for row i + first = self % row(i) + last = self % row(i+1) - 1 - end subroutine matrix_setup_petsc -#endif + COL: do j = first, last + if (self % col(j) == i_transpose) then + ! If column in original matrix matches row in transposed, add value + call mat % add_value(i, self % val(j)) + elseif (self % col(j) > i_transpose) then + exit COL + end if + end do COL + end do ROW + end do -!=============================================================================== -! MATRIX_WRITE_PETSC_BINARY writes a PETSc matrix binary file -!=============================================================================== + call mat % new_row() -#ifdef PETSC - subroutine matrix_write_petsc_binary(self, filename) - - character(*), intent(in) :: filename ! file name to write to - class(Matrix), intent(in) :: self ! matrix instance - - type(PetscViewer) :: viewer ! a petsc viewer instance - - call PetscViewerBinaryOpen(PETSC_COMM_WORLD, trim(filename), & - FILE_MODE_WRITE, viewer, petsc_err) - call MatView(self % petsc_mat, viewer, petsc_err) - call PetscViewerDestroy(viewer, petsc_err) - - end subroutine matrix_write_petsc_binary -#endif - -!=============================================================================== -! MATRIX_TRANSPOSE uses PETSc to transpose a matrix -!=============================================================================== - -#ifdef PETSC - subroutine matrix_transpose(self) - - class(Matrix), intent(inout) :: self ! matrix instance - - call MatTranspose(self % petsc_mat, MAT_REUSE_MATRIX, self % petsc_mat, & - petsc_err) - - end subroutine matrix_transpose -#endif + end function matrix_transpose !=============================================================================== ! MATRIX_VECTOR_MULTIPLY allow a vector to multiply the matrix @@ -363,7 +308,7 @@ contains end subroutine matrix_vector_multiply !=============================================================================== -! MATRIX_SEARCH_INDICES searches for an index in column corresponding to a row +! MATRIX_SEARCH_INDICES searches for an index in column corresponding to a row !=============================================================================== subroutine matrix_search_indices(self, row, col, idx, found) @@ -435,9 +380,6 @@ contains if (.not.allocated(self % col)) allocate(self % col(self % nnz)) if (.not.allocated(self % val)) allocate(self % val(self % nnz)) - ! Set PETSc active to false - self % petsc_active = .false. - ! Copy over data self % row = mattocopy % row self % col = mattocopy % col diff --git a/src/mesh.F90 b/src/mesh.F90 index 491b3407f1..b9d85f4397 100644 --- a/src/mesh.F90 +++ b/src/mesh.F90 @@ -7,7 +7,7 @@ module mesh use search, only: binary_search #ifdef MPI - use mpi + use message_passing #endif implicit none diff --git a/src/message_passing.F90 b/src/message_passing.F90 new file mode 100644 index 0000000000..75d0bd301f --- /dev/null +++ b/src/message_passing.F90 @@ -0,0 +1,11 @@ +module message_passing + +#ifdef MPI +#ifdef MPIF08 + use mpi_f08 +#else + use mpi +#endif +#endif + +end module message_passing diff --git a/src/mpiio_interface.F90 b/src/mpiio_interface.F90 index 30093adec9..b9652c8ae4 100644 --- a/src/mpiio_interface.F90 +++ b/src/mpiio_interface.F90 @@ -1,10 +1,17 @@ module mpiio_interface #ifdef MPI - use mpi +#ifndef HDF5 + use message_passing implicit none +#ifdef MPIF08 +#define FH_TYPE type(MPI_File) +#else +#define FH_TYPE integer +#endif + integer :: mpiio_err ! MPI error code ! Generic HDF5 write procedure interface @@ -48,11 +55,11 @@ contains subroutine mpi_create_file(filename, fh) character(*), intent(in) :: filename ! name of file to create - integer, intent(inout) :: fh ! file handle + FH_TYPE, intent(inout) :: fh ! file handle ! Create the file call MPI_FILE_OPEN(MPI_COMM_WORLD, filename, MPI_MODE_CREATE + & - MPI_MODE_WRONLY, MPI_INFO_NULL, fh, mpiio_err) + MPI_MODE_WRONLY, MPI_INFO_NULL, fh, mpiio_err) end subroutine mpi_create_file @@ -64,7 +71,7 @@ contains character(*), intent(in) :: filename ! name of file to open character(*), intent(in) :: mode ! open 'r' read, 'w' write - integer, intent(inout) :: fh ! file handle + FH_TYPE, intent(inout) :: fh ! file handle integer :: open_mode @@ -76,7 +83,7 @@ contains ! Create the file call MPI_FILE_OPEN(MPI_COMM_WORLD, filename, & - open_mode, MPI_INFO_NULL, fh, mpiio_err) + open_mode, MPI_INFO_NULL, fh, mpiio_err) end subroutine mpi_open_file @@ -86,7 +93,7 @@ contains subroutine mpi_close_file(fh) - integer, intent(inout) :: fh ! file handle + FH_TYPE, intent(inout) :: fh ! file handle call MPI_FILE_CLOSE(fh, mpiio_err) @@ -98,16 +105,16 @@ contains subroutine mpi_write_integer(fh, buffer, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: buffer ! data to write logical, intent(in) :: collect ! collective I/O if (collect) then call MPI_FILE_WRITE_ALL(fh, buffer, 1, MPI_INTEGER, & - MPI_STATUS_IGNORE, mpiio_err) + MPI_STATUS_IGNORE, mpiio_err) else call MPI_FILE_WRITE(fh, buffer, 1, MPI_INTEGER, & - MPI_STATUS_IGNORE, mpiio_err) + MPI_STATUS_IGNORE, mpiio_err) end if end subroutine mpi_write_integer @@ -118,17 +125,17 @@ contains subroutine mpi_read_integer(fh, buffer, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(inout) :: buffer ! read data to here logical, intent(in) :: collect ! collective I/O - if (collect) then - call MPI_FILE_READ_ALL(fh, buffer, 1, MPI_INTEGER, & - MPI_STATUS_IGNORE, mpiio_err) - else - call MPI_FILE_READ(fh, buffer, 1, MPI_INTEGER, & - MPI_STATUS_IGNORE, mpiio_err) - end if + if (collect) then + call MPI_FILE_READ_ALL(fh, buffer, 1, MPI_INTEGER, & + MPI_STATUS_IGNORE, mpiio_err) + else + call MPI_FILE_READ(fh, buffer, 1, MPI_INTEGER, & + MPI_STATUS_IGNORE, mpiio_err) + end if end subroutine mpi_read_integer @@ -138,7 +145,7 @@ contains subroutine mpi_write_integer_1Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length ! length of array integer, intent(in) :: buffer(:) ! data to write logical, intent(in) :: collect ! collective I/O @@ -159,7 +166,7 @@ contains subroutine mpi_read_integer_1Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length ! length of array integer, intent(inout) :: buffer(:) ! read data to here logical, intent(in) :: collect ! collective I/O @@ -180,7 +187,7 @@ contains subroutine mpi_write_integer_2Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(2) ! length of array integer, intent(in) :: buffer(length(1),length(2)) ! data to write logical, intent(in) :: collect ! collective I/O @@ -201,7 +208,7 @@ contains subroutine mpi_read_integer_2Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(2) ! length of array integer, intent(inout) :: buffer(length(1),length(2)) ! read data to here logical, intent(in) :: collect ! collective I/O @@ -222,7 +229,7 @@ contains subroutine mpi_write_integer_3Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(3) ! length of array integer, intent(in) :: buffer(length(1),length(2),& length(3)) ! data to write @@ -244,7 +251,7 @@ contains subroutine mpi_read_integer_3Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(3) ! length of array integer, intent(inout) :: buffer(length(1),length(2), & length(3)) ! read data to here @@ -266,7 +273,7 @@ contains subroutine mpi_write_integer_4Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(4) ! length of array integer, intent(in) :: buffer(length(1),length(2),& length(3),length(4)) ! data to write @@ -288,7 +295,7 @@ contains subroutine mpi_read_integer_4Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(4) ! length of array integer, intent(inout) :: buffer(length(1),length(2), & length(3),length(4)) ! read data to here @@ -310,16 +317,16 @@ contains subroutine mpi_write_double(fh, buffer, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle real(8), intent(in) :: buffer ! data to write logical, intent(in) :: collect ! collective I/O if (collect) then call MPI_FILE_WRITE_ALL(fh, buffer, 1, MPI_REAL8, & - MPI_STATUS_IGNORE, mpiio_err) + MPI_STATUS_IGNORE, mpiio_err) else call MPI_FILE_WRITE(fh, buffer, 1, MPI_REAL8, & - MPI_STATUS_IGNORE, mpiio_err) + MPI_STATUS_IGNORE, mpiio_err) end if end subroutine mpi_write_double @@ -330,17 +337,17 @@ contains subroutine mpi_read_double(fh, buffer, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle real(8), intent(inout) :: buffer ! read data to here logical, intent(in) :: collect ! collective I/O - if (collect) then - call MPI_FILE_READ_ALL(fh, buffer, 1, MPI_REAL8, & - MPI_STATUS_IGNORE, mpiio_err) - else - call MPI_FILE_READ(fh, buffer, 1, MPI_REAL8, & - MPI_STATUS_IGNORE, mpiio_err) - end if + if (collect) then + call MPI_FILE_READ_ALL(fh, buffer, 1, MPI_REAL8, & + MPI_STATUS_IGNORE, mpiio_err) + else + call MPI_FILE_READ(fh, buffer, 1, MPI_REAL8, & + MPI_STATUS_IGNORE, mpiio_err) + end if end subroutine mpi_read_double @@ -350,7 +357,7 @@ contains subroutine mpi_write_double_1Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length ! length of array real(8), intent(in) :: buffer(:) ! data to write logical, intent(in) :: collect ! collective I/O @@ -371,7 +378,7 @@ contains subroutine mpi_read_double_1Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length ! length of array real(8), intent(inout) :: buffer(:) ! read data to here logical, intent(in) :: collect ! collective I/O @@ -392,7 +399,7 @@ contains subroutine mpi_write_double_2Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(2) ! length of array real(8), intent(in) :: buffer(length(1),length(2)) ! data to write logical, intent(in) :: collect ! collective I/O @@ -413,7 +420,7 @@ contains subroutine mpi_read_double_2Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(2) ! length of array real(8), intent(inout) :: buffer(length(1),length(2)) ! read data to here logical, intent(in) :: collect ! collective I/O @@ -434,7 +441,7 @@ contains subroutine mpi_write_double_3Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(3) ! length of array real(8), intent(in) :: buffer(length(1),length(2),& length(3)) ! data to write @@ -456,7 +463,7 @@ contains subroutine mpi_read_double_3Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(3) ! length of array real(8), intent(inout) :: buffer(length(1),length(2), & length(3)) ! read data to here @@ -478,7 +485,7 @@ contains subroutine mpi_write_double_4Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(4) ! length of array real(8), intent(in) :: buffer(length(1),length(2),& length(3),length(4)) ! data to write @@ -500,7 +507,7 @@ contains subroutine mpi_read_double_4Darray(fh, buffer, length, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length(4) ! length of array real(8), intent(inout) :: buffer(length(1),length(2), & length(3),length(4)) ! read data to here @@ -522,7 +529,7 @@ contains subroutine mpi_write_long(fh, buffer, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer(8), intent(in) :: buffer ! data to write logical, intent(in) :: collect ! collective I/O @@ -542,7 +549,7 @@ contains subroutine mpi_read_long(fh, buffer, collect) - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer(8), intent(inout) :: buffer ! read data to here logical, intent(in) :: collect ! collective I/O @@ -563,7 +570,7 @@ contains subroutine mpi_write_string(fh, buffer, length, collect) character(*), intent(in) :: buffer ! data to write - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length ! length of data logical, intent(in) :: collect ! collective I/O @@ -584,7 +591,7 @@ contains subroutine mpi_read_string(fh, buffer, length, collect) character(*), intent(inout) :: buffer ! read data to here - integer, intent(in) :: fh ! file handle + FH_TYPE, intent(in) :: fh ! file handle integer, intent(in) :: length ! length of string logical, intent(in) :: collect ! collective I/O @@ -598,5 +605,6 @@ contains end subroutine mpi_read_string +#endif #endif end module mpiio_interface diff --git a/src/output.F90 b/src/output.F90 index 739ab9c11e..939451c6fb 100644 --- a/src/output.F90 +++ b/src/output.F90 @@ -5,8 +5,9 @@ module output use ace_header, only: Nuclide, Reaction, UrrData use constants use endf, only: reaction_name - use error, only: warning - use geometry_header, only: Cell, Universe, Surface, BASE_UNIVERSE + use error, only: fatal_error, warning + use geometry_header, only: Cell, Universe, Surface, Lattice, RectLattice, & + HexLattice, BASE_UNIVERSE use global use math, only: t_percentile use mesh_header, only: StructuredMesh @@ -256,8 +257,7 @@ contains type(Cell), pointer :: c => null() type(Surface), pointer :: s => null() type(Universe), pointer :: u => null() - type(Lattice), pointer :: l => null() - type(LocalCoord), pointer :: coord => null() + class(Lattice), pointer :: l => null() ! display type of particle select case (p % type) @@ -272,39 +272,34 @@ contains end select ! loop through each level of universes - coord => p % coord0 - i = 0 - do while(associated(coord)) + do i = 1, p % n_coord ! Print level - write(ou,*) ' Level ' // trim(to_str(i)) + write(ou,*) ' Level ' // trim(to_str(i - 1)) ! Print cell for this level - if (coord % cell /= NONE) then - c => cells(coord % cell) + if (p % coord(i) % cell /= NONE) then + c => cells(p % coord(i) % cell) write(ou,*) ' Cell = ' // trim(to_str(c % id)) end if ! Print universe for this level - if (coord % universe /= NONE) then - u => universes(coord % universe) + if (p % coord(i) % universe /= NONE) then + u => universes(p % coord(i) % universe) write(ou,*) ' Universe = ' // trim(to_str(u % id)) end if ! Print information on lattice - if (coord % lattice /= NONE) then - l => lattices(coord % lattice) + if (p % coord(i) % lattice /= NONE) then + l => lattices(p % coord(i) % lattice) % obj write(ou,*) ' Lattice = ' // trim(to_str(l % id)) write(ou,*) ' Lattice position = (' // trim(to_str(& - p % coord % lattice_x)) // ',' // trim(to_str(& - p % coord % lattice_y)) // ')' + p % coord(i) % lattice_x)) // ',' // trim(to_str(& + p % coord(i) % lattice_y)) // ')' end if ! Print local coordinates - write(ou,'(1X,A,3ES12.4)') ' xyz = ', coord % xyz - write(ou,'(1X,A,3ES12.4)') ' uvw = ', coord % uvw - - coord => coord % next - i = i + 1 + write(ou,'(1X,A,3ES12.4)') ' xyz = ', p % coord(i) % xyz + write(ou,'(1X,A,3ES12.4)') ' uvw = ', p % coord(i) % uvw end do ! Print surface @@ -355,7 +350,7 @@ contains integer :: unit_ ! unit to write to character(MAX_LINE_LEN) :: string type(Universe), pointer :: u => null() - type(Lattice), pointer :: l => null() + class(Lattice), pointer :: l => null() type(Material), pointer :: m => null() ! Set unit to stdout if not already set @@ -368,6 +363,9 @@ contains ! Write user-specified id for cell write(unit_,*) 'Cell ' // to_str(c % id) + ! Write user-specified name for cell + write(unit_,*) ' Name = ' // c % name + ! Find index in cells array and write index_cell = cell_dict % get_key(c % id) write(unit_,*) ' Array Index = ' // to_str(index_cell) @@ -384,7 +382,7 @@ contains u => universes(c % fill) write(unit_,*) ' Fill = Universe ' // to_str(u % id) case (CELL_LATTICE) - l => lattices(c % fill) + l => lattices(c % fill) % obj write(unit_,*) ' Fill = Lattice ' // to_str(l % id) end select @@ -471,13 +469,10 @@ contains subroutine print_lattice(lat, unit) - type(Lattice), pointer :: lat - integer, optional :: unit + class(Lattice), pointer :: lat + integer, optional :: unit - integer :: i ! loop index integer :: unit_ ! unit to write to - character(MAX_LINE_LEN) :: string - ! set default unit if not specified if (present(unit)) then @@ -489,27 +484,67 @@ contains ! Write information about lattice write(unit_,*) 'Lattice ' // to_str(lat % id) - ! Write dimension of lattice - string = "" - do i = 1, lat % n_dimension - string = trim(string) // ' ' // to_str(lat % dimension(i)) - end do - write(unit_,*) ' Dimension =' // string + ! Write user-specified name for lattice + write(unit_,*) ' Name = ' // lat % name - ! Write lower-left coordinates of lattice - string = "" - do i = 1, lat % n_dimension - string = trim(string) // ' ' // to_str(lat % lower_left(i)) - end do - write(unit_,*) ' Lower-left =' // string + select type(lat) + type is (RectLattice) + ! Write dimension of lattice. + if (lat % is_3d) then + write(unit_, *) ' Dimension = ' // to_str(lat % n_cells(1)) & + &// ' ' // to_str(lat % n_cells(2)) // ' ' & + &// to_str(lat % n_cells(3)) + else + write(unit_, *) ' Dimension = ' // to_str(lat % n_cells(1)) & + &// ' ' // to_str(lat % n_cells(2)) + end if + + ! Write lower-left coordinates of lattice. + if (lat % is_3d) then + write(unit_, *) ' Lower-left = ' // to_str(lat % lower_left(1)) & + &// ' ' // to_str(lat % lower_left(2)) // ' ' & + &// to_str(lat % lower_left(3)) + else + write(unit_, *) ' Lower-left = ' // to_str(lat % lower_left(1)) & + &// ' ' // to_str(lat % lower_left(2)) + end if + + ! Write lattice pitch along each axis. + if (lat % is_3d) then + write(unit_, *) ' Pitch = ' // to_str(lat % pitch(1)) & + &// ' ' // to_str(lat % pitch(2)) // ' ' & + &// to_str(lat % pitch(3)) + else + write(unit_, *) ' Pitch = ' // to_str(lat % pitch(1)) & + &// ' ' // to_str(lat % pitch(2)) + end if + write(unit_,*) + + type is (HexLattice) + ! Write dimension of lattice. + write(unit_,*) ' N-rings = ' // to_str(lat % n_rings) + if (lat % is_3d) write(unit_,*) ' N-axial = ' // to_str(lat % n_axial) + + ! Write center coordinates of lattice. + if (lat % is_3d) then + write(unit_, *) ' Center = ' // to_str(lat % center(1)) & + &// ' ' // to_str(lat % center(2)) // ' ' & + &// to_str(lat % center(3)) + else + write(unit_, *) ' Center = ' // to_str(lat % center(1)) & + &// ' ' // to_str(lat % center(2)) + end if + + ! Write lattice pitch along each axis. + if (lat % is_3d) then + write(unit_, *) ' Pitch = ' // to_str(lat % pitch(1)) & + &// ' ' // to_str(lat % pitch(2)) + else + write(unit_, *) ' Pitch = ' // to_str(lat % pitch(1)) + end if + write(unit_,*) + end select - ! Write width of each lattice cell - string = "" - do i = 1, lat % n_dimension - string = trim(string) // ' ' // to_str(lat % width(i)) - end do - write(unit_,*) ' Width =' // string - write(unit_,*) end subroutine print_lattice @@ -537,6 +572,9 @@ contains ! Write user-specified id of surface write(unit_,*) 'Surface ' // to_str(surf % id) + ! Write user-specified name for surface + write(unit_,*) ' Name = ' // surf % name + ! Write type of surface select case (surf % type) case (SURF_PX) @@ -633,6 +671,9 @@ contains ! Write identifier for material write(unit_,*) 'Material ' // to_str(mat % id) + ! Write user-specified name for material + write(unit_,*) ' Name = ' // mat % name + ! Write total atom density in atom/b-cm write(unit_,*) ' Atom Density = ' // trim(to_str(mat % density)) & // ' atom/b-cm' @@ -707,6 +748,16 @@ contains write(unit_,*) ' Estimator: Track-length' end select + ! Write any cells bins if present + j = t % find_filter(FILTER_DISTRIBCELL) + if (j > 0) then + string = "" + id = t % filters(j) % int_bins(1) + c => cells(id) + string = trim(string) // ' ' // trim(to_str(c % id)) + write(unit_, *) ' Distribcell Bins:' // trim(string) + end if + ! Write any cells bins if present j = t % find_filter(FILTER_CELL) if (j > 0) then @@ -816,7 +867,6 @@ contains end do write(unit_,*) - ! Write score bins string = "" j = 0 @@ -919,7 +969,7 @@ contains type(Surface), pointer :: s => null() type(Cell), pointer :: c => null() type(Universe), pointer :: u => null() - type(Lattice), pointer :: l => null() + class(Lattice), pointer :: l => null() ! print summary of surfaces call header("SURFACE SUMMARY", unit=UNIT_SUMMARY) @@ -946,7 +996,7 @@ contains if (n_lattices > 0) then call header("LATTICE SUMMARY", unit=UNIT_SUMMARY) do i = 1, n_lattices - l => lattices(i) + l => lattices(i) % obj call print_lattice(l, unit=UNIT_SUMMARY) end do end if @@ -1322,7 +1372,7 @@ contains if (cmfd_run) then write(UNIT=ou, FMT='(A8,3X)', ADVANCE='NO') "========" if (cmfd_display /= '') & - write(UNIT=ou, FMT='(A8,3X)', ADVANCE='NO') "========" + write(UNIT=ou, FMT='(A8,3X)', ADVANCE='NO') "========" end if write(UNIT=ou, FMT=*) @@ -1382,20 +1432,20 @@ contains ! write out cmfd keff if it is active and other display info if (cmfd_on) then write(UNIT=OUTPUT_UNIT, FMT='(3X, F8.5)', ADVANCE='NO') & - cmfd % k_cmfd(current_batch) + cmfd % k_cmfd(current_batch) select case(trim(cmfd_display)) case('entropy') write(UNIT=OUTPUT_UNIT, FMT='(3X, F8.5)', ADVANCE='NO') & - cmfd % entropy(current_batch) + cmfd % entropy(current_batch) case('balance') write(UNIT=OUTPUT_UNIT, FMT='(3X, F8.5)', ADVANCE='NO') & - cmfd % balance(current_batch) + cmfd % balance(current_batch) case('source') write(UNIT=OUTPUT_UNIT, FMT='(3X, F8.5)', ADVANCE='NO') & - cmfd % src_cmp(current_batch) + cmfd % src_cmp(current_batch) case('dominance') write(UNIT=OUTPUT_UNIT, FMT='(3X, F8.5)', ADVANCE='NO') & - cmfd % dom(current_batch) + cmfd % dom(current_batch) end select end if @@ -1517,7 +1567,7 @@ contains speed_inactive = real(n_particles * (n_inactive - restart_batch) * & gen_per_batch) / time_inactive % elapsed speed_active = real(n_particles * n_active * gen_per_batch) / & - time_active % elapsed + time_active % elapsed else speed_inactive = ZERO speed_active = real(n_particles * (n_batches - restart_batch) * & @@ -1577,22 +1627,26 @@ contains ! write global tallies if (n_realizations > 1) then - write(ou,102) "k-effective (Collision)", global_tallies(K_COLLISION) & - % sum, global_tallies(K_COLLISION) % sum_sq - write(ou,102) "k-effective (Track-length)", global_tallies(K_TRACKLENGTH) & - % sum, global_tallies(K_TRACKLENGTH) % sum_sq - write(ou,102) "k-effective (Absorption)", global_tallies(K_ABSORPTION) & - % sum, global_tallies(K_ABSORPTION) % sum_sq - if (n_realizations > 3) write(ou,102) "Combined k-effective", k_combined + if (run_mode == MODE_EIGENVALUE) then + write(ou,102) "k-effective (Collision)", global_tallies(K_COLLISION) & + % sum, global_tallies(K_COLLISION) % sum_sq + write(ou,102) "k-effective (Track-length)", global_tallies(K_TRACKLENGTH) & + % sum, global_tallies(K_TRACKLENGTH) % sum_sq + write(ou,102) "k-effective (Absorption)", global_tallies(K_ABSORPTION) & + % sum, global_tallies(K_ABSORPTION) % sum_sq + if (n_realizations > 3) write(ou,102) "Combined k-effective", k_combined + end if write(ou,102) "Leakage Fraction", global_tallies(LEAKAGE) % sum, & global_tallies(LEAKAGE) % sum_sq else if (master) call warning("Could not compute uncertainties -- only one & &active batch simulated!") - write(ou,103) "k-effective (Collision)", global_tallies(K_COLLISION) % sum - write(ou,103) "k-effective (Track-length)", global_tallies(K_TRACKLENGTH) % sum - write(ou,103) "k-effective (Absorption)", global_tallies(K_ABSORPTION) % sum + if (run_mode == MODE_EIGENVALUE) then + write(ou,103) "k-effective (Collision)", global_tallies(K_COLLISION) % sum + write(ou,103) "k-effective (Track-length)", global_tallies(K_TRACKLENGTH) % sum + write(ou,103) "k-effective (Absorption)", global_tallies(K_ABSORPTION) % sum + end if write(ou,103) "Leakage Fraction", global_tallies(LEAKAGE) % sum end if write(ou,*) @@ -1661,7 +1715,7 @@ contains real(8) :: t_value ! t-values for confidence intervals real(8) :: alpha ! significance level for CI character(MAX_FILE_LEN) :: filename ! name of output file - character(15) :: filter_name(N_FILTER_TYPES) ! names of tally filters + character(16) :: filter_name(N_FILTER_TYPES) ! names of tally filters character(36) :: score_names(N_SCORE_TYPES) ! names of scoring function character(36) :: score_name ! names of scoring function ! to be applied at write-time @@ -1671,14 +1725,15 @@ contains if (n_tallies == 0) return ! Initialize names for tally filter types - filter_name(FILTER_UNIVERSE) = "Universe" - filter_name(FILTER_MATERIAL) = "Material" - filter_name(FILTER_CELL) = "Cell" - filter_name(FILTER_CELLBORN) = "Birth Cell" - filter_name(FILTER_SURFACE) = "Surface" - filter_name(FILTER_MESH) = "Mesh" - filter_name(FILTER_ENERGYIN) = "Incoming Energy" - filter_name(FILTER_ENERGYOUT) = "Outgoing Energy" + filter_name(FILTER_UNIVERSE) = "Universe" + filter_name(FILTER_MATERIAL) = "Material" + filter_name(FILTER_DISTRIBCELL) = "Distributed Cell" + filter_name(FILTER_CELL) = "Cell" + filter_name(FILTER_CELLBORN) = "Birth Cell" + filter_name(FILTER_SURFACE) = "Surface" + filter_name(FILTER_MESH) = "Mesh" + filter_name(FILTER_ENERGYIN) = "Incoming Energy" + filter_name(FILTER_ENERGYOUT) = "Outgoing Energy" ! Initialize names for scores score_names(abs(SCORE_FLUX)) = "Flux" @@ -1728,12 +1783,12 @@ contains end if ! Write header block - if (t % label == "") then + if (t % name == "") then call header("TALLY " // trim(to_str(t % id)), unit=UNIT_TALLY, & level=3) else call header("TALLY " // trim(to_str(t % id)) // ": " & - // trim(t % label), unit=UNIT_TALLY, level=3) + // trim(t % name), unit=UNIT_TALLY, level=3) endif ! Handle surface current tallies separately @@ -1829,21 +1884,22 @@ contains select case(t % score_bins(k)) case (SCORE_SCATTER_N, SCORE_NU_SCATTER_N) score_name = 'P' // trim(to_str(t % moment_order(k))) // " " // & - score_names(abs(t % score_bins(k))) + score_names(abs(t % score_bins(k))) write(UNIT=UNIT_TALLY, FMT='(1X,2A,1X,A,"+/- ",A)') & - repeat(" ", indent), score_name, & - to_str(t % results(score_index,filter_index) % sum), & - trim(to_str(t % results(score_index,filter_index) % sum_sq)) + repeat(" ", indent), score_name, & + to_str(t % results(score_index,filter_index) % sum), & + trim(to_str(t % results(score_index,filter_index) % sum_sq)) case (SCORE_SCATTER_PN, SCORE_NU_SCATTER_PN) score_index = score_index - 1 do n_order = 0, t % moment_order(k) score_index = score_index + 1 score_name = 'P' // trim(to_str(n_order)) // " " //& - score_names(abs(t % score_bins(k))) + score_names(abs(t % score_bins(k))) write(UNIT=UNIT_TALLY, FMT='(1X,2A,1X,A,"+/- ",A)') & - repeat(" ", indent), score_name, & - to_str(t % results(score_index,filter_index) % sum), & - trim(to_str(t % results(score_index,filter_index) % sum_sq)) + repeat(" ", indent), score_name, & + to_str(t % results(score_index,filter_index) % sum), & + trim(to_str(t % results(score_index,filter_index) & + % sum_sq)) end do k = k + t % moment_order(k) case (SCORE_SCATTER_YN, SCORE_NU_SCATTER_YN, SCORE_FLUX_YN, & @@ -1853,11 +1909,13 @@ contains do nm_order = -n_order, n_order score_index = score_index + 1 score_name = 'Y' // trim(to_str(n_order)) // ',' // & - trim(to_str(nm_order)) // " " // score_names(abs(t % score_bins(k))) + trim(to_str(nm_order)) // " " & + // score_names(abs(t % score_bins(k))) write(UNIT=UNIT_TALLY, FMT='(1X,2A,1X,A,"+/- ",A)') & - repeat(" ", indent), score_name, & - to_str(t % results(score_index,filter_index) % sum), & - trim(to_str(t % results(score_index,filter_index) % sum_sq)) + repeat(" ", indent), score_name, & + to_str(t % results(score_index,filter_index) % sum), & + trim(to_str(t % results(score_index,filter_index)& + % sum_sq)) end do end do k = k + (t % moment_order(k) + 1)**2 - 1 @@ -1868,9 +1926,9 @@ contains score_name = score_names(abs(t % score_bins(k))) end if write(UNIT=UNIT_TALLY, FMT='(1X,2A,1X,A,"+/- ",A)') & - repeat(" ", indent), score_name, & - to_str(t % results(score_index,filter_index) % sum), & - trim(to_str(t % results(score_index,filter_index) % sum_sq)) + repeat(" ", indent), score_name, & + to_str(t % results(score_index,filter_index) % sum), & + trim(to_str(t % results(score_index,filter_index) % sum_sq)) end select end do indent = indent - 2 @@ -2069,14 +2127,16 @@ contains type(TallyObject), pointer :: t ! tally object integer, intent(in) :: i_filter ! index in filters array - character(30) :: label ! user-specified identifier + character(100) :: label ! user-specified identifier integer :: i ! index in cells/surfaces/etc array integer :: bin + integer :: offset integer, allocatable :: ijk(:) ! indices in mesh real(8) :: E0 ! lower bound for energy bin real(8) :: E1 ! upper bound for energy bin type(StructuredMesh), pointer :: m => null() + type(Universe), pointer :: univ => null() bin = matching_bins(i_filter) @@ -2090,6 +2150,13 @@ contains case (FILTER_CELL, FILTER_CELLBORN) i = t % filters(i_filter) % int_bins(bin) label = to_str(cells(i) % id) + case (FILTER_DISTRIBCELL) + label = '' + univ => universes(BASE_UNIVERSE) + offset = 0 + call find_offset(t % filters(i_filter) % offset, & + t % filters(i_filter) % int_bins(1), & + univ, bin-1, offset, label) case (FILTER_SURFACE) i = t % filters(i_filter) % int_bins(bin) label = to_str(surfaces(i) % id) @@ -2112,4 +2179,268 @@ contains end function get_label +!=============================================================================== +! FIND_OFFSET uses a given map number, a target cell ID, and a target offset +! to build a string which is the path from the base universe to the target cell +! with the given offset +!=============================================================================== + + recursive subroutine find_offset(map, goal, univ, final, offset, path) + + integer, intent(in) :: map ! Index in maps vector + integer, intent(in) :: goal ! The target cell ID + type(Universe), pointer, intent(in) :: univ ! Universe to begin search + integer, intent(in) :: final ! Target offset + integer, intent(inout) :: offset ! Current offset + character(100) :: path ! Path to offset + + integer :: i, j ! Index over cells + integer :: k, l, m ! Indices in lattice + integer :: old_k, old_l, old_m ! Previous indices in lattice + integer :: n_x, n_y, n_z ! Lattice cell array dimensions + integer :: n ! Number of cells to search + integer :: cell_index ! Index in cells array + integer :: lat_offset ! Offset from lattice + integer :: temp_offset ! Looped sum of offsets + logical :: this_cell = .false. ! Advance in this cell? + logical :: later_cell = .false. ! Fill cells after this one? + type(Cell), pointer:: c ! Pointer to current cell + type(Universe), pointer :: next_univ ! Next universe to loop through + class(Lattice), pointer :: lat ! Pointer to current lattice + + n = univ % n_cells + + ! Write to the geometry stack + if (univ%id == 0) then + path = trim(path) // to_str(univ%id) + else + path = trim(path) // "->" // to_str(univ%id) + end if + + ! Look through all cells in this universe + do i = 1, n + + cell_index = univ % cells(i) + c => cells(cell_index) + + ! If the cell ID matches the goal and the offset matches final, + ! write to the geometry stack + if (cell_dict % get_key(c % id) == goal .AND. offset == final) then + path = trim(path) // "->" // to_str(c%id) + return + end if + + end do + + ! Find the fill cell or lattice cell that we need to enter + do i = 1, n + + later_cell = .false. + + cell_index = univ % cells(i) + c => cells(cell_index) + + this_cell = .false. + + ! If we got here, we still think the target is in this universe + ! or further down, but it's not this exact cell. + ! Compare offset to next cell to see if we should enter this cell + if (i /= n) then + + do j = i+1, n + + cell_index = univ % cells(j) + c => cells(cell_index) + + ! Skip normal cells which do not have offsets + if (c % type == CELL_NORMAL) then + cycle + end if + + ! Break loop once we've found the next cell with an offset + exit + end do + + ! Ensure we didn't just end the loop by iteration + if (c % type /= CELL_NORMAL) then + + ! There are more cells in this universe that it could be in + later_cell = .true. + + ! Two cases, lattice or fill cell + if (c % type == CELL_FILL) then + temp_offset = c % offset(map) + + ! Get the offset of the first lattice location + else + lat => lattices(c % fill) % obj + temp_offset = lat % offset(map, 1, 1, 1) + end if + + ! If the final offset is in the range of offset - temp_offset+offset + ! then the goal is in this cell + if (final < temp_offset + offset) then + this_cell = .true. + end if + end if + end if + + if (n == 1 .and. c % type /= CELL_NORMAL) then + this_cell = .true. + end if + + if (.not. later_cell) then + this_cell = .true. + end if + + ! Get pointer to THIS cell because target must be in this cell + if (this_cell) then + + cell_index = univ % cells(i) + c => cells(cell_index) + + path = trim(path) // "->" // to_str(c%id) + + ! ==================================================================== + ! CELL CONTAINS LOWER UNIVERSE, RECURSIVELY FIND CELL + if (c % type == CELL_FILL) then + + ! Enter this cell to update the current offset + offset = c % offset(map) + offset + + next_univ => universes(c % fill) + call find_offset(map, goal, next_univ, final, offset, path) + return + + ! ==================================================================== + ! CELL CONTAINS LATTICE, RECURSIVELY FIND CELL + elseif (c % type == CELL_LATTICE) then + + ! Set current lattice + lat => lattices(c % fill) % obj + + select type (lat) + + ! ================================================================== + ! RECTANGULAR LATTICES + type is (RectLattice) + + ! Write to the geometry stack + path = trim(path) // "->" // to_str(lat%id) + + n_x = lat % n_cells(1) + n_y = lat % n_cells(2) + n_z = lat % n_cells(3) + old_m = 1 + old_l = 1 + old_k = 1 + + ! Loop over lattice coordinates + do k = 1, n_x + do l = 1, n_y + do m = 1, n_z + + if (final >= lat % offset(map, k, l, m) + offset) then + if (k == n_x .and. l == n_y .and. m == n_z) then + ! This is last lattice cell, so target must be here + lat_offset = lat % offset(map, k, l, m) + offset = offset + lat_offset + next_univ => universes(lat % universes(k, l, m)) + path = trim(path) // "(" // trim(to_str(k)) // & + "," // trim(to_str(l)) // "," // & + trim(to_str(m)) // ")" + call find_offset(map, goal, next_univ, final, offset, path) + return + else + old_m = m + old_l = l + old_k = k + cycle + end if + else + ! Target is at this lattice position + lat_offset = lat % offset(map, old_k, old_l, old_m) + offset = offset + lat_offset + next_univ => universes(lat % universes(old_k, old_l, old_m)) + path = trim(path) // "(" // trim(to_str(old_k)) // & + "," // trim(to_str(old_l)) // "," // & + trim(to_str(old_m)) // ")" + call find_offset(map, goal, next_univ, final, offset, path) + return + end if + + end do + end do + end do + + ! ================================================================== + ! HEXAGONAL LATTICES + type is (HexLattice) + + ! Write to the geometry stack + path = trim(path) // "->" // to_str(lat%id) + + n_z = lat % n_axial + n_y = 2 * lat % n_rings - 1 + n_x = 2 * lat % n_rings - 1 + old_m = 1 + old_l = 1 + old_k = 1 + + ! Loop over lattice coordinates + do m = 1, n_z + do l = 1, n_y + do k = 1, n_x + + ! This array position is never used + if (k + l < lat % n_rings + 1) then + cycle + ! This array position is never used + else if (k + l > 3*lat % n_rings - 1) then + cycle + end if + + if (final >= lat % offset(map, k, l, m) + offset) then + if (k == lat % n_rings .and. l == n_y .and. m == n_z) then + ! This is last lattice cell, so target must be here + lat_offset = lat % offset(map, k, l, m) + offset = offset + lat_offset + next_univ => universes(lat % universes(k, l, m)) + path = trim(path) // "(" // & + trim(to_str(k - lat % n_rings)) // "," // & + trim(to_str(l - lat % n_rings)) // "," // & + trim(to_str(m)) // ")" + call find_offset(map, goal, next_univ, final, offset, & + path) + return + else + old_m = m + old_l = l + old_k = k + cycle + end if + else + ! Target is at this lattice position + lat_offset = lat % offset(map, old_k, old_l, old_m) + offset = offset + lat_offset + next_univ => universes(lat % universes(old_k, old_l, old_m)) + path = trim(path) // "(" // & + trim(to_str(old_k - lat % n_rings)) // "," // & + trim(to_str(old_l - lat % n_rings)) // "," // & + trim(to_str(old_m)) // ")" + call find_offset(map, goal, next_univ, final, offset, path) + return + end if + + end do + end do + end do + + end select + + end if + end if + end do + end subroutine find_offset + end module output diff --git a/src/output_interface.F90 b/src/output_interface.F90 index d8134aa583..05fcd0010b 100644 --- a/src/output_interface.F90 +++ b/src/output_interface.F90 @@ -7,9 +7,10 @@ module output_interface #ifdef HDF5 use hdf5_interface -#endif +#else #ifdef MPI use mpiio_interface +#endif #endif implicit none @@ -22,10 +23,15 @@ module output_interface integer(HID_T) :: hdf5_fh integer(HID_T) :: hdf5_grp #else - integer :: unit_fh -# endif + integer :: unit_fh +#ifdef MPIF08 + type(MPI_File) :: mpi_fh +#else + integer :: mpi_fh +#endif +#endif logical :: serial ! Serial I/O when using MPI/PHDF5 - contains + contains generic, public :: write_data => write_double, & write_double_1Darray, & write_double_2Darray, & @@ -105,7 +111,7 @@ contains self % serial = serial else self % serial = .true. - end if + end if #ifdef HDF5 # ifdef MPI @@ -122,7 +128,7 @@ contains open(NEWUNIT=self % unit_fh, FILE=filename, ACTION="write", & STATUS='replace', ACCESS='stream') else - call mpi_create_file(filename, self % unit_fh) + call mpi_create_file(filename, self % mpi_fh) end if #else open(NEWUNIT=self % unit_fh, FILE=filename, ACTION="write", & @@ -147,7 +153,7 @@ contains self % serial = serial else self % serial = .true. - end if + end if #ifdef HDF5 # ifdef MPI @@ -170,7 +176,7 @@ contains STATUS='old', ACCESS='stream') end if else - call mpi_open_file(filename, self % unit_fh, mode) + call mpi_open_file(filename, self % mpi_fh, mode) end if #else ! Check for read/write mode to open, default is read only @@ -195,18 +201,18 @@ contains #ifdef HDF5 # ifdef MPI - call hdf5_file_close(self % hdf5_fh) + call hdf5_file_close(self % hdf5_fh) # else - call hdf5_file_close(self % hdf5_fh) + call hdf5_file_close(self % hdf5_fh) # endif #elif MPI - if (self % serial) then - close(UNIT=self % unit_fh) - else - call mpi_close_file(self % unit_fh) - end if + if (self % serial) then + close(UNIT=self % unit_fh) + else + call mpi_close_file(self % mpi_fh) + end if #else - close(UNIT=self % unit_fh) + close(UNIT=self % unit_fh) #endif end subroutine file_close @@ -293,7 +299,7 @@ contains if (self % serial) then write(self % unit_fh) buffer else - call mpi_write_double(self % unit_fh, buffer, collect_) + call mpi_write_double(self % mpi_fh, buffer, collect_) end if #else write(self % unit_fh) buffer @@ -354,7 +360,7 @@ contains if (self % serial) then read(self % unit_fh) buffer else - call mpi_read_double(self % unit_fh, buffer, collect_) + call mpi_read_double(self % mpi_fh, buffer, collect_) end if #else read(self % unit_fh) buffer @@ -417,7 +423,7 @@ contains if (self % serial) then write(self % unit_fh) buffer(1:length) else - call mpi_write_double_1Darray(self % unit_fh, buffer, length, collect_) + call mpi_write_double_1Darray(self % mpi_fh, buffer, length, collect_) end if #else write(self % unit_fh) buffer(1:length) @@ -469,7 +475,7 @@ contains call hdf5_read_double_1Darray(self % hdf5_grp, name_, buffer, length) else call hdf5_read_double_1Darray_parallel(self % hdf5_grp, name_, buffer, & - length, collect_) + length, collect_) end if # else call hdf5_read_double_1Darray(self % hdf5_grp, name_, buffer, length) @@ -480,7 +486,7 @@ contains if (self % serial) then read(self % unit_fh) buffer(1:length) else - call mpi_read_double_1Darray(self % unit_fh, buffer, length, collect_) + call mpi_read_double_1Darray(self % mpi_fh, buffer, length, collect_) end if #else read(self % unit_fh) buffer(1:length) @@ -543,7 +549,7 @@ contains if (self % serial) then write(self % unit_fh) buffer(1:length(1),1:length(2)) else - call mpi_write_double_2Darray(self % unit_fh, buffer, length, collect_) + call mpi_write_double_2Darray(self % mpi_fh, buffer, length, collect_) end if #else write(self % unit_fh) buffer(1:length(1),1:length(2)) @@ -606,7 +612,7 @@ contains if (self % serial) then read(self % unit_fh) buffer(1:length(1),1:length(2)) else - call mpi_read_double_2Darray(self % unit_fh, buffer, length, collect_) + call mpi_read_double_2Darray(self % mpi_fh, buffer, length, collect_) end if #else read(self % unit_fh) buffer(1:length(1),1:length(2)) @@ -657,8 +663,8 @@ contains if (self % serial) then call hdf5_write_double_3Darray(self % hdf5_grp, name_, buffer, length) else - call hdf5_write_double_3Darray_parallel(self % hdf5_grp, name_, buffer, length, & - collect_) + call hdf5_write_double_3Darray_parallel(self % hdf5_grp, name_, buffer, & + length, collect_) end if # else call hdf5_write_double_3Darray(self % hdf5_grp, name_, buffer, length) @@ -669,7 +675,7 @@ contains if (self % serial) then write(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3)) else - call mpi_write_double_3Darray(self % unit_fh, buffer, length, collect_) + call mpi_write_double_3Darray(self % mpi_fh, buffer, length, collect_) end if #else write(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3)) @@ -732,7 +738,7 @@ contains if (self % serial) then read(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3)) else - call mpi_read_double_3Darray(self % unit_fh, buffer, length, collect_) + call mpi_read_double_3Darray(self % mpi_fh, buffer, length, collect_) end if #else read(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3)) @@ -798,7 +804,7 @@ contains write(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3), & 1:length(4)) else - call mpi_write_double_4Darray(self % unit_fh, buffer, length, collect_) + call mpi_write_double_4Darray(self % mpi_fh, buffer, length, collect_) end if #else write(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3), & @@ -864,7 +870,7 @@ contains read(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3), & 1:length(4)) else - call mpi_read_double_4Darray(self % unit_fh, buffer, length, collect_) + call mpi_read_double_4Darray(self % mpi_fh, buffer, length, collect_) end if #else read(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3), & @@ -926,7 +932,7 @@ contains if (self % serial) then write(self % unit_fh) buffer else - call mpi_write_integer(self % unit_fh, buffer, collect_) + call mpi_write_integer(self % mpi_fh, buffer, collect_) end if #else write(self % unit_fh) buffer @@ -987,7 +993,7 @@ contains if (self % serial) then read(self % unit_fh) buffer else - call mpi_read_integer(self % unit_fh, buffer, collect_) + call mpi_read_integer(self % mpi_fh, buffer, collect_) end if #else read(self % unit_fh) buffer @@ -1050,7 +1056,7 @@ contains if (self % serial) then write(self % unit_fh) buffer(1:length) else - call mpi_write_integer_1Darray(self % unit_fh, buffer, length, collect_) + call mpi_write_integer_1Darray(self % mpi_fh, buffer, length, collect_) end if #else write(self % unit_fh) buffer(1:length) @@ -1114,7 +1120,7 @@ contains if (self % serial) then read(self % unit_fh) buffer(1:length) else - call mpi_read_integer_1Darray(self % unit_fh, buffer, length, collect_) + call mpi_read_integer_1Darray(self % mpi_fh, buffer, length, collect_) end if #else read(self % unit_fh) buffer(1:length) @@ -1177,7 +1183,7 @@ contains if (self % serial) then write(self % unit_fh) buffer(1:length(1),1:length(2)) else - call mpi_write_integer_2Darray(self % unit_fh, buffer, length, collect_) + call mpi_write_integer_2Darray(self % mpi_fh, buffer, length, collect_) end if #else write(self % unit_fh) buffer(1:length(1),1:length(2)) @@ -1240,7 +1246,7 @@ contains if (self % serial) then read(self % unit_fh) buffer(1:length(1),1:length(2)) else - call mpi_read_integer_2Darray(self % unit_fh, buffer, length, collect_) + call mpi_read_integer_2Darray(self % mpi_fh, buffer, length, collect_) end if #else read(self % unit_fh) buffer(1:length(1),1:length(2)) @@ -1303,7 +1309,7 @@ contains if (self % serial) then write(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3)) else - call mpi_write_integer_3Darray(self % unit_fh, buffer, length, collect_) + call mpi_write_integer_3Darray(self % mpi_fh, buffer, length, collect_) end if #else write(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3)) @@ -1366,7 +1372,7 @@ contains if (self % serial) then read(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3)) else - call mpi_read_integer_3Darray(self % unit_fh, buffer, length, collect_) + call mpi_read_integer_3Darray(self % mpi_fh, buffer, length, collect_) end if #else read(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3)) @@ -1431,7 +1437,7 @@ contains write(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3), & 1:length(4)) else - call mpi_write_integer_4Darray(self % unit_fh, buffer, length, collect_) + call mpi_write_integer_4Darray(self % mpi_fh, buffer, length, collect_) end if #else write(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3), & @@ -1497,7 +1503,7 @@ contains read(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3), & 1:length(4)) else - call mpi_read_integer_4Darray(self % unit_fh, buffer, length, collect_) + call mpi_read_integer_4Darray(self % mpi_fh, buffer, length, collect_) end if #else read(self % unit_fh) buffer(1:length(1),1:length(2),1:length(3), & @@ -1560,7 +1566,7 @@ contains if (self % serial) then write(self % unit_fh) buffer else - call mpi_write_long(self % unit_fh, buffer, collect_) + call mpi_write_long(self % mpi_fh, buffer, collect_) end if #else write(self % unit_fh) buffer @@ -1622,7 +1628,7 @@ contains if (self % serial) then read(self % unit_fh) buffer else - call mpi_read_long(self % unit_fh, buffer, collect_) + call mpi_read_long(self % mpi_fh, buffer, collect_) end if #else read(self % unit_fh) buffer @@ -1688,7 +1694,7 @@ contains if (self % serial) then write(self % unit_fh) buffer else - call mpi_write_string(self % unit_fh, buffer, n, collect_) + call mpi_write_string(self % mpi_fh, buffer, n, collect_) end if #else write(self % unit_fh) buffer @@ -1754,7 +1760,7 @@ contains if (self % serial) then read(self % unit_fh) buffer else - call mpi_read_string(self % unit_fh, buffer, n, collect_) + call mpi_read_string(self % mpi_fh, buffer, n, collect_) end if #else read(self % unit_fh) buffer @@ -1914,7 +1920,7 @@ contains # elif MPI ! Write out tally buffer - call MPI_FILE_READ(self % unit_fh, buffer, n1*n2, MPI_TALLYRESULT, & + call MPI_FILE_READ(self % mpi_fh, buffer, n1*n2, MPI_TALLYRESULT, & MPI_STATUS_IGNORE, mpiio_err) #else @@ -1943,7 +1949,11 @@ contains # ifndef HDF5 integer(MPI_OFFSET_KIND) :: offset ! offset of data integer :: size_bank ! size of bank to write +#ifdef MPIF08 + type(MPI_Datatype) :: datatype +#else integer :: datatype +#endif # endif # ifdef HDF5 integer(8) :: offset(1) ! source data offset @@ -1951,7 +1961,7 @@ contains #endif #ifdef HDF5 -# ifdef MPI +#ifdef MPI ! Set size of total dataspace for all procs and rank dims1(1) = n_particles @@ -2023,7 +2033,7 @@ contains #elif MPI ! Get current offset for master - if (master) call MPI_FILE_GET_POSITION(self % unit_fh, offset, mpiio_err) + if (master) call MPI_FILE_GET_POSITION(self % mpi_fh, offset, mpiio_err) ! Determine offset on master process and broadcast to all processors call MPI_TYPE_MATCH_SIZE(MPI_TYPECLASS_INTEGER, MPI_OFFSET_KIND, & @@ -2035,7 +2045,7 @@ contains offset = offset + size_bank*work_index(rank) ! Write all source sites - call MPI_FILE_WRITE_AT(self % unit_fh, offset, source_bank(1), int(work), & + call MPI_FILE_WRITE_AT(self % mpi_fh, offset, source_bank(1), int(work), & MPI_BANK, MPI_STATUS_IGNORE, mpiio_err) #else @@ -2124,11 +2134,11 @@ contains ! Go to the end of the file to set file pointer offset = 0 - call MPI_FILE_SEEK(self % unit_fh, offset, MPI_SEEK_END, & + call MPI_FILE_SEEK(self % mpi_fh, offset, MPI_SEEK_END, & mpiio_err) ! Get current offset (will be at EOF) - call MPI_FILE_GET_POSITION(self % unit_fh, offset, mpiio_err) + call MPI_FILE_GET_POSITION(self % mpi_fh, offset, mpiio_err) ! Get the size of the source bank on all procs call MPI_TYPE_SIZE(MPI_BANK, size_bank, mpi_err) @@ -2140,7 +2150,7 @@ contains offset = offset + size_bank*work_index(rank) ! Write all source sites - call MPI_FILE_READ_AT(self % unit_fh, offset, source_bank(1), int(work), & + call MPI_FILE_READ_AT(self % mpi_fh, offset, source_bank(1), int(work), & MPI_BANK, MPI_STATUS_IGNORE, mpiio_err) #else diff --git a/src/particle_header.F90 b/src/particle_header.F90 index 3e9dca7d56..7c2586c3e2 100644 --- a/src/particle_header.F90 +++ b/src/particle_header.F90 @@ -26,9 +26,8 @@ module particle_header ! Is this level rotated? logical :: rotated = .false. - - ! Pointer to next (more local) set of coordinates - type(LocalCoord), pointer :: next => null() + contains + procedure :: reset => reset_coord end type LocalCoord !=============================================================================== @@ -42,8 +41,8 @@ module particle_header integer :: type ! Particle type (n, p, e, etc) ! Particle coordinates - type(LocalCoord), pointer :: coord0 => null() ! coordinates on universe 0 - type(LocalCoord), pointer :: coord => null() ! coordinates on lowest universe + integer :: n_coord ! number of current coordinates + type(LocalCoord) :: coord(MAX_COORD) ! coordinates for all levels ! Other physical data real(8) :: wgt ! particle weight @@ -87,26 +86,6 @@ module particle_header contains -!=============================================================================== -! DEALLOCATE_COORD removes all levels of coordinates below a given level. This -! is used in distance_to_boundary when the particle moves from a lower universe -! to a higher universe since the data for the lower one is not needed anymore. -!=============================================================================== - - recursive subroutine deallocate_coord(coord) - - type(LocalCoord), pointer :: coord - - if (associated(coord)) then - ! recursively deallocate lower coordinates - if (associated(coord % next)) call deallocate_coord(coord%next) - - ! deallocate original coordinate - deallocate(coord) - end if - - end subroutine deallocate_coord - !=============================================================================== ! INITIALIZE_PARTICLE sets default attributes for a particle from the source ! bank @@ -137,9 +116,8 @@ contains this % fission = .false. ! Set up base level coordinates - allocate(this % coord0) - this % coord0 % universe = BASE_UNIVERSE - this % coord => this % coord0 + this % coord(1) % universe = BASE_UNIVERSE + this % n_coord = 1 end subroutine initialize_particle @@ -150,13 +128,30 @@ contains subroutine clear_particle(this) class(Particle) :: this + integer :: i ! remove any coordinate levels - call deallocate_coord(this % coord0) - - ! Make sure coord pointer is nullified - nullify(this % coord) + do i = 1, MAX_COORD + call this % coord(i) % reset() + end do end subroutine clear_particle +!=============================================================================== +! RESET_COORD +!=============================================================================== + + elemental subroutine reset_coord(this) + class(LocalCoord), intent(inout) :: this + + this % cell = NONE + this % universe = NONE + this % lattice = NONE + this % lattice_x = NONE + this % lattice_y = NONE + this % lattice_z = NONE + this % rotated = .false. + + end subroutine reset_coord + end module particle_header diff --git a/src/particle_restart.F90 b/src/particle_restart.F90 index 6ff5d63c2d..0ed25fdc80 100644 --- a/src/particle_restart.F90 +++ b/src/particle_restart.F90 @@ -89,13 +89,13 @@ contains call pr % read_data(p % id, 'id') call pr % read_data(p % wgt, 'weight') call pr % read_data(p % E, 'energy') - call pr % read_data(p % coord % xyz, 'xyz', length=3) - call pr % read_data(p % coord % uvw, 'uvw', length=3) + call pr % read_data(p % coord(1) % xyz, 'xyz', length=3) + call pr % read_data(p % coord(1) % uvw, 'uvw', length=3) ! Set particle last attributes p % last_wgt = p % wgt - p % last_xyz = p % coord % xyz - p % last_uvw = p % coord % uvw + p % last_xyz = p % coord(1) % xyz + p % last_uvw = p % coord(1) % uvw p % last_E = p % E ! Close hdf5 file diff --git a/src/particle_restart_write.F90 b/src/particle_restart_write.F90 index fa40d1e528..0ac55bd273 100644 --- a/src/particle_restart_write.F90 +++ b/src/particle_restart_write.F90 @@ -38,7 +38,7 @@ contains filename = trim(filename) // '.binary' #endif -!$omp critical +!$omp critical (WriteParticleRestart) ! Create file call pr % file_create(filename) @@ -66,7 +66,7 @@ contains ! Close file call pr % file_close() -!$omp end critical +!$omp end critical (WriteParticleRestart) end subroutine write_particle_restart diff --git a/src/physics.F90 b/src/physics.F90 index 69bbcff345..9ca59a9872 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -37,7 +37,7 @@ contains ! Store pre-collision particle properties p % last_wgt = p % wgt p % last_E = p % E - p % last_uvw = p % coord0 % uvw + p % last_uvw = p % coord(1) % uvw ! Add to collision counter for particle p % n_collision = p % n_collision + 1 @@ -74,8 +74,7 @@ contains integer :: i_nuclide ! index in nuclides array integer :: i_reaction ! index in nuc % reactions array - type(Nuclide), pointer, save :: nuc => null() -!$omp threadprivate(nuc) + type(Nuclide), pointer :: nuc i_nuclide = sample_nuclide(p, 'total ') @@ -133,8 +132,7 @@ contains real(8) :: cutoff real(8) :: atom_density ! atom density of nuclide in atom/b-cm real(8) :: sigma ! microscopic total xs for nuclide - type(Material), pointer, save :: mat => null() -!$omp threadprivate(mat) + type(Material), pointer :: mat ! Get pointer to current material mat => materials(p % material) @@ -144,7 +142,7 @@ contains case ('total') cutoff = prn() * material_xs % total case ('scatter') - cutoff = prn() * material_xs % total - material_xs % absorption + cutoff = prn() * (material_xs % total - material_xs % absorption) case ('fission') cutoff = prn() * material_xs % fission end select @@ -195,9 +193,8 @@ contains real(8) :: f real(8) :: prob real(8) :: cutoff - type(Nuclide), pointer, save :: nuc => null() - type(Reaction), pointer, save :: rxn => null() -!$omp threadprivate(nuc, rxn) + type(Nuclide), pointer :: nuc + type(Reaction), pointer :: rxn ! Get pointer to nuclide nuc => nuclides(i_nuclide) @@ -256,19 +253,19 @@ contains p % last_wgt = p % wgt ! Score implicit absorption estimate of keff -!$omp atomic - global_tallies(K_ABSORPTION) % value = & - global_tallies(K_ABSORPTION) % value + p % absorb_wgt * & - micro_xs(i_nuclide) % nu_fission / micro_xs(i_nuclide) % absorption + if (run_mode == MODE_EIGENVALUE) then + global_tally_absorption = global_tally_absorption + p % absorb_wgt * & + micro_xs(i_nuclide) % nu_fission / micro_xs(i_nuclide) % absorption + end if else ! See if disappearance reaction happens if (micro_xs(i_nuclide) % absorption > & prn() * micro_xs(i_nuclide) % total) then ! Score absorption estimate of keff -!$omp atomic - global_tallies(K_ABSORPTION) % value = & - global_tallies(K_ABSORPTION) % value + p % wgt * & - micro_xs(i_nuclide) % nu_fission / micro_xs(i_nuclide) % absorption + if (run_mode == MODE_EIGENVALUE) then + global_tally_absorption = global_tally_absorption + p % wgt * & + micro_xs(i_nuclide) % nu_fission / micro_xs(i_nuclide) % absorption + end if p % alive = .false. p % event = EVENT_ABSORB @@ -313,9 +310,8 @@ contains real(8) :: f real(8) :: prob real(8) :: cutoff - type(Nuclide), pointer, save :: nuc => null() - type(Reaction), pointer, save :: rxn => null() -!$omp threadprivate(nuc, rxn) + type(Nuclide), pointer :: nuc + type(Reaction), pointer :: rxn ! Get pointer to nuclide and grid index/interpolation factor nuc => nuclides(i_nuclide) @@ -336,7 +332,7 @@ contains if (micro_xs(i_nuclide) % index_sab /= NONE) then ! S(a,b) scattering call sab_scatter(i_nuclide, micro_xs(i_nuclide) % index_sab, & - p % E, p % coord0 % uvw, p % mu) + p % E, p % coord(1) % uvw, p % mu) else ! get pointer to elastic scattering reaction @@ -344,7 +340,7 @@ contains ! Perform collision physics for elastic scattering call elastic_scatter(i_nuclide, rxn, & - p % E, p % coord0 % uvw, p % mu, p % wgt) + p % E, p % coord(1) % uvw, p % mu, p % wgt) end if p % event_MT = ELASTIC @@ -386,7 +382,7 @@ contains end do ! Perform collision physics for inelastic scattering - call inelastic_scatter(nuc, rxn, p % E, p % coord0 % uvw, & + call inelastic_scatter(nuc, rxn, p % E, p % coord(1) % uvw, & p % mu, p % wgt) p % event_MT = rxn % MT @@ -418,8 +414,7 @@ contains real(8) :: v_cm(3) ! velocity of center-of-mass real(8) :: v_t(3) ! velocity of target nucleus real(8) :: uvw_cm(3) ! directional cosines in center-of-mass - type(Nuclide), pointer, save :: nuc => null() -!$omp threadprivate(nuc) + type(Nuclide), pointer :: nuc ! get pointer to nuclide nuc => nuclides(i_nuclide) @@ -433,7 +428,7 @@ contains ! Sample velocity of target nucleus if (.not. micro_xs(i_nuclide) % use_ptable) then call sample_target_velocity(nuc, v_t, E, uvw, v_n, wgt, & - & micro_xs(i_nuclide) % elastic) + & micro_xs(i_nuclide) % elastic) else v_t = ZERO end if @@ -497,7 +492,7 @@ contains real(8) :: mu_ijk ! outgoing cosine k for E_in(i) and E_out(j) real(8) :: mu_i1jk ! outgoing cosine k for E_in(i+1) and E_out(j) real(8) :: prob ! probability for sampling Bragg edge - type(SAlphaBeta), pointer, save :: sab => null() + type(SAlphaBeta), pointer :: sab ! Following are needed only for SAB_SECONDARY_CONT scattering integer :: l ! sampled incoming E bin (is i or i + 1) real(8) :: E_i_1, E_i_J ! endpoints on outgoing grid i @@ -509,8 +504,6 @@ contains real(8) :: frac ! interpolation factor on outgoing energy real(8) :: r1 ! RNG for outgoing energy -!$omp threadprivate(sab) - ! Get pointer to S(a,b) table sab => sab_tables(i_sab) @@ -589,7 +582,7 @@ contains ! accompanying PDF and CDF is utilized) if ((sab % secondary_mode == SAB_SECONDARY_EQUAL) .or. & - (sab % secondary_mode == SAB_SECONDARY_SKEWED)) then + (sab % secondary_mode == SAB_SECONDARY_SKEWED)) then if (sab % secondary_mode == SAB_SECONDARY_EQUAL) then ! All bins equally likely @@ -604,13 +597,13 @@ contains if (r > ONE) then ! equally likely N-4 middle bins j = int(r) + 2 - elseif (r > 0.6) then + elseif (r > 0.6_8) then ! second to last bin has relative probability of 0.4 j = n_energy_out - 1 - elseif (r > 0.5) then + elseif (r > HALF) then ! last bin has relative probability of 0.1 j = n_energy_out - elseif (r > 0.1) then + elseif (r > 0.1_8) then ! second bin has relative probability of 0.4 j = 2 else @@ -825,8 +818,8 @@ contains case ('dbrc') E_red = sqrt((awr * E) / kT) - E_low = (((E_red - 4.0_8)**2) * kT) / awr - E_up = (((E_red + 4.0_8)**2) * kT) / awr + E_low = (((E_red - FOUR)**2) * kT) / awr + E_up = (((E_red + FOUR)**2) * kT) / awr ! find lower and upper energy bound indices ! lower index @@ -850,16 +843,16 @@ contains ! interpolate xs since we're not exactly at the energy indices xs_low = nuc % elastic_0K(i_E_low) m = (nuc % elastic_0K(i_E_low + 1) - xs_low) & - & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) + & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) xs_low = xs_low + m * (E_low - nuc % energy_0K(i_E_low)) xs_up = nuc % elastic_0K(i_E_up) m = (nuc % elastic_0K(i_E_up + 1) - xs_up) & - & / (nuc % energy_0K(i_E_up + 1) - nuc % energy_0K(i_E_up)) + & / (nuc % energy_0K(i_E_up + 1) - nuc % energy_0K(i_E_up)) xs_up = xs_up + m * (E_up - nuc % energy_0K(i_E_up)) ! get max 0K xs value over range of practical relative energies xs_max = max(xs_low, & - & maxval(nuc % elastic_0K(i_E_low + 1 : i_E_up - 1)), xs_up) + & maxval(nuc % elastic_0K(i_E_low + 1 : i_E_up - 1)), xs_up) reject = .true. @@ -879,8 +872,8 @@ contains case ('ares') E_red = sqrt((awr * E) / kT) - E_low = (((E_red - 4.0_8)**2) * kT) / awr - E_up = (((E_red + 4.0_8)**2) * kT) / awr + E_low = (((E_red - FOUR)**2) * kT) / awr + E_up = (((E_red + FOUR)**2) * kT) / awr ! find lower and upper energy bound indices ! lower index @@ -905,26 +898,26 @@ contains ! cdf value at lower bound attainable energy if (i_E_low > 1) then m = (nuc % xs_cdf(i_E_low) - nuc % xs_cdf(i_E_low - 1)) & - & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) + & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) cdf_low = nuc % xs_cdf(i_E_low - 1) & - & + m * (E_low - nuc % energy_0K(i_E_low)) + & + m * (E_low - nuc % energy_0K(i_E_low)) else m = nuc % xs_cdf(i_E_low) & - & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) + & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) cdf_low = m * (E_low - nuc % energy_0K(i_E_low)) if (E_low <= nuc % energy_0K(1)) cdf_low = ZERO end if ! cdf value at upper bound attainable energy m = (nuc % xs_cdf(i_E_up) - nuc % xs_cdf(i_E_up - 1)) & - & / (nuc % energy_0K(i_E_up + 1) - nuc % energy_0K(i_E_up)) + & / (nuc % energy_0K(i_E_up + 1) - nuc % energy_0K(i_E_up)) cdf_up = nuc % xs_cdf(i_E_up - 1) & - & + m * (E_up - nuc % energy_0K(i_E_up)) + & + m * (E_up - nuc % energy_0K(i_E_up)) ! values used to sample the Maxwellian E_mode = kT p_mode = TWO * sqrt(E_mode / pi) * sqrt((ONE / kT)**3) & - & * exp(-E_mode / kT) + & * exp(-E_mode / kT) E_t_max = 16.0_8 * E_mode reject = .true. @@ -934,7 +927,7 @@ contains ! perform Maxwellian rejection sampling E_t = E_t_max * prn()**2 p_t = TWO * sqrt(E_t / pi) * sqrt((ONE / kT)**3) & - & * exp(-E_t / kT) + & * exp(-E_t / kT) R_speed = p_t / p_mode if (prn() < R_speed) then @@ -942,12 +935,12 @@ contains ! sample a relative energy using the xs cdf cdf_rel = cdf_low + prn() * (cdf_up - cdf_low) i_E_rel = binary_search(nuc % xs_cdf(i_E_low-1:i_E_up), & - & i_E_up - i_E_low + 2, cdf_rel) + & i_E_up - i_E_low + 2, cdf_rel) E_rel = nuc % energy_0K(i_E_low + i_E_rel - 1) m = (nuc % xs_cdf(i_E_low + i_E_rel - 1) & - & - nuc % xs_cdf(i_E_low + i_E_rel - 2)) & - & / (nuc % energy_0K(i_E_low + i_E_rel) & - & - nuc % energy_0K(i_E_low + i_E_rel - 1)) + & - nuc % xs_cdf(i_E_low + i_E_rel - 2)) & + & / (nuc % energy_0K(i_E_low + i_E_rel) & + & - nuc % energy_0K(i_E_low + i_E_rel - 1)) E_rel = E_rel + (cdf_rel - nuc % xs_cdf(i_E_low + i_E_rel - 2)) / m ! perform rejection sampling on cosine between @@ -1033,7 +1026,7 @@ contains ! Determine rejection probability accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & - /(beta_vn + beta_vt) + /(beta_vn + beta_vt) ! Perform rejection sampling on vt and mu if (prn() < accept_prob) exit @@ -1067,9 +1060,8 @@ contains real(8) :: phi ! fission neutron azimuthal angle real(8) :: weight ! weight adjustment for ufs method logical :: in_mesh ! source site in ufs mesh? - type(Nuclide), pointer, save :: nuc => null() - type(Reaction), pointer, save :: rxn => null() -!$omp threadprivate(nuc, rxn) + type(Nuclide), pointer :: nuc + type(Reaction), pointer :: rxn ! Get pointers nuc => nuclides(i_nuclide) @@ -1082,7 +1074,7 @@ contains if (ufs) then ! Determine indices on ufs mesh for current location - call get_mesh_indices(ufs_mesh, p % coord0 % xyz, ijk, in_mesh) + call get_mesh_indices(ufs_mesh, p % coord(1) % xyz, ijk, in_mesh) if (.not. in_mesh) then call write_particle_restart(p) call fatal_error("Source site outside UFS mesh!") @@ -1120,7 +1112,7 @@ contains p % fission = .true. ! Fission neutrons will be banked do i = int(n_bank,4) + 1, int(min(n_bank + nu, int(size(fission_bank),8)),4) ! Bank source neutrons by copying particle data - fission_bank(i) % xyz = p % coord0 % xyz + fission_bank(i) % xyz = p % coord(1) % xyz ! Set weight of fission bank site fission_bank(i) % wgt = ONE/weight @@ -1175,8 +1167,7 @@ contains real(8) :: xi ! random number real(8) :: yield ! delayed neutron precursor yield real(8) :: prob ! cumulative probability - type(DistEnergy), pointer, save :: edist => null() -!$omp threadprivate(edist) + type(DistEnergy), pointer :: edist ! Determine total nu nu_t = nu_total(nuc, E) diff --git a/src/plot.F90 b/src/plot.F90 index d9f6b55e2b..e507b6093b 100644 --- a/src/plot.F90 +++ b/src/plot.F90 @@ -7,7 +7,7 @@ module plot use global use mesh, only: get_mesh_indices use output, only: write_message - use particle_header, only: deallocate_coord, Particle, LocalCoord + use particle_header, only: Particle, LocalCoord use plot_header use ppmlib, only: Image, init_image, allocate_image, & deallocate_image, set_pixel @@ -46,7 +46,7 @@ contains end subroutine run_plot !=============================================================================== -! POSITION_RGB computes the red/green/blue values for a given plot with the +! POSITION_RGB computes the red/green/blue values for a given plot with the ! current particle's position !=============================================================================== @@ -56,28 +56,20 @@ contains type(ObjectPlot), pointer, intent(in) :: pl integer, intent(out) :: rgb(3) integer, intent(out) :: id - + + integer :: j logical :: found_cell - integer :: level - type(Cell), pointer :: c => null() - type(LocalCoord), pointer :: coord => null() - - call deallocate_coord(p % coord0 % next) - p % coord => p % coord0 + type(Cell), pointer :: c + + p % n_coord = 1 call find_cell(p, found_cell) + j = p % n_coord if (check_overlaps) call check_cell_overlap(p) - ! Loop through universes and stop on any specified level - level = 0 - coord => p % coord0 - do - if (level == pl % level) exit - if (.not. associated(coord % next)) exit - coord => coord % next - level = level + 1 - end do - + ! Set coordinate level if specified + if (pl % level >= 0) j = pl % level + 1 + if (.not. found_cell) then ! If no cell, revert to default color rgb = pl % not_found % rgb @@ -85,7 +77,7 @@ contains else if (pl % color_by == PLOT_COLOR_MATS) then ! Assign color based on material - c => cells(coord % cell) + c => cells(p % coord(j) % cell) if (c % material == MATERIAL_VOID) then ! By default, color void cells white rgb = 255 @@ -100,14 +92,14 @@ contains end if else if (pl % color_by == PLOT_COLOR_CELLS) then ! Assign color based on cell - rgb = pl % colors(coord % cell) % rgb - id = cells(coord % cell) % id + rgb = pl % colors(p % coord(j) % cell) % rgb + id = cells(p % coord(j) % cell) % id else rgb = 0 id = -1 end if end if - + end subroutine position_rgb !=============================================================================== @@ -141,31 +133,31 @@ contains if (pl % basis == PLOT_BASIS_XY) then in_i = 1 out_i = 2 - xyz(1) = pl % origin(1) - pl % width(1) / 2.0 - xyz(2) = pl % origin(2) + pl % width(2) / 2.0 + xyz(1) = pl % origin(1) - pl % width(1) / TWO + xyz(2) = pl % origin(2) + pl % width(2) / TWO xyz(3) = pl % origin(3) else if (pl % basis == PLOT_BASIS_XZ) then in_i = 1 out_i = 3 - xyz(1) = pl % origin(1) - pl % width(1) / 2.0 + xyz(1) = pl % origin(1) - pl % width(1) / TWO xyz(2) = pl % origin(2) - xyz(3) = pl % origin(3) + pl % width(2) / 2.0 + xyz(3) = pl % origin(3) + pl % width(2) / TWO else if (pl % basis == PLOT_BASIS_YZ) then in_i = 2 out_i = 3 xyz(1) = pl % origin(1) - xyz(2) = pl % origin(2) - pl % width(1) / 2.0 - xyz(3) = pl % origin(3) + pl % width(2) / 2.0 + xyz(2) = pl % origin(2) - pl % width(1) / TWO + xyz(3) = pl % origin(3) + pl % width(2) / TWO end if ! allocate and initialize particle call p % initialize() - p % coord % xyz = xyz - p % coord % uvw = (/ 0.5, 0.5, 0.5 /) - p % coord % universe = BASE_UNIVERSE + p % coord(1) % xyz = xyz + p % coord(1) % uvw = [ HALF, HALF, HALF ] + p % coord(1) % universe = BASE_UNIVERSE do y = 1, img % height - call progress % set_value(dble(y)/dble(img % height)*100.) + call progress % set_value(dble(y)/dble(img % height)*100) do x = 1, img % width ! get pixel color @@ -175,12 +167,12 @@ contains call set_pixel(img, x-1, y-1, rgb(1), rgb(2), rgb(3)) ! Advance pixel in first direction - p % coord0 % xyz(in_i) = p % coord0 % xyz(in_i) + in_pixel + p % coord(1) % xyz(in_i) = p % coord(1) % xyz(in_i) + in_pixel end do ! Advance pixel in second direction - p % coord0 % xyz(in_i) = xyz(in_i) - p % coord0 % xyz(out_i) = p % coord0 % xyz(out_i) - out_pixel + p % coord(1) % xyz(in_i) = xyz(in_i) + p % coord(1) % xyz(out_i) = p % coord(1) % xyz(out_i) - out_pixel end do ! Draw tally mesh boundaries on the image if requested @@ -201,10 +193,10 @@ contains ! DRAW_MESH_LINES draws mesh line boundaries on an image !=============================================================================== subroutine draw_mesh_lines(pl, img) - + type(ObjectPlot), pointer, intent(in) :: pl type(Image), intent(inout) :: img - + logical :: in_mesh integer :: out_, in_ ! pixel location integer :: r, g, b ! RGB color for meshlines pixels @@ -221,13 +213,13 @@ contains real(8) :: xyz_ll(3) ! lower left xyz real(8) :: xyz_ur(3) ! upper right xyz type(StructuredMesh), pointer :: m => null() - + m => pl % meshlines_mesh - + r = pl % meshlines_color % rgb(1) g = pl % meshlines_color % rgb(2) b = pl % meshlines_color % rgb(3) - + select case (pl % basis) case(PLOT_BASIS_XY) outer = 1 @@ -243,10 +235,10 @@ contains xyz_ll_plot = pl % origin xyz_ur_plot = pl % origin - xyz_ll_plot(outer) = pl % origin(1) - pl % width(1) / 2.0 - xyz_ll_plot(inner) = pl % origin(2) - pl % width(2) / 2.0 - xyz_ur_plot(outer) = pl % origin(1) + pl % width(1) / 2.0 - xyz_ur_plot(inner) = pl % origin(2) + pl % width(2) / 2.0 + xyz_ll_plot(outer) = pl % origin(1) - pl % width(1) / TWO + xyz_ll_plot(inner) = pl % origin(2) - pl % width(2) / TWO + xyz_ur_plot(outer) = pl % origin(1) + pl % width(1) / TWO + xyz_ur_plot(inner) = pl % origin(2) + pl % width(2) / TWO width = xyz_ur_plot - xyz_ll_plot @@ -258,25 +250,25 @@ contains do j = ijk_ll(inner), ijk_ur(inner) ! check if we're in the mesh for this ijk if (i > 0 .and. i <= m % dimension(outer) .and. & - j > 0 .and. j <= m % dimension(inner)) then - + j > 0 .and. j <= m % dimension(inner)) then + ! get xyz's of lower left and upper right of this mesh cell xyz_ll(outer) = m % lower_left(outer) + m % width(outer) * (i - 1) xyz_ll(inner) = m % lower_left(inner) + m % width(inner) * (j - 1) xyz_ur(outer) = m % lower_left(outer) + m % width(outer) * i xyz_ur(inner) = m % lower_left(inner) + m % width(inner) * j - + ! map the xyz ranges to pixel ranges - + frac = (xyz_ll(outer) - xyz_ll_plot(outer)) / width(outer) outrange(1) = int(frac * real(img % width, 8)) frac = (xyz_ur(outer) - xyz_ll_plot(outer)) / width(outer) outrange(2) = int(frac * real(img % width, 8)) frac = (xyz_ur(inner) - xyz_ll_plot(inner)) / width(inner) - inrange(1) = int((1. - frac) * real(img % height, 8)) + inrange(1) = int((ONE - frac) * real(img % height, 8)) frac = (xyz_ll(inner) - xyz_ll_plot(inner)) / width(inner) - inrange(2) = int((1. - frac) * real(img % height, 8)) + inrange(2) = int((ONE - frac) * real(img % height, 8)) ! draw lines do out_ = outrange(1), outrange(2) @@ -295,11 +287,11 @@ contains call set_pixel(img, outrange(2) - plus, in_, r, g, b) end do end do - + end if end do end do - + end subroutine draw_mesh_lines !=============================================================================== @@ -350,7 +342,7 @@ contains subroutine create_3d_dump(pl) type(ObjectPlot), pointer :: pl - + integer :: x, y, z ! voxel location indices integer :: rgb(3) ! colors (red, green, blue) from 0-255 integer :: id ! id of cell or material @@ -361,15 +353,15 @@ contains ! compute voxel widths in each direction vox = pl % width/dble(pl % pixels) - + ! initial particle position - ll = pl % origin - pl % width / 2.0 + ll = pl % origin - pl % width / TWO ! allocate and initialize particle call p % initialize() - p % coord0 % xyz = ll - p % coord0 % uvw = (/ 0.5, 0.5, 0.5 /) - p % coord0 % universe = BASE_UNIVERSE + p % coord(1) % xyz = ll + p % coord(1) % uvw = [ HALF, HALF, HALF ] + p % coord(1) % universe = BASE_UNIVERSE ! Open binary plot file for writing open(UNIT=UNIT_PLOT, FILE=pl % path_plot, STATUS='replace', & @@ -378,11 +370,11 @@ contains ! write plot header info write(UNIT_PLOT) pl % pixels, vox, ll - ! move to center of voxels - ll = ll + vox / 2.0 + ! move to center of voxels + ll = ll + vox / TWO do x = 1, pl % pixels(1) - call progress % set_value(dble(x)/dble(pl % pixels(1))*100.) + call progress % set_value(dble(x)/dble(pl % pixels(1))*100) do y = 1, pl % pixels(2) do z = 1, pl % pixels(3) @@ -393,21 +385,21 @@ contains write(UNIT_PLOT) id ! advance particle in z direction - p % coord0 % xyz(3) = p % coord0 % xyz(3) + vox(3) - + p % coord(1) % xyz(3) = p % coord(1) % xyz(3) + vox(3) + end do - + ! advance particle in y direction - p % coord0 % xyz(2) = p % coord0 % xyz(2) + vox(2) - p % coord0 % xyz(3) = ll(3) - + p % coord(1) % xyz(2) = p % coord(1) % xyz(2) + vox(2) + p % coord(1) % xyz(3) = ll(3) + end do - + ! advance particle in y direction - p % coord0 % xyz(1) = p % coord0 % xyz(1) + vox(1) - p % coord0 % xyz(2) = ll(2) - p % coord0 % xyz(3) = ll(3) - + p % coord(1) % xyz(1) = p % coord(1) % xyz(1) + vox(1) + p % coord(1) % xyz(2) = ll(2) + p % coord(1) % xyz(3) = ll(3) + end do close(UNIT_PLOT) diff --git a/src/plot_header.F90 b/src/plot_header.F90 index 7ce0aa4500..8dc725d9d4 100644 --- a/src/plot_header.F90 +++ b/src/plot_header.F90 @@ -24,7 +24,7 @@ module plot_header integer :: color_by ! quantity to color regions by real(8) :: origin(3) ! xyz center of plot location real(8) :: width(3) ! xyz widths of plot - integer :: basis ! direction of plot slice + integer :: basis ! direction of plot slice integer :: pixels(3) ! pixel width/height of plot slice integer :: meshlines_width ! pixel width of meshlines integer :: level ! universe depth to plot the cells of @@ -37,7 +37,7 @@ module plot_header ! Plot type integer, parameter :: PLOT_TYPE_SLICE = 1 integer, parameter :: PLOT_TYPE_VOXEL = 2 - + ! Plot level integer, parameter :: PLOT_LEVEL_LOWEST = -1 diff --git a/src/ppmlib.F90 b/src/ppmlib.F90 index b9df00e1ca..ebd8105bef 100644 --- a/src/ppmlib.F90 +++ b/src/ppmlib.F90 @@ -1,7 +1,7 @@ module ppmlib implicit none - + !=============================================================================== ! Image holds RGB information for output PPM image !=============================================================================== @@ -12,7 +12,7 @@ module ppmlib end type Image contains - + !=============================================================================== ! INIT_IMAGE initializes the Image derived type !=============================================================================== @@ -55,7 +55,7 @@ contains !=============================================================================== ! DEALLOCATE_IMAGE !=============================================================================== - + subroutine deallocate_image(img) type(Image) :: img @@ -70,7 +70,7 @@ contains ! INSIDE_IMAGE determines whether a point (x,y) is inside the image !=============================================================================== - + function inside_image(img, x, y) result(inside) type(Image), intent(in) :: img @@ -83,7 +83,7 @@ contains (x >= 0) .and. (y >= 0)) inside = .true. end function inside_image - + !=============================================================================== ! VALID_IMAGE checks whether the image has a width and height and if its color ! arrays are allocated @@ -123,5 +123,5 @@ contains end if end subroutine set_pixel - + end module ppmlib diff --git a/src/progress_header.F90 b/src/progress_header.F90 index d0ee7563a5..5f462e0fac 100644 --- a/src/progress_header.F90 +++ b/src/progress_header.F90 @@ -22,12 +22,12 @@ module progress_header private character(len=72) :: bar="???% | " // & " |" - contains - procedure :: set_value => bar_set_value + contains + procedure :: set_value => bar_set_value end type ProgressBar contains - + !=============================================================================== ! IS_TERMINAL checks if output is currently being output to a terminal. Relies ! on a POSIX implementation of isatty, and defaults to false if that is not @@ -46,7 +46,7 @@ contains #endif end function is_terminal - + !=============================================================================== ! BAR_SET_VALUE prints the progress bar without advancing. The value is ! specified as percent completion, from 0 to 100. If the value is ever set to @@ -57,7 +57,7 @@ contains class(ProgressBar), intent(inout) :: self real(8), intent(in) :: val - + integer :: i if (.not. is_terminal()) return @@ -84,19 +84,19 @@ contains write(OUTPUT_UNIT, '(A1,A1,A72)', ADVANCE='no') '+', char(13), self % bar flush(OUTPUT_UNIT) - + if (val >= 100.) then - + ! make new line write(OUTPUT_UNIT, "(A)") "" flush(OUTPUT_UNIT) - + ! reset the bar in case we want to use this instance again self % bar = "???% | " // & " |" - + end if - + end subroutine bar_set_value end module progress_header diff --git a/src/random_lcg.F90 b/src/random_lcg.F90 index e6a28587df..1ebe651d3c 100644 --- a/src/random_lcg.F90 +++ b/src/random_lcg.F90 @@ -93,7 +93,7 @@ contains end do end subroutine set_particle_seed - + !=============================================================================== ! PRN_SKIP advances the random number seed 'n' times from the current seed !=============================================================================== diff --git a/src/relaxng/cmfd.rnc b/src/relaxng/cmfd.rnc index bbb7fc9e6b..dde97f971e 100644 --- a/src/relaxng/cmfd.rnc +++ b/src/relaxng/cmfd.rnc @@ -17,7 +17,7 @@ element cmfd { (element energy { list { xsd:double+ } } | attribute energy { list { xsd:double+ } })? } & - + element norm { xsd:double }? & element feedback { xsd:boolean }? & @@ -26,12 +26,6 @@ element cmfd { element dhat_reset { xsd:boolean }? & - element solver { xsd:string }? & - - element snes_monitor { xsd:boolean }? & - - element ksp_monitor { xsd:boolean }? & - element power_monitor { xsd:boolean }? & element write_matrices { xsd:boolean }? & @@ -50,9 +44,9 @@ element cmfd { element shift { xsd:double }? & - element ktol { xsd: double }? & + element ktol { xsd:double }? & - element stol { xsd: double }? & + element stol { xsd:double }? & element gauss_seidel_tolerance { list { xsd:double+ } }? diff --git a/src/relaxng/cmfd.rng b/src/relaxng/cmfd.rng new file mode 100644 index 0000000000..dc096ab87e --- /dev/null +++ b/src/relaxng/cmfd.rng @@ -0,0 +1,215 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/relaxng/cross_sections.rng b/src/relaxng/cross_sections.rng new file mode 100644 index 0000000000..5e531e0132 --- /dev/null +++ b/src/relaxng/cross_sections.rng @@ -0,0 +1,132 @@ + + + + + + + + + + 15 + + + + + 15 + + + + + + + + 15 + + + + + 15 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 255 + + + + + 255 + + + + + + + + + + + + + + + + + + ascii + binary + + + + + ascii + binary + + + + + + + + + + + 255 + + + + + + ascii + binary + + + + + + + + + + + + + + diff --git a/src/relaxng/geometry.rnc b/src/relaxng/geometry.rnc index 62827f04c1..cebbc5b6a3 100644 --- a/src/relaxng/geometry.rnc +++ b/src/relaxng/geometry.rnc @@ -1,6 +1,8 @@ element geometry { element cell { (element id { xsd:int } | attribute id { xsd:int }) & + (element name { xsd:string { maxLength="52" } } | + attribute name { xsd:string { maxLength="52" } })? & (element universe { xsd:int } | attribute universe { xsd:int })? & ( (element fill { xsd:int } | attribute fill { xsd:int }) | @@ -14,6 +16,8 @@ element geometry { & element surface { (element id { xsd:int } | attribute id { xsd:int }) & + (element name { xsd:string { maxLength="52" } } | + attribute name { xsd:string { maxLength="52" } })? & (element type { xsd:string { maxLength = "15" } } | attribute type { xsd:string { maxLength = "15" } }) & (element coeffs { list { xsd:double+ } } | attribute coeffs { list { xsd:double+ } }) & @@ -23,13 +27,25 @@ element geometry { & element lattice { (element id { xsd:int } | attribute id { xsd:int }) & - (element type { ( "rect" | "rectangle" | "rectangular" | "hexagonal" ) } | - attribute type { ( "rect" | "rectangle" | "rectangular" | "hexagonal" ) })? & + (element name { xsd:string { maxLength="52" } } | + attribute name { xsd:string { maxLength="52" } })? & (element dimension { list { xsd:positiveInteger+ } } | attribute dimension { list { xsd:positiveInteger+ } }) & (element lower_left { list { xsd:double+ } } | attribute lower_left { list { xsd:double+ } }) & - (element width { list { xsd:double+ } } | attribute width { list { xsd:double+ } }) & + (element pitch { list { xsd:double+ } } | attribute pitch { list { xsd:double+ } }) & (element universes { list { xsd:int+ } } | attribute universes { list { xsd:int+ } }) & (element outside { xsd:int } | attribute outside { xsd:int })? }* + + & element hex_lattice { + (element id { xsd:int } | attribute id { xsd:int }) & + (element name { xsd:string { maxLength="52" } } | + attribute name { xsd:string { maxLength="52" } })? & + (element n_rings { xsd:int } | attribute n_rings { xsd:int }) & + (element n_axial { xsd:int } | attribute n_axial { xsd:int })? & + (element center { list { xsd:double+ } } | attribute center { list { xsd:double+ } }) & + (element pitch { list { xsd:double+ } } | attribute pitch { list { xsd:double+ } }) & + (element universes { list { xsd:int+ } } | attribute universes { list { xsd:int+ } }) & + (element outer { xsd:int } | attribute outer { xsd:int })? + }* } diff --git a/src/relaxng/geometry.rng b/src/relaxng/geometry.rng new file mode 100644 index 0000000000..fdbf74cbd5 --- /dev/null +++ b/src/relaxng/geometry.rng @@ -0,0 +1,401 @@ + + + + + + + + + + + + + + + + + + + 52 + + + + + 52 + + + + + + + + + + + + + + + + + + + + + + + + + + + + void + + + + + + void + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 52 + + + + + 52 + + + + + + + + 15 + + + + + 15 + + + + + + + + + + + + + + + + + + + + + + + + transmit + reflective + vacuum + + + + + transmit + reflective + vacuum + + + + + + + + + + + + + + + + + + + + + + + 52 + + + + + 52 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 52 + + + + + 52 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/relaxng/materials.rnc b/src/relaxng/materials.rnc index d497fa745f..ae85654972 100644 --- a/src/relaxng/materials.rnc +++ b/src/relaxng/materials.rnc @@ -1,6 +1,8 @@ element materials { element material { (element id { xsd:int } | attribute id { xsd:int }) & + (element name { xsd:string { maxLength="52" } } | + attribute name { xsd:string { maxLength="52" } })? & element density { (element value { xsd:double } | attribute value { xsd:double })? & diff --git a/src/relaxng/materials.rng b/src/relaxng/materials.rng new file mode 100644 index 0000000000..4c9496eae4 --- /dev/null +++ b/src/relaxng/materials.rng @@ -0,0 +1,184 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 10 + + + + + 10 + + + + + + + + + + + + 7 + + + + + 7 + + + + + + + + 3 + + + + + 3 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2 + + + + + 2 + + + + + + + + 3 + + + + + 3 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 7 + + + + + 7 + + + + + + + + 3 + + + + + 3 + + + + + + + + + + + + + + 3 + + + + + diff --git a/src/relaxng/plots.rng b/src/relaxng/plots.rng new file mode 100644 index 0000000000..a21f4d141e --- /dev/null +++ b/src/relaxng/plots.rng @@ -0,0 +1,295 @@ + + + + + + + + + + + + + + + + + + + + 50 + + + + + 50 + + + + + + + + + slice + voxel + + + + + slice + voxel + + + + + + + + + cell + mat + material + + + + + cell + mat + material + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + xy + yz + xz + + + + + xy + yz + xz + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + tally + entropy + ufs + cmfd + + + + + tally + entropy + ufs + cmfd + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/relaxng/readme.rst b/src/relaxng/readme.rst new file mode 100644 index 0000000000..9660e3f8ce --- /dev/null +++ b/src/relaxng/readme.rst @@ -0,0 +1,19 @@ +===================== +Editing RelaxNG files +===================== + +All direct edits to RelaxNG files should be in the .rnc files. The program +TRANG_ should be used to generate a correcsponding .rng file. For Ubuntu, you +can install with: + +.. code-block:: bash + + sudo apt-get install trang + +To convert the .rnc file to .rng, use the following syntax: + +.. code-block:: bash + + trang {filename}.rnc {filename}.rng + +.. _TRANG: http://www.thaiopensource.com/relaxng/trang.html diff --git a/src/relaxng/settings.rnc b/src/relaxng/settings.rnc index a7b92e1738..a95b1f297e 100644 --- a/src/relaxng/settings.rnc +++ b/src/relaxng/settings.rnc @@ -10,7 +10,12 @@ element settings { (element particles { xsd:positiveInteger } | attribute particles { xsd:positiveInteger }) & (element generations_per_batch { xsd:positiveInteger } | - attribute generations_per_batch { xsd:positiveInteger })? + attribute generations_per_batch { xsd:positiveInteger })? & + (element keff_trigger { + (element type { xsd:string } | attribute type { xsd:string }) & + (element threshold { xsd:double} | attribute threshold { xsd:double }) + } + )? } | element fixed_source { (element batches { xsd:positiveInteger } | @@ -27,7 +32,7 @@ element settings { (element weight_avg { xsd:double } | attribute weight_avg { xsd:double })? }? & - element energy_grid { ( "nuclide" | "log" | "logarithm" | "logarithmic" ) }? & + element energy_grid { ( "nuclide" | "log" | "logarithm" | "logarithmic" | "material-union" | "union" ) }? & element entropy { (element dimension { list { xsd:int+ } } | @@ -123,6 +128,12 @@ element settings { element track { list { xsd:positiveInteger+ } }? & + element trigger { + (element active { xsd:boolean } | attribute active { xsd:boolean }) & + (element max_batches { xsd:positiveInteger } | attribute max_batches { xsd:positiveInteger }) & + (element batch_interval { xsd:positiveInteger } | attribute batch_interval { xsd:positiveInteger })? + }? & + element verbosity { xsd:positiveInteger }? & element uniform_fs{ diff --git a/src/relaxng/settings.rng b/src/relaxng/settings.rng new file mode 100644 index 0000000000..8dd1a6febc --- /dev/null +++ b/src/relaxng/settings.rng @@ -0,0 +1,760 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 255 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + nuclide + log + logarithm + logarithmic + material-union + union + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 20 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 255 + + + + + + + + + + + + + + + + + + + + + + + + + 255 + + + + + + + + + + 16 + + + + + 16 + + + + + + + + + + + + + + + + + + 10 + + + + + 10 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 16 + + + + + 16 + + + + + + + + + + + + + + + + + + 10 + + + + + 10 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 16 + + + + + 16 + + + + + + + + + + + + + + + + + + 10 + + + + + 10 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 12 + + + + + 12 + + + + + + + 16 + + + + + 16 + + + + + + + 12 + + + + + 12 + + + + + + + 12 + + + + + 12 + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/relaxng/tallies.rnc b/src/relaxng/tallies.rnc index 06959276bc..c2e0860b8e 100644 --- a/src/relaxng/tallies.rnc +++ b/src/relaxng/tallies.rnc @@ -17,26 +17,29 @@ element tallies { element tally { (element id { xsd:int } | attribute id { xsd:int }) & - (element label { xsd:string { maxLength="52" } } | - attribute label { xsd:string { maxLength="52" } })? & + (element name { xsd:string { maxLength="52" } } | + attribute name { xsd:string { maxLength="52" } })? & (element estimator { ( "analog" | "tracklength" ) } | attribute estimator { ( "analog" | "tracklength" ) })? & element filter { (element type { ( "cell" | "cellborn" | "material" | "universe" | - "surface" | "mesh" | "energy" | "energyout" ) } | + "surface" | "distribcell" | "mesh" | "energy" | "energyout" ) } | attribute type { ( "cell" | "cellborn" | "material" | "universe" | - "surface" | "mesh" | "energy" | "energyout" ) }) & - (element bins { list { xsd:string { maxLength = "20" }+ } } | - attribute bins { list { xsd:string { maxLength = "20" }+ } }) & - (element groups { xsd:string { maxLength = "20" }+ } | - attribute groups { xsd:string { maxLength = "20" }+ })? + "surface" | "distribcell" | "mesh" | "energy" | "energyout" ) }) & + (element bins { list { xsd:double+ } } | + attribute bins { list { xsd:double+ } }) }* & element nuclides { list { xsd:string { maxLength = "12" }+ } }? & element scores { list { xsd:string { maxLength = "20" }+ } - } + } & + element trigger { + (element type { xsd:string } | attribute type { xsd:string }) & + (element threshold { xsd:double} | attribute threshold { xsd:double }) & + (element scores { list { xsd:string { maxLength = "20" }+ } } | attribute scores { list { xsd:string { maxLength = "20"}+ } } )? + }? }* & element assume_separate { xsd:boolean }? diff --git a/src/relaxng/tallies.rng b/src/relaxng/tallies.rng new file mode 100644 index 0000000000..9ea941feab --- /dev/null +++ b/src/relaxng/tallies.rng @@ -0,0 +1,262 @@ + + + + + + + + + + + + + + + + + + rectangular + hexagonal + + + + + rectangular + hexagonal + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 52 + + + + + 52 + + + + + + + + + analog + tracklength + + + + + analog + tracklength + + + + + + + + + + + cell + cellborn + material + universe + surface + distribcell + mesh + energy + energyout + + + + + cell + cellborn + material + universe + surface + distribcell + mesh + energy + energyout + + + + + + + + + + + + + + + + + + + + + + + + + + + + 12 + + + + + + + + + + 20 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 20 + + + + + + + + + 20 + + + + + + + + + + + + + + + + + + + diff --git a/src/search.F90 b/src/search.F90 index 8de05a955b..dab7fa67ca 100644 --- a/src/search.F90 +++ b/src/search.F90 @@ -62,7 +62,7 @@ contains n_iteration = n_iteration + 1 if (n_iteration == MAX_ITERATION) then call fatal_error("Reached maximum number of iterations on binary & - &search.") + &search.") end if end do @@ -114,7 +114,7 @@ contains n_iteration = n_iteration + 1 if (n_iteration == MAX_ITERATION) then call fatal_error("Reached maximum number of iterations on binary & - &search.") + &search.") end if end do @@ -166,7 +166,7 @@ contains n_iteration = n_iteration + 1 if (n_iteration == MAX_ITERATION) then call fatal_error("Reached maximum number of iterations on binary & - &search.") + &search.") end if end do diff --git a/src/solver_interface.F90 b/src/solver_interface.F90 deleted file mode 100644 index 9673684063..0000000000 --- a/src/solver_interface.F90 +++ /dev/null @@ -1,317 +0,0 @@ -module solver_interface - - use error, only: fatal_error - use matrix_header, only: Matrix - use vector_header, only: Vector - -#ifdef PETSC - use petscksp - use petscsnes -# include -#endif - - implicit none - private - - ! GMRES solver type - type, public :: GMRESSolver -#ifdef PETSC - type(ksp) :: ksp_ ! Krylov linear solver instance - type(pc) :: pc_ ! Preconditioner instance -#endif - contains -#ifdef PETSC - procedure :: create => petsc_gmres_create - procedure :: set_oper => petsc_gmres_set_oper - procedure :: destroy => petsc_gmres_destroy - procedure :: solve => petsc_gmres_solve -#endif - end type GMRESSolver - - ! Derived type to contain list of data needed to be passed to procedures - type, public :: Jfnk_ctx - procedure (res_interface), pointer, nopass :: res_proc_ptr - procedure (jac_interface), pointer, nopass :: jac_proc_ptr - end type Jfnk_ctx - - ! JFNK solver type - type, public :: JFNKSolver -#ifdef PETSC - type(ksp) :: ksp_ ! Krylov linear solver instance - type(pc) :: pc_ ! Preconditioner instance - type(snes) :: snes_ ! Nonlinear solver instance - type(mat) :: jac_mf ! Matrix free jacobian instance - integer :: ls ! Line search instance -#endif - contains -#ifdef PETSC - procedure :: create => petsc_jfnk_create - procedure :: destroy => petsc_jfnk_destroy - procedure :: set_functions => petsc_jfnk_set_functions - procedure :: solve => petsc_jfnk_solve -#endif - end type JFNKSolver - - ! Abstract interface stating how jacobian and residual routines look - abstract interface - subroutine res_interface(x, res) - import :: Vector - type(Vector), intent(in) :: x ! solution vector - type(Vector), intent(inout) :: res ! residual vector - end subroutine res_interface - - subroutine jac_interface(x) - import :: Vector - type(Vector), intent(in) :: x ! solution vector - end subroutine jac_interface - end interface - -#ifdef PETSC - integer :: petsc_err ! petsc error code - -! Checks for PETSc version to handle 3.5 changes -# if (PETSC_VERSION_MAJOR == 3) && (PETSC_VERSION_MINOR > 4) -# define PETSC_GREATER_34 -# endif -#endif - -contains - -#ifdef PETSC -!=============================================================================== -! PETSC_GMRES_CREATE sets up a PETSc GMRES solver -!=============================================================================== - - subroutine petsc_gmres_create(self) - - class(GMRESSolver), intent(inout) :: self ! GMRES solver instance - - integer :: ilu_levels = 5 - real(8) :: rtol = 1.0e-10_8 - real(8) :: atol = 1.0e-10_8 - - call KSPCreate(PETSC_COMM_WORLD, self % ksp_, petsc_err) -#ifdef PETSC_GREATER_34 - call KSPSetTolerances(self % ksp_, rtol, atol, & - PETSC_DEFAULT_REAL, PETSC_DEFAULT_INTEGER, petsc_err) -#else - call KSPSetTolerances(self % ksp_, rtol, atol, & - PETSC_DEFAULT_DOUBLE_PRECISION, PETSC_DEFAULT_INTEGER, petsc_err) -#endif - call KSPSetType(self % ksp_, 'gmres', petsc_err) - call KSPSetInitialGuessNonzero(self % ksp_, PETSC_TRUE, petsc_err) - call KSPGetPC(self % ksp_, self % pc_, petsc_err) - call PCFactorSetLevels(self % pc_, ilu_levels, petsc_err) - call KSPSetFromOptions(self % ksp_, petsc_err) - - end subroutine petsc_gmres_create - -!=============================================================================== -! PETSC_GMRES_SET_OPER sets the matrix opetors for the GMRES solver -!=============================================================================== - - subroutine petsc_gmres_set_oper(self, prec_mat, mat_in) - - class(GMRESSolver), intent(inout) :: self ! GMRES solver instanace - type(Matrix), intent(inout) :: prec_mat ! preconditioner matrix - type(Matrix), intent(inout) :: mat_in ! coefficient matrix - -#ifdef PETSC_GREATER_34 - call KSPSetOperators(self % ksp_, mat_in % petsc_mat, prec_mat % petsc_mat, & - petsc_err) -#else - call KSPSetOperators(self % ksp_, mat_in % petsc_mat, prec_mat % petsc_mat, & - SAME_NONZERO_PATTERN, petsc_err) -#endif - call KSPSetUp(self % ksp_, petsc_err) - - end subroutine petsc_gmres_set_oper - -!=============================================================================== -! PETSC_GMRES_DESTROY frees all memory associated with the GMRES solver -!=============================================================================== - - subroutine petsc_gmres_destroy(self) - - class(GMRESSolver), intent(inout) :: self ! GMRES solver instance - - call KSPDestroy(self % ksp_, petsc_err) - - end subroutine petsc_gmres_destroy - -!=============================================================================== -! PETSC_GMRES_SOLVE solves the linear system -!=============================================================================== - - subroutine petsc_gmres_solve(self, b, x) - - class(GMRESSolver), intent(inout) :: self ! GMRES solver instance - type(Vector), intent(inout) :: b ! right hand side vector - type(Vector), intent(inout) :: x ! solution vector - - call KSPSolve(self % ksp_, b % petsc_vec, x % petsc_vec, petsc_err) - - end subroutine petsc_gmres_solve - -!=============================================================================== -! PETSC_JFNK_CREATE sets up a JFNK solver using PETSc SNES -!=============================================================================== - - subroutine petsc_jfnk_create(self) - - class(JFNKSolver), intent(inout) :: self ! JFNK solver instance - - ! Turn on mf_operator option for matrix free jacobian - call PetscOptionsSetValue("-snes_mf_operator", "TRUE", petsc_err) - - ! Create the SNES context - call SNESCreate(PETSC_COMM_WORLD, self % snes_, petsc_err) - - ! Set up the GMRES solver - call SNESGetKSP(self % snes_, self % ksp_, petsc_err) - call KSPSetType(self % ksp_, 'gmres', petsc_err) - - ! Apply options - call SNESGetLineSearch(self % snes_, self % ls, petsc_err) - call SNESLineSearchSetType(self % ls, 'basic', petsc_err) - call SNESSetFromOptions(self % snes_, petsc_err) - - ! Set up preconditioner - call KSPGetPC(self % ksp_, self % pc_, petsc_err) - call PCSetType(self % pc_, 'ilu', petsc_err) - call PCFactorSetLevels(self % pc_, 5, petsc_err) - call PCSetFromOptions(self % pc_, petsc_err) - call KSPSetFromOptions(self % ksp_, petsc_err) - - end subroutine petsc_jfnk_create - -!=============================================================================== -! PETSC_JFNK_DESTROY frees all memory associated with JFNK solver -!=============================================================================== - - subroutine petsc_jfnk_destroy(self) - - class(JFNKSolver), intent(inout) :: self ! JFNK solver instance - - call MatDestroy(self % jac_mf, petsc_err) - call SNESDestroy(self % snes_, petsc_err) - - end subroutine petsc_jfnk_destroy - -!=============================================================================== -! PETSC_JFNK_SET_FUNCTIONS sets user functions and matrix free objects -!=============================================================================== - - subroutine petsc_jfnk_set_functions(self, ctx, res, jac_prec) - - class(JFNKSolver), intent(inout) :: self ! JFNK solver instance - type(Jfnk_ctx), intent(inout) :: ctx ! JFNK context instance - type(Vector), intent(inout) :: res ! residual vector - type(Matrix), intent(inout) :: jac_prec ! preconditioner matrix - - ! Set residual procedure - call SNESSetFunction(self % snes_, res % petsc_vec, & - petsc_jfnk_compute_residual, ctx, petsc_err) - - ! Create the matrix free jacobian - call MatCreateSNESMF(self % snes_, self % jac_mf, petsc_err) - - ! Set Jacobian procedure - call SNESSetJacobian(self % snes_, self % jac_mf, jac_prec % petsc_mat, & - petsc_jfnk_compute_jacobian, ctx, petsc_err) - - ! Set up Jacobian Lags - call SNESSetLagJacobian(self % snes_, -2, petsc_err) - call SNESSetLagPreconditioner(self % snes_, -1, petsc_err) - - end subroutine petsc_jfnk_set_functions - -!=============================================================================== -! PETSC_JFNK_SOLVE solves the nonlinear system -!=============================================================================== - - subroutine petsc_jfnk_solve(self, xvec) - - class(JFNKSolver), intent(inout) :: self ! JFNK instance - type(Vector), intent(inout) :: xvec ! solution vector - - call SNESSolve(self % snes_, PETSC_NULL_DOUBLE, xvec % petsc_vec, petsc_err) - - end subroutine petsc_jfnk_solve - -!=============================================================================== -! PETSC_JFNK_COMPUTE_RESIDUAL buffer routine to user specifed residual routine -!=============================================================================== - - subroutine petsc_jfnk_compute_residual(snes_, x, res, ctx, ierr) - - type(snes), intent(inout) :: snes_ ! PETSc SNES object - type(vec), intent(inout) :: x ! PETSc solution vector - type(vec), intent(inout) :: res ! PETSc residual vector - integer, intent(inout) :: ierr ! error code - type(Jfnk_ctx), intent(inout) :: ctx ! JFNK context instance - - type(Vector) :: xvec ! solution vector - type(Vector) :: resvec ! residual vector - - ! We need to use the x and res that come from PETSc because the pointer - ! location changes and therefore we can not use module variables - ! for the residual and x vectors here - - ! Need to point an OpenMC vector to PETSc vector - call VecGetArrayF90(x, xvec % val, ierr) - call VecGetArrayF90(res, resvec % val, ierr) - - ! Call user residual routine - call ctx % res_proc_ptr(xvec, resvec) - - ! Need to restore the PETSc vector - call VecRestoreArrayF90(x, xvec % val, ierr) - call VecRestoreArrayF90(res, resvec % val, ierr) - - end subroutine petsc_jfnk_compute_residual - -!=============================================================================== -! PETSC_JFNK_COMPUTE_JACOBIAN buffer routine to user specified jacobian routine -!=============================================================================== - -#ifdef PETSC_GREATER_34 - subroutine petsc_jfnk_compute_jacobian(snes_, x, jac_mf, jac_prec, & - ctx, ierr) -#else - subroutine petsc_jfnk_compute_jacobian(snes_, x, jac_mf, jac_prec, flag, & - ctx, ierr) -#endif - - type(snes), intent(inout) :: snes_ ! PETSc snes instance - type(vec), intent(inout) :: x ! PETSc solution vector - type(mat), intent(inout) :: jac_mf ! PETSc matrix free jacobian - type(mat), intent(inout) :: jac_prec ! PETSc matrix jacobian precond. - type(Jfnk_ctx), intent(inout) :: ctx ! JFNK context instance - integer, intent(inout) :: ierr ! error code - -#ifndef PETSC_GREATER_34 - integer, intent(inout) :: flag ! unused madatory flag -#endif - - type(Vector) :: xvec ! solution vector - - ! Again, we use the vector that comes from Petsc to build the Jacobian - ! matrix - - ! Need to point OpenMC vector to PETSc Vector - call VecGetArrayF90(x, xvec % val, ierr) - - ! Evaluate user jacobian routine - call ctx % jac_proc_ptr(xvec) - - ! Restore the PETSc vector - call VecRestoreArrayF90(x, xvec % val, ierr) - - call MatAssemblyBegin(jac_mf, MAT_FINAL_ASSEMBLY, petsc_err) - call MatAssemblyEnd(jac_mf, MAT_FINAL_ASSEMBLY, petsc_err) - - end subroutine petsc_jfnk_compute_jacobian -#endif - -end module solver_interface diff --git a/src/source.F90 b/src/source.F90 index 3a12a3f718..7cfdcf655c 100644 --- a/src/source.F90 +++ b/src/source.F90 @@ -14,7 +14,7 @@ module source use string, only: to_str #ifdef MPI - use mpi + use message_passing #endif implicit none @@ -132,8 +132,8 @@ contains site % xyz = p_min + r*(p_max - p_min) ! Fill p with needed data - p % coord0 % xyz = site % xyz - p % coord0 % uvw = [ ONE, ZERO, ZERO ] + p % coord(1) % xyz = site % xyz + p % coord(1) % uvw = [ ONE, ZERO, ZERO ] ! Now search to see if location exists in geometry call find_cell(p, found) @@ -161,8 +161,8 @@ contains site % xyz = p_min + r*(p_max - p_min) ! Fill p with needed data - p % coord0 % xyz = site % xyz - p % coord0 % uvw = [ ONE, ZERO, ZERO ] + p % coord(1) % xyz = site % xyz + p % coord(1) % uvw = [ ONE, ZERO, ZERO ] ! Now search to see if location exists in geometry call find_cell(p, found) @@ -256,8 +256,7 @@ contains integer(8) :: particle_seed ! unique index for particle integer :: i - type(Bank), pointer, save :: src => null() -!$omp threadprivate(src) + type(Bank), pointer :: src ! set defaults call p % initialize() @@ -307,8 +306,8 @@ contains ! copy attributes from source bank site p % wgt = src % wgt p % last_wgt = src % wgt - p % coord % xyz = src % xyz - p % coord % uvw = src % uvw + p % coord(1) % xyz = src % xyz + p % coord(1) % uvw = src % uvw p % last_xyz = src % xyz p % last_uvw = src % uvw p % E = src % E diff --git a/src/state_point.F90 b/src/state_point.F90 index b39bda74de..6b983231f6 100644 --- a/src/state_point.F90 +++ b/src/state_point.F90 @@ -19,9 +19,11 @@ module state_point use string, only: to_str, zero_padded, count_digits use output_interface use tally_header, only: TallyObject + use mesh_header, only: StructuredMesh + use dict_header, only: ElemKeyValueII, ElemKeyValueCI #ifdef MPI - use mpi + use message_passing #endif implicit none @@ -36,15 +38,21 @@ contains subroutine write_state_point() - character(MAX_FILE_LEN) :: filename - integer :: i - integer :: j - integer, allocatable :: temp_array(:) - type(TallyObject), pointer :: t => null() + character(MAX_FILE_LEN) :: filename + integer :: i, j, k + integer, allocatable :: id_array(:) + integer, allocatable :: key_array(:) + type(StructuredMesh), pointer :: mesh + type(TallyObject), pointer :: tally + type(ElemKeyValueII), pointer :: current + type(ElemKeyValueII), pointer :: next + character(8) :: moment_name ! name of moment (e.g, P3) + integer :: n_order ! loop index for moment orders + integer :: nm_order ! loop index for Ynm moment orders ! Set filename for state point filename = trim(path_output) // 'statepoint.' // & - & zero_padded(current_batch, count_digits(n_batches)) + & zero_padded(current_batch, count_digits(n_max_batches)) ! Append appropriate extension #ifdef HDF5 @@ -83,17 +91,26 @@ contains ! Write run information call sp % write_data(run_mode, "run_mode") call sp % write_data(n_particles, "n_particles") + call sp % write_data(n_batches, "n_batches") ! Write out current batch number call sp % write_data(current_batch, "current_batch") + ! Indicate whether source bank is stored in statepoint + if (source_separate) then + call sp % write_data(0, "source_present") + else + call sp % write_data(1, "source_present") + end if + ! Write out information for eigenvalue run if (run_mode == MODE_EIGENVALUE) then call sp % write_data(n_inactive, "n_inactive") call sp % write_data(gen_per_batch, "gen_per_batch") call sp % write_data(k_generation, "k_generation", & length=current_batch*gen_per_batch) - call sp % write_data(entropy, "entropy", length=current_batch*gen_per_batch) + call sp % write_data(entropy, "entropy", & + length=current_batch*gen_per_batch) call sp % write_data(k_col_abs, "k_col_abs") call sp % write_data(k_col_tra, "k_col_tra") call sp % write_data(k_abs_tra, "k_abs_tra") @@ -101,6 +118,10 @@ contains ! Write out CMFD info if (cmfd_on) then +#ifdef HDF5 + call sp % open_group("cmfd") + call sp % close_group() +#endif call sp % write_data(1, "cmfd_on") call sp % write_data(cmfd % indices, "indices", length=4, group="cmfd") call sp % write_data(cmfd % k_cmfd, "k_cmfd", length=current_batch, & @@ -110,7 +131,7 @@ contains cmfd % indices(2), cmfd % indices(3)/), & group="cmfd") call sp % write_data(cmfd % entropy, "cmfd_entropy", & - length=current_batch, group="cmfd") + length=current_batch, group="cmfd") call sp % write_data(cmfd % balance, "cmfd_balance", & length=current_batch, group="cmfd") call sp % write_data(cmfd % dom, "cmfd_dominance", & @@ -122,119 +143,202 @@ contains end if end if - ! Write number of meshes - call sp % write_data(n_meshes, "n_meshes", group="tallies") +#ifdef HDF5 + call sp % open_group("tallies") + call sp % close_group() +#endif - ! Write information for meshes - MESH_LOOP: do i = 1, n_meshes - call sp % write_data(meshes(i) % id, "id", & - group="tallies/mesh" // to_str(i)) - call sp % write_data(meshes(i) % type, "type", & - group="tallies/mesh" // to_str(i)) - call sp % write_data(meshes(i) % n_dimension, "n_dimension", & - group="tallies/mesh" // to_str(i)) - call sp % write_data(meshes(i) % dimension, "dimension", & - group="tallies/mesh" // to_str(i), & - length=meshes(i) % n_dimension) - call sp % write_data(meshes(i) % lower_left, "lower_left", & - group="tallies/mesh" // to_str(i), & - length=meshes(i) % n_dimension) - call sp % write_data(meshes(i) % upper_right, "upper_right", & - group="tallies/mesh" // to_str(i), & - length=meshes(i) % n_dimension) - call sp % write_data(meshes(i) % width, "width", & - group="tallies/mesh" // to_str(i), & - length=meshes(i) % n_dimension) - end do MESH_LOOP + ! Write number of meshes + call sp % write_data(n_meshes, "n_meshes", group="tallies/meshes") + + if (n_meshes > 0) then + + ! Print list of mesh IDs + current => mesh_dict % keys() + + allocate(id_array(n_meshes)) + allocate(key_array(n_meshes)) + i = 1 + + do while (associated(current)) + key_array(i) = current % key + id_array(i) = current % value + + ! Move to next mesh + next => current % next + deallocate(current) + current => next + i = i + 1 + end do + + call sp % write_data(id_array, "ids", & + group="tallies/meshes", length=n_meshes) + call sp % write_data(key_array, "keys", & + group="tallies/meshes", length=n_meshes) + + deallocate(key_array) + + ! Write information for meshes + MESH_LOOP: do i = 1, n_meshes + + mesh => meshes(id_array(i)) + + call sp % write_data(mesh % id, "id", & + group="tallies/meshes/mesh " // trim(to_str(mesh % id))) + call sp % write_data(mesh % type, "type", & + group="tallies/meshes/mesh " // trim(to_str(mesh % id))) + call sp % write_data(mesh % n_dimension, "n_dimension", & + group="tallies/meshes/mesh " // trim(to_str(mesh % id))) + call sp % write_data(mesh % dimension, "dimension", & + group="tallies/meshes/mesh " // trim(to_str(mesh % id)), & + length=mesh % n_dimension) + call sp % write_data(mesh % lower_left, "lower_left", & + group="tallies/meshes/mesh " // trim(to_str(mesh % id)), & + length=mesh % n_dimension) + call sp % write_data(mesh % upper_right, "upper_right", & + group="tallies/meshes/mesh " // trim(to_str(mesh % id)), & + length=mesh % n_dimension) + call sp % write_data(mesh % width, "width", & + group="tallies/meshes/mesh " // trim(to_str(mesh % id)), & + length=mesh % n_dimension) + end do MESH_LOOP + + deallocate(id_array) + + end if ! Write number of tallies call sp % write_data(n_tallies, "n_tallies", group="tallies") - ! Write all tally information except results - TALLY_METADATA: do i = 1, n_tallies - !Get pointer to tally - t => tallies(i) + if (n_tallies > 0) then - ! Write id - call sp % write_data(t % id, "id", group="tallies/tally" // to_str(i)) + ! Print list of tally IDs + allocate(id_array(n_tallies)) + allocate(key_array(n_tallies)) - ! Write number of realizations - call sp % write_data(t % n_realizations, "n_realizations", & - group="tallies/tally" // to_str(i)) + ! Write all tally information except results + do i = 1, n_tallies + tally => tallies(i) + key_array(i) = tally % id + id_array(i) = i + end do - ! Write size of each tally - call sp % write_data(t % total_score_bins, "total_score_bins", & - group="tallies/tally" // to_str(i)) - call sp % write_data(t % total_filter_bins, "total_filter_bins", & - group="tallies/tally" // to_str(i)) + call sp % write_data(id_array, "ids", & + group="tallies", length=n_tallies) + call sp % write_data(key_array, "keys", & + group="tallies", length=n_tallies) - ! Write number of filters - call sp % write_data(t % n_filters, "n_filters", & - group="tallies/tally" // to_str(i)) + deallocate(key_array) - ! Write filter information - FILTER_LOOP: do j = 1, t % n_filters + ! Write all tally information except results + TALLY_METADATA: do i = 1, n_tallies - ! Write type of filter - call sp % write_data(t % filters(j) % type, "type", & - group="tallies/tally" // trim(to_str(i)) // "/filter" // to_str(j)) + ! Get pointer to tally + tally => tallies(i) - ! Write number of bins for this filter - call sp % write_data(t % filters(j) % n_bins, "n_bins", & - group="tallies/tally" // trim(to_str(i)) // "/filter" // to_str(j)) + call sp % write_data(tally % estimator, "estimator", & + group="tallies/tally " // trim(to_str(tally % id))) + call sp % write_data(tally % n_realizations, "n_realizations", & + group="tallies/tally " // trim(to_str(tally % id))) + call sp % write_data(tally % n_filters, "n_filters", & + group="tallies/tally " // trim(to_str(tally % id))) - ! Write bins - if (t % filters(j) % type == FILTER_ENERGYIN .or. & - t % filters(j) % type == FILTER_ENERGYOUT) then - call sp % write_data(t % filters(j) % real_bins, "bins", & - group="tallies/tally" // trim(to_str(i)) // "/filter" // to_str(j), & - length=size(t % filters(j) % real_bins)) - else - call sp % write_data(t % filters(j) % int_bins, "bins", & - group="tallies/tally" // trim(to_str(i)) // "/filter" // to_str(j), & - length=size(t % filters(j) % int_bins)) - end if + ! Write filter information + FILTER_LOOP: do j = 1, tally % n_filters - end do FILTER_LOOP + call sp % write_data(tally % filters(j) % type, "type", & + group="tallies/tally " // trim(to_str(tally % id)) // & + "/filter " // to_str(j)) + call sp % write_data(tally % filters(j) % offset, "offset", & + group="tallies/tally " // trim(to_str(tally % id)) // & + "/filter " // to_str(j)) + call sp % write_data(tally % filters(j) % n_bins, "n_bins", & + group="tallies/tally " // trim(to_str(tally % id)) // & + "/filter " // to_str(j)) + if (tally % filters(j) % type == FILTER_ENERGYIN .or. & + tally % filters(j) % type == FILTER_ENERGYOUT) then + call sp % write_data(tally % filters(j) % real_bins, "bins", & + group="tallies/tally " // trim(to_str(tally % id)) // & + "/filter " // to_str(j), & + length=size(tally % filters(j) % real_bins)) + else + call sp % write_data(tally % filters(j) % int_bins, "bins", & + group="tallies/tally " // trim(to_str(tally % id)) // & + "/filter " // to_str(j), & + length=size(tally % filters(j) % int_bins)) + end if - ! Write number of nuclide bins - call sp % write_data(t % n_nuclide_bins, "n_nuclide_bins", & - group="tallies/tally" // to_str(i)) + end do FILTER_LOOP - ! Set up nuclide bin array and then write - allocate(temp_array(t % n_nuclide_bins)) - NUCLIDE_LOOP: do j = 1, t % n_nuclide_bins - if (t % nuclide_bins(j) > 0) then - temp_array(j) = nuclides(t % nuclide_bins(j)) % zaid - else - temp_array(j) = t % nuclide_bins(j) - end if - end do NUCLIDE_LOOP - call sp % write_data(temp_array, "nuclide_bins", & - group="tallies/tally" // to_str(i), length=t % n_nuclide_bins) - deallocate(temp_array) + call sp % write_data(tally % n_nuclide_bins, "n_nuclides", & + group="tallies/tally " // trim(to_str(tally % id))) - ! Write number of score bins, score bins, and moment order - call sp % write_data(t % n_score_bins, "n_score_bins", & - group="tallies/tally" // to_str(i)) - call sp % write_data(t % score_bins, "score_bins", & - group="tallies/tally" // to_str(i), length=t % n_score_bins) - call sp % write_data(t % moment_order, "moment_order", & - group="tallies/tally" // to_str(i), length=t % n_score_bins) + ! Set up nuclide bin array and then write + allocate(key_array(tally % n_nuclide_bins)) + NUCLIDE_LOOP: do j = 1, tally % n_nuclide_bins + if (tally % nuclide_bins(j) > 0) then + key_array(j) = nuclides(tally % nuclide_bins(j)) % zaid + else + key_array(j) = tally % nuclide_bins(j) + end if + end do NUCLIDE_LOOP + call sp % write_data(key_array, "nuclides", & + group="tallies/tally " // trim(to_str(tally % id)), & + length=tally % n_nuclide_bins) + deallocate(key_array) - ! Write number of user score bins - call sp % write_data(t % n_user_score_bins, "n_user_score_bins", & - group="tallies/tally" // to_str(i)) + call sp % write_data(tally % n_score_bins, "n_score_bins", & + group="tallies/tally " // trim(to_str(tally % id))) + call sp % write_data(tally % score_bins, "score_bins", & + group="tallies/tally " // trim(to_str(tally % id)), & + length=tally % n_score_bins) + call sp % write_data(tally % n_user_score_bins, "n_user_score_bins", & + group="tallies/tally " // to_str(tally % id)) - end do TALLY_METADATA + ! Write explicit moment order strings for each score bin + k = 1 + MOMENT_LOOP: do j = 1, tally % n_user_score_bins + select case(tally % score_bins(k)) + case (SCORE_SCATTER_N, SCORE_NU_SCATTER_N) + moment_name = 'P' // trim(to_str(tally % moment_order(k))) + call sp % write_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(tally % id)) // & + "/moments") + k = k + 1 + case (SCORE_SCATTER_PN, SCORE_NU_SCATTER_PN) + do n_order = 0, tally % moment_order(k) + moment_name = 'P' // trim(to_str(n_order)) + call sp % write_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(tally % id)) // & + "/moments") + k = k + 1 + end do + case (SCORE_SCATTER_YN, SCORE_NU_SCATTER_YN, SCORE_FLUX_YN, & + SCORE_TOTAL_YN) + do n_order = 0, tally % moment_order(k) + do nm_order = -n_order, n_order + moment_name = 'Y' // trim(to_str(n_order)) // ',' // & + trim(to_str(nm_order)) + call sp % write_data(moment_name, "order" // & + trim(to_str(k)), & + group="tallies/tally " // trim(to_str(tally % id)) // & + "/moments") + k = k + 1 + end do + end do + case default + moment_name = '' + call sp % write_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(tally % id)) // & + "/moments") + k = k + 1 + end select + + end do MOMENT_LOOP + + end do TALLY_METADATA - ! Indicate where source bank is stored in statepoint - if (source_separate) then - call sp % write_data(0, "source_present") - else - call sp % write_data(1, "source_present") end if - end if ! Check for the no-tally-reduction method @@ -264,12 +368,12 @@ contains TALLY_RESULTS: do i = 1, n_tallies ! Set point to current tally - t => tallies(i) + tally => tallies(i) ! Write sum and sum_sq for each bin - call sp % write_tally_result(t % results, "results", & - group="tallies/tally" // to_str(i), & - n1=size(t % results, 1), n2=size(t % results, 2)) + call sp % write_tally_result(tally % results, "results", & + group="tallies/tally " // trim(to_str(tally % id)), & + n1=size(tally % results, 1), n2=size(tally % results, 2)) end do TALLY_RESULTS @@ -285,6 +389,10 @@ contains end if + if (master .and. n_tallies > 0) then + deallocate(id_array) + end if + end subroutine write_state_point !=============================================================================== @@ -304,7 +412,7 @@ contains ! Set filename filename = trim(path_output) // 'source.' // & - & zero_padded(current_batch, count_digits(n_batches)) + & zero_padded(current_batch, count_digits(n_max_batches)) #ifdef HDF5 filename = trim(filename) // '.h5' @@ -326,7 +434,7 @@ contains ! Set filename for state point filename = trim(path_output) // 'statepoint.' // & - & zero_padded(current_batch, count_digits(n_batches)) + & zero_padded(current_batch, count_digits(n_max_batches)) #ifdef HDF5 filename = trim(filename) // '.h5' #else @@ -391,7 +499,10 @@ contains #ifdef MPI real(8) :: dummy ! temporary receive buffer for non-root reduces #endif - type(TallyObject), pointer :: t => null() + integer, allocatable :: id_array(:) + type(ElemKeyValueII), pointer :: current + type(ElemKeyValueII), pointer :: next + type(TallyObject), pointer :: tally type(TallyResult), allocatable :: tallyresult_temp(:,:) ! ========================================================================== @@ -419,7 +530,7 @@ contains #endif ! Transfer values to value on master - if (current_batch == n_batches) then + if (current_batch == n_max_batches .or. satisfy_triggers) then global_tallies(:) % sum = global_temp(1,:) global_tallies(:) % sum_sq = global_temp(2,:) end if @@ -448,22 +559,38 @@ contains ! Indicate that tallies are on if (master) then call sp % write_data(1, "tallies_present", group="tallies") + + ! Build list of tally IDs + current => tally_dict % keys() + allocate(id_array(n_tallies)) + i = 1 + + do while (associated(current)) + id_array(i) = current % value + ! Move to next tally + next => current % next + deallocate(current) + current => next + i = i + 1 + end do + end if ! Write all tally results TALLY_RESULTS: do i = 1, n_tallies - t => tallies(i) + + tally => tallies(i) ! Determine size of tally results array - m = size(t % results, 1) - n = size(t % results, 2) + m = size(tally % results, 1) + n = size(tally % results, 2) n_bins = m*n*2 ! Allocate array for storing sums and sums of squares, but ! contiguously in memory for each allocate(tally_temp(2,m,n)) - tally_temp(1,:,:) = t % results(:,:) % sum - tally_temp(2,:,:) = t % results(:,:) % sum_sq + tally_temp(1,:,:) = tally % results(:,:) % sum + tally_temp(2,:,:) = tally % results(:,:) % sum_sq if (master) then ! The MPI_IN_PLACE specifier allows the master to copy values into @@ -472,21 +599,22 @@ contains call MPI_REDUCE(MPI_IN_PLACE, tally_temp, n_bins, MPI_REAL8, & MPI_SUM, 0, MPI_COMM_WORLD, mpi_err) #endif + ! At the end of the simulation, store the results back in the ! regular TallyResults array - if (current_batch == n_batches) then - t % results(:,:) % sum = tally_temp(1,:,:) - t % results(:,:) % sum_sq = tally_temp(2,:,:) + if (current_batch == n_max_batches .or. satisfy_triggers) then + tally % results(:,:) % sum = tally_temp(1,:,:) + tally % results(:,:) % sum_sq = tally_temp(2,:,:) end if - ! Put in temporary tally result - allocate(tallyresult_temp(m,n)) - tallyresult_temp(:,:) % sum = tally_temp(1,:,:) - tallyresult_temp(:,:) % sum_sq = tally_temp(2,:,:) + ! Put in temporary tally result + allocate(tallyresult_temp(m,n)) + tallyresult_temp(:,:) % sum = tally_temp(1,:,:) + tallyresult_temp(:,:) % sum_sq = tally_temp(2,:,:) - ! Write reduced tally results to file - call sp % write_tally_result(t % results, "results", & - group="tallies/tally" // to_str(i), n1=m, n2=n) + ! Write reduced tally results to file + call sp % write_tally_result(tally % results, "results", & + group="tallies/tally " // trim(to_str(tally % id)), n1=m, n2=n) ! Deallocate temporary tally result deallocate(tallyresult_temp) @@ -501,6 +629,9 @@ contains ! Deallocate temporary copy of tally results deallocate(tally_temp) end do TALLY_RESULTS + + deallocate(id_array) + else if (master) then ! Indicate that tallies are off @@ -516,16 +647,22 @@ contains subroutine load_state_point() - character(MAX_FILE_LEN) :: path_temp - character(19) :: current_time - integer :: i - integer :: j - integer :: length(4) - integer :: int_array(3) - integer, allocatable :: temp_array(:) - logical :: source_present - real(8) :: real_array(3) - type(TallyObject), pointer :: t => null() + character(MAX_FILE_LEN) :: path_temp + character(19) :: current_time + integer :: i, j, k + integer :: length(4) + integer :: int_array(3) + integer, allocatable :: id_array(:) + integer, allocatable :: key_array(:) + integer :: curr_key + integer, allocatable :: temp_array(:) + logical :: source_present + real(8) :: real_array(3) + type(StructuredMesh), pointer :: mesh + type(TallyObject), pointer :: tally + integer :: n_order ! loop index for moment orders + integer :: nm_order ! loop index for Ynm moment orders + character(8) :: moment_name ! name of moment (e.g, P3, Y-1,1) ! Write message call write_message("Loading state point " // trim(path_state_point) & @@ -550,7 +687,7 @@ contains call sp % read_data(int_array(2), "version_minor") call sp % read_data(int_array(3), "version_release") if (int_array(1) /= VERSION_MAJOR .or. int_array(2) /= VERSION_MINOR & - .or. int_array(3) /= VERSION_RELEASE) then + .or. int_array(3) /= VERSION_RELEASE) then if (master) call warning("State point file was created with a different & &version of OpenMC.") end if @@ -567,10 +704,22 @@ contains ! Read and overwrite run information except number of batches call sp % read_data(run_mode, "run_mode") call sp % read_data(n_particles, "n_particles") + call sp % read_data(int_array(1), "n_batches") + + ! Take maximum of statepoint n_batches and input n_batches + n_batches = max(n_batches, int_array(1)) ! Read batch number to restart at call sp % read_data(restart_batch, "current_batch") + ! Check for source in statepoint if needed + call sp % read_data(int_array(1), "source_present") + if (int_array(1) == 1) then + source_present = .true. + else + source_present = .false. + end if + if (restart_batch > n_batches) then call fatal_error("The number batches specified in settings.xml is fewer & & than the number of batches in the given statepoint file.") @@ -594,7 +743,7 @@ contains ! Read in to see if CMFD was on call sp % read_data(int_array(1), "cmfd_on") - ! Write out CMFD info + ! Read in CMFD info if (int_array(1) == 1) then call sp % read_data(cmfd % indices, "indices", length=4, group="cmfd") call sp % read_data(cmfd % k_cmfd, "k_cmfd", length=restart_batch, & @@ -603,7 +752,7 @@ contains call sp % read_data(cmfd % cmfd_src, "cmfd_src", & length=length, group="cmfd") call sp % read_data(cmfd % entropy, "cmfd_entropy", & - length=restart_batch, group="cmfd") + length=restart_batch, group="cmfd") call sp % read_data(cmfd % balance, "cmfd_balance", & length=restart_batch, group="cmfd") call sp % read_data(cmfd % dom, "cmfd_dominance", & @@ -614,127 +763,162 @@ contains end if ! Read number of meshes - call sp % read_data(n_meshes, "n_meshes", group="tallies") + call sp % read_data(n_meshes, "n_meshes", group="tallies/meshes") - ! Read and overwrite mesh information - MESH_LOOP: do i = 1, n_meshes - call sp % read_data(meshes(i) % id, "id", & - group="tallies/mesh" // to_str(i)) - call sp % read_data(meshes(i) % type, "type", & - group="tallies/mesh" // to_str(i)) - call sp % read_data(meshes(i) % n_dimension, "n_dimension", & - group="tallies/mesh" // to_str(i)) - call sp % read_data(meshes(i) % dimension, "dimension", & - group="tallies/mesh" // to_str(i), & - length=meshes(i) % n_dimension) - call sp % read_data(meshes(i) % lower_left, "lower_left", & - group="tallies/mesh" // to_str(i), & - length=meshes(i) % n_dimension) - call sp % read_data(meshes(i) % upper_right, "upper_right", & - group="tallies/mesh" // to_str(i), & - length=meshes(i) % n_dimension) - call sp % read_data(meshes(i) % width, "width", & - group="tallies/mesh" // to_str(i), & - length=meshes(i) % n_dimension) - end do MESH_LOOP + if (n_meshes > 0) then + + ! Read list of mesh keys-> IDs + allocate(id_array(n_meshes)) + allocate(key_array(n_meshes)) + + call sp % read_data(id_array, "ids", & + group="tallies/meshes", length=n_meshes) + call sp % read_data(key_array, "keys", & + group="tallies/meshes", length=n_meshes) + + ! Read and overwrite mesh information + MESH_LOOP: do i = 1, n_meshes + + mesh => meshes(id_array(i)) + curr_key = key_array(id_array(i)) + + call sp % read_data(mesh % id, "id", & + group="tallies/meshes/mesh " // trim(to_str(curr_key))) + call sp % read_data(mesh % type, "type", & + group="tallies/meshes/mesh " // trim(to_str(curr_key))) + call sp % read_data(mesh % n_dimension, "n_dimension", & + group="tallies/meshes/mesh " // trim(to_str(meshes(i) % id))) + call sp % read_data(mesh % dimension, "dimension", & + group="tallies/meshes/mesh " // trim(to_str(curr_key)), & + length=mesh % n_dimension) + call sp % read_data(mesh % lower_left, "lower_left", & + group="tallies/meshes/mesh " // trim(to_str(curr_key)), & + length=mesh % n_dimension) + call sp % read_data(mesh % upper_right, "upper_right", & + group="tallies/meshes/mesh " // trim(to_str(curr_key)), & + length=mesh % n_dimension) + call sp % read_data(mesh % width, "width", & + group="tallies/meshes/mesh " // trim(to_str(curr_key)), & + length=meshes(i) % n_dimension) + + end do MESH_LOOP + + deallocate(id_array) + deallocate(key_array) + + end if ! Read and overwrite number of tallies call sp % read_data(n_tallies, "n_tallies", group="tallies") + ! Read list of tally keys-> IDs + allocate(id_array(n_tallies)) + allocate(key_array(n_tallies)) + + call sp % read_data(id_array, "ids", group="tallies", length=n_tallies) + call sp % read_data(key_array, "keys", group="tallies", length=n_tallies) + ! Read in tally metadata TALLY_METADATA: do i = 1, n_tallies ! Get pointer to tally - t => tallies(i) + tally => tallies(i) + curr_key = key_array(id_array(i)) - ! Read tally id - call sp % read_data(t % id, "id", group="tallies/tally" // to_str(i)) + call sp % read_data(tally % estimator, "estimator", & + group="tallies/tally " // trim(to_str(curr_key))) + call sp % read_data(tally % n_realizations, "n_realizations", & + group="tallies/tally " // trim(to_str(curr_key))) + call sp % read_data(tally % n_filters, "n_filters", & + group="tallies/tally " // trim(to_str(curr_key))) - ! Read number of realizations - call sp % read_data(t % n_realizations, "n_realizations", & - group="tallies/tally" // to_str(i)) - - ! Read size of tally results - call sp % read_data(int_array(1), "total_score_bins", & - group="tallies/tally" // to_str(i)) - call sp % read_data(int_array(2), "total_filter_bins", & - group="tallies/tally" // to_str(i)) - - ! Check size of tally results array - if (int_array(1) /= t % total_score_bins .and. & - int_array(2) /= t % total_filter_bins) then - call fatal_error("Input file tally structure is different from & - &restart.") - end if - - ! Read number of filters - call sp % read_data(t % n_filters, "n_filters", & - group="tallies/tally" // to_str(i)) - - ! Read filter information - FILTER_LOOP: do j = 1, t % n_filters - - ! Read type of filter - call sp % read_data(t % filters(j) % type, "type", & - group="tallies/tally" // trim(to_str(i)) // "/filter" // to_str(j)) - - ! Read number of bins for this filter - call sp % read_data(t % filters(j) % n_bins, "n_bins", & - group="tallies/tally" // trim(to_str(i)) // "/filter" // to_str(j)) - - ! Read bins - if (t % filters(j) % type == FILTER_ENERGYIN .or. & - t % filters(j) % type == FILTER_ENERGYOUT) then - call sp % read_data(t % filters(j) % real_bins, "bins", & - group="tallies/tally" // trim(to_str(i)) // "/filter" // to_str(j), & - length=size(t % filters(j) % real_bins)) + FILTER_LOOP: do j = 1, tally % n_filters + call sp % read_data(tally % filters(j) % type, "type", & + group="tallies/tally " // trim(to_str(curr_key)) // & + "/filter " // to_str(j)) + call sp % read_data(tally % filters(j) % offset, "offset", & + group="tallies/tally " // trim(to_str(curr_key)) // & + "/filter " // to_str(j)) + call sp % read_data(tally % filters(j) % n_bins, "n_bins", & + group="tallies/tally " // trim(to_str(curr_key)) // & + "/filter " // to_str(j)) + if (tally % filters(j) % type == FILTER_ENERGYIN .or. & + tally % filters(j) % type == FILTER_ENERGYOUT) then + call sp % read_data(tally % filters(j) % real_bins, "bins", & + group="tallies/tally " // trim(to_str(curr_key)) // & + "/filter " // to_str(j), & + length=size(tally % filters(j) % real_bins)) else - call sp % read_data(t % filters(j) % int_bins, "bins", & - group="tallies/tally" // trim(to_str(i)) // "/filter" // to_str(j), & - length=size(t % filters(j) % int_bins)) + call sp % read_data(tally % filters(j) % int_bins, "bins", & + group="tallies/tally " // trim(to_str(curr_key)) // & + "/filter " // to_str(j), & + length=size(tally % filters(j) % int_bins)) end if end do FILTER_LOOP - ! Read number of nuclide bins - call sp % read_data(t % n_nuclide_bins, "n_nuclide_bins", & - group="tallies/tally" // to_str(i)) + call sp % read_data(tally % n_nuclide_bins, "n_nuclides", & + group="tallies/tally " // trim(to_str(curr_key))) - ! Set up nuclide bin array and then write - allocate(temp_array(t % n_nuclide_bins)) - call sp % read_data(temp_array, "nuclide_bins", & - group="tallies/tally" // to_str(i), length=t % n_nuclide_bins) - NUCLIDE_LOOP: do j = 1, t % n_nuclide_bins + ! Set up nuclide bin array and then read + allocate(temp_array(tally % n_nuclide_bins)) + call sp % read_data(temp_array, "nuclides", & + group="tallies/tally " // trim(to_str(curr_key)), & + length=tally % n_nuclide_bins) + + NUCLIDE_LOOP: do j = 1, tally % n_nuclide_bins if (temp_array(j) > 0) then - nuclides(t % nuclide_bins(j)) % zaid = temp_array(j) + tally % nuclide_bins(j) = temp_array(j) else - t % nuclide_bins(j) = temp_array(j) + tally % nuclide_bins(j) = temp_array(j) end if end do NUCLIDE_LOOP + deallocate(temp_array) - ! Write number of score bins, score bins, and scatt order - call sp % read_data(t % n_score_bins, "n_score_bins", & - group="tallies/tally" // to_str(i)) - call sp % read_data(t % score_bins, "score_bins", & - group="tallies/tally" // to_str(i), length=t % n_score_bins) - call sp % read_data(t % moment_order, "moment_order", & - group="tallies/tally" // to_str(i), length=t % n_score_bins) + ! Write number of score bins, score bins, user score bins + call sp % read_data(tally % n_score_bins, "n_score_bins", & + group="tallies/tally " // trim(to_str(curr_key))) + call sp % read_data(tally % score_bins, "score_bins", & + group="tallies/tally " // trim(to_str(curr_key)), & + length=tally % n_score_bins) + call sp % read_data(tally % n_user_score_bins, "n_user_score_bins", & + group="tallies/tally " // trim(to_str(curr_key))) - ! Write number of user score bins - call sp % read_data(t % n_user_score_bins, "n_user_score_bins", & - group="tallies/tally" // to_str(i)) + ! Read explicit moment order strings for each score bin + k = 1 + MOMENT_LOOP: do j = 1, tally % n_user_score_bins + select case(tally % score_bins(k)) + case (SCORE_SCATTER_N, SCORE_NU_SCATTER_N) + call sp % read_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(curr_key)) // "/moments") + k = k + 1 + case (SCORE_SCATTER_PN, SCORE_NU_SCATTER_PN) + do n_order = 0, tally % moment_order(k) + call sp % read_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(curr_key)) // "/moments") + k = k + 1 + end do + case (SCORE_SCATTER_YN, SCORE_NU_SCATTER_YN, SCORE_FLUX_YN, & + SCORE_TOTAL_YN) + do n_order = 0, tally % moment_order(k) + do nm_order = -n_order, n_order + call sp % read_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(curr_key)) // & + "/moments") + k = k + 1 + end do + end do + case default + call sp % read_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(curr_key)) // "/moments") + k = k + 1 + end select + + end do MOMENT_LOOP end do TALLY_METADATA - ! Check for source in statepoint if needed - call sp % read_data(int_array(1), "source_present") - if (int_array(1) == 1) then - source_present = .true. - else - source_present = .false. - end if - ! Check to make sure source bank is present if (path_source_point == path_state_point .and. .not. source_present) then call fatal_error("Source bank must be contained in statepoint restart & @@ -759,24 +943,30 @@ contains n1=N_GLOBAL_TALLIES, n2=1) ! Check if tally results are present - call sp % read_data(int_array(1), "tallies_present", group="tallies", collect=.false.) + call sp % read_data(int_array(1), "tallies_present", & + group="tallies", collect=.false.) ! Read in sum and sum squared if (int_array(1) == 1) then TALLY_RESULTS: do i = 1, n_tallies ! Set pointer to tally - t => tallies(i) + tally => tallies(i) + curr_key = key_array(id_array(i)) ! Read sum and sum_sq for each bin - call sp % read_tally_result(t % results, "results", & - group="tallies/tally" // to_str(i), & - n1=size(t % results, 1), n2=size(t % results, 2)) + call sp % read_tally_result(tally % results, "results", & + group="tallies/tally " // trim(to_str(curr_key)), & + n1=size(tally % results, 1), n2=size(tally % results, 2)) end do TALLY_RESULTS + end if end if + deallocate(id_array) + deallocate(key_array) + ! Read source if in eigenvalue mode if (run_mode == MODE_EIGENVALUE) then diff --git a/src/string.F90 b/src/string.F90 index 5071493f80..5f57bb3855 100644 --- a/src/string.F90 +++ b/src/string.F90 @@ -7,7 +7,7 @@ module string implicit none interface to_str - module procedure int4_to_str, int8_to_str, real_to_str + module procedure int4_to_str, int8_to_str, real_to_str end interface contains @@ -50,7 +50,7 @@ contains n = n + 1 if (i_end - i_start + 1 > len(words(n))) then if (master) call warning("The word '" // string(i_start:i_end) & - &// "' is longer than the space allocated for it.") + &// "' is longer than the space allocated for it.") end if words(n) = string(i_start:i_end) ! reset indices @@ -151,7 +151,7 @@ contains ! TO_LOWER converts a string to all lower case characters !=============================================================================== - elemental function to_lower(word) result(word_lower) + function to_lower(word) result(word_lower) character(*), intent(in) :: word character(len=len(word)) :: word_lower @@ -174,7 +174,7 @@ contains ! TO_UPPER converts a string to all upper case characters !=============================================================================== - elemental function to_upper(word) result(word_upper) + function to_upper(word) result(word_upper) character(*), intent(in) :: word character(len=len(word)) :: word_upper diff --git a/src/tally.F90 b/src/tally.F90 index c96f1ecd6e..e78e58f284 100644 --- a/src/tally.F90 +++ b/src/tally.F90 @@ -3,6 +3,7 @@ module tally use ace_header, only: Reaction use constants use error, only: fatal_error + use geometry_header use global use math, only: t_percentile, calc_pn, calc_rn use mesh, only: get_mesh_bin, bin_to_mesh_indices, & @@ -16,7 +17,7 @@ module tally use tally_header, only: TallyResult, TallyMapItem, TallyMapElement #ifdef MPI - use mpi + use message_passing #endif implicit none @@ -26,6 +27,515 @@ module tally contains +!=============================================================================== +! SCORE_GENERAL adds scores to the tally array for the given filter and nuclide. +! This will work for either analog or tracklength tallies. Note that +! atom_density and flux are not used for analog tallies. +!=============================================================================== + + subroutine score_general(p, t, start_index, filter_index, i_nuclide, & + atom_density, flux) + type(Particle), intent(in) :: p + type(TallyObject), pointer, intent(inout) :: t + integer, intent(in) :: start_index + integer, intent(in) :: i_nuclide + integer, intent(in) :: filter_index ! for % results + real(8), intent(in) :: flux ! flux estimate + real(8), intent(in) :: atom_density ! atom/b-cm + + integer :: i ! loop index for scoring bins + integer :: l ! loop index for nuclides in material + integer :: m ! loop index for reactions + integer :: n ! loop index for legendre order + integer :: num_nm ! Number of N,M orders in harmonic + integer :: q ! loop index for scoring bins + integer :: i_nuc ! index in nuclides array (from material) + integer :: i_energy ! index in nuclide energy grid + integer :: score_bin ! scoring bin, e.g. SCORE_FLUX + integer :: score_index ! scoring bin index + real(8) :: atom_density_ ! atom/b-cm + real(8) :: f ! interpolation factor + real(8) :: score ! analog tally score + real(8) :: macro_total ! material macro total xs + real(8) :: macro_scatt ! material macro scatt xs + real(8) :: uvw(3) ! particle direction + type(Material), pointer :: mat + type(Reaction), pointer :: rxn + + i = 0 + SCORE_LOOP: do q = 1, t % n_user_score_bins + i = i + 1 + + ! determine what type of score bin + score_bin = t % score_bins(i) + + ! determine scoring bin index + score_index = start_index + i + + !######################################################################### + ! Determine appropirate scoring value. + + select case(score_bin) + + + case (SCORE_FLUX, SCORE_FLUX_YN) + if (t % estimator == ESTIMATOR_ANALOG) then + ! All events score to a flux bin. We actually use a collision + ! estimator since there is no way to count 'events' exactly for + ! the flux + if (survival_biasing) then + ! We need to account for the fact that some weight was already + ! absorbed + score = p % last_wgt + p % absorb_wgt + else + score = p % last_wgt + end if + score = score / material_xs % total + + else if (t % estimator == ESTIMATOR_TRACKLENGTH) then + ! For flux, we need no cross section + score = flux + end if + + + case (SCORE_TOTAL, SCORE_TOTAL_YN) + if (t % estimator == ESTIMATOR_ANALOG) then + ! All events will score to the total reaction rate. We can just + ! use the weight of the particle entering the collision as the + ! score + if (survival_biasing) then + ! We need to account for the fact that some weight was already + ! absorbed + score = p % last_wgt + p % absorb_wgt + else + score = p % last_wgt + end if + + else if (t % estimator == ESTIMATOR_TRACKLENGTH) then + if (i_nuclide > 0) then + score = micro_xs(i_nuclide) % total * atom_density * flux + else + score = material_xs % total * flux + end if + end if + + + case (SCORE_SCATTER, SCORE_SCATTER_N) + if (t % estimator == ESTIMATOR_ANALOG) then + ! Skip any event where the particle didn't scatter + if (p % event /= EVENT_SCATTER) cycle SCORE_LOOP + ! Since only scattering events make it here, again we can use + ! the weight entering the collision as the estimator for the + ! reaction rate + score = p % last_wgt + + else if (t % estimator == ESTIMATOR_TRACKLENGTH) then + ! Note SCORE_SCATTER_N not available for tracklength. + if (i_nuclide > 0) then + score = (micro_xs(i_nuclide) % total & + - micro_xs(i_nuclide) % absorption) * atom_density * flux + else + score = (material_xs % total - material_xs % absorption) * flux + end if + end if + + + case (SCORE_SCATTER_PN) + ! Only analog estimators are available. + ! Skip any event where the particle didn't scatter + if (p % event /= EVENT_SCATTER) then + i = i + t % moment_order(i) + cycle SCORE_LOOP + end if + ! Since only scattering events make it here, again we can use + ! the weight entering the collision as the estimator for the + ! reaction rate + score = p % last_wgt + + + case (SCORE_SCATTER_YN) + ! Only analog estimators are available. + ! Skip any event where the particle didn't scatter + if (p % event /= EVENT_SCATTER) then + i = i + (t % moment_order(i) + 1)**2 - 1 + cycle SCORE_LOOP + end if + ! Since only scattering events make it here, again we can use + ! the weight entering the collision as the estimator for the + ! reaction rate + score = p % last_wgt + + + case (SCORE_NU_SCATTER, SCORE_NU_SCATTER_N) + ! Only analog estimators are available. + ! Skip any event where the particle didn't scatter + if (p % event /= EVENT_SCATTER) cycle SCORE_LOOP + ! For scattering production, we need to use the post-collision + ! weight as the estimate for the number of neutrons exiting a + ! reaction with neutrons in the exit channel + score = p % wgt + + + case (SCORE_NU_SCATTER_PN) + ! Only analog estimators are available. + ! Skip any event where the particle didn't scatter + if (p % event /= EVENT_SCATTER) then + i = i + t % moment_order(i) + cycle SCORE_LOOP + end if + ! For scattering production, we need to use the post-collision + ! weight as the estimate for the number of neutrons exiting a + ! reaction with neutrons in the exit channel + score = p % wgt + + + case (SCORE_NU_SCATTER_YN) + ! Only analog estimators are available. + ! Skip any event where the particle didn't scatter + if (p % event /= EVENT_SCATTER) then + i = i + (t % moment_order(i) + 1)**2 - 1 + cycle SCORE_LOOP + end if + ! For scattering production, we need to use the post-collision + ! weight as the estimate for the number of neutrons exiting a + ! reaction with neutrons in the exit channel + score = p % wgt + + + case (SCORE_TRANSPORT) + ! Only analog estimators are available. + ! Skip any event where the particle didn't scatter + if (p % event /= EVENT_SCATTER) cycle SCORE_LOOP + ! get material macros + macro_total = material_xs % total + macro_scatt = material_xs % total - material_xs % absorption + ! Score total rate - p1 scatter rate Note estimator needs to be + ! adjusted since tallying is only occuring when a scatter has + ! happened. Effectively this means multiplying the estimator by + ! total/scatter macro + score = (macro_total - p % mu * macro_scatt) * (ONE / macro_scatt) + + + case (SCORE_N_1N) + ! Only analog estimators are available. + ! Skip any event where the particle didn't scatter + if (p % event /= EVENT_SCATTER) cycle SCORE_LOOP + ! Skip any events where weight of particle changed + if (p % wgt /= p % last_wgt) cycle SCORE_LOOP + ! All events that reach this point are (n,1n) reactions + score = p % last_wgt + + + case (SCORE_ABSORPTION) + if (t % estimator == ESTIMATOR_ANALOG) then + if (survival_biasing) then + ! No absorption events actually occur if survival biasing is on -- + ! just use weight absorbed in survival biasing + score = p % absorb_wgt + else + ! Skip any event where the particle wasn't absorbed + if (p % event == EVENT_SCATTER) cycle SCORE_LOOP + ! All fission and absorption events will contribute here, so we + ! can just use the particle's weight entering the collision + score = p % last_wgt + end if + + else if (t % estimator == ESTIMATOR_TRACKLENGTH) then + if (i_nuclide > 0) then + score = micro_xs(i_nuclide) % absorption * atom_density * flux + else + score = material_xs % absorption * flux + end if + end if + + + case (SCORE_FISSION) + if (t % estimator == ESTIMATOR_ANALOG) then + if (survival_biasing) then + ! No fission events occur if survival biasing is on -- need to + ! calculate fraction of absorptions that would have resulted in + ! fission + if (micro_xs(p % event_nuclide) % absorption > ZERO) then + score = p % absorb_wgt * micro_xs(p % event_nuclide) % fission & + / micro_xs(p % event_nuclide) % absorption + else + score = ZERO + end if + else + ! Skip any non-absorption events + if (p % event == EVENT_SCATTER) cycle SCORE_LOOP + ! All fission events will contribute, so again we can use + ! particle's weight entering the collision as the estimate for the + ! fission reaction rate + score = p % last_wgt * micro_xs(p % event_nuclide) % fission & + / micro_xs(p % event_nuclide) % absorption + end if + + else if (t % estimator == ESTIMATOR_TRACKLENGTH) then + if (i_nuclide > 0) then + score = micro_xs(i_nuclide) % fission * atom_density * flux + else + score = material_xs % fission * flux + end if + end if + + + case (SCORE_NU_FISSION) + if (t % estimator == ESTIMATOR_ANALOG) then + if (survival_biasing .or. p % fission) then + if (t % find_filter(FILTER_ENERGYOUT) > 0) then + ! Normally, we only need to make contributions to one scoring + ! bin. However, in the case of fission, since multiple fission + ! neutrons were emitted with different energies, multiple + ! outgoing energy bins may have been scored to. The following + ! logic treats this special case and results to multiple bins + call score_fission_eout(p, t, score_index) + cycle SCORE_LOOP + end if + end if + if (survival_biasing) then + ! No fission events occur if survival biasing is on -- need to + ! calculate fraction of absorptions that would have resulted in + ! nu-fission + if (micro_xs(p % event_nuclide) % absorption > ZERO) then + score = p % absorb_wgt * micro_xs(p % event_nuclide) % & + nu_fission / micro_xs(p % event_nuclide) % absorption + else + score = ZERO + end if + else + ! Skip any non-fission events + if (.not. p % fission) cycle SCORE_LOOP + ! If there is no outgoing energy filter, than we only need to + ! score to one bin. For the score to be 'analog', we need to + ! score the number of particles that were banked in the fission + ! bank. Since this was weighted by 1/keff, we multiply by keff + ! to get the proper score. + score = keff * p % wgt_bank + end if + + else if (t % estimator == ESTIMATOR_TRACKLENGTH) then + if (i_nuclide > 0) then + score = micro_xs(i_nuclide) % nu_fission * atom_density * flux + else + score = material_xs % nu_fission * flux + end if + end if + + + case (SCORE_KAPPA_FISSION) + if (t % estimator == ESTIMATOR_ANALOG) then + if (survival_biasing) then + ! No fission events occur if survival biasing is on -- need to + ! calculate fraction of absorptions that would have resulted in + ! fission scale by kappa-fission + if (micro_xs(p % event_nuclide) % absorption > ZERO) then + score = p % absorb_wgt * & + micro_xs(p % event_nuclide) % kappa_fission / & + micro_xs(p % event_nuclide) % absorption + else + score = ZERO + end if + else + ! Skip any non-absorption events + if (p % event == EVENT_SCATTER) cycle SCORE_LOOP + ! All fission events will contribute, so again we can use + ! particle's weight entering the collision as the estimate for + ! the fission energy production rate + score = p % last_wgt * & + micro_xs(p % event_nuclide) % kappa_fission / & + micro_xs(p % event_nuclide) % absorption + end if + + else if (t % estimator == ESTIMATOR_TRACKLENGTH) then + if (i_nuclide > 0) then + score = micro_xs(i_nuclide) % kappa_fission * atom_density * flux + else + score = material_xs % kappa_fission * flux + end if + end if + + + case (SCORE_EVENTS) + ! Simply count number of scoring events + score = ONE + + + case default + if (t % estimator == ESTIMATOR_ANALOG) then + ! Any other score is assumed to be a MT number. Thus, we just need + ! to check if it matches the MT number of the event + if (p % event_MT /= score_bin) cycle SCORE_LOOP + score = p % last_wgt + + else if (t % estimator == ESTIMATOR_TRACKLENGTH) then + ! Any other cross section has to be calculated on-the-fly. For + ! cross sections that are used often (e.g. n2n, ngamma, etc. for + ! depletion), it might make sense to optimize this section or + ! pre-calculate cross sections + if (score_bin > 1) then + ! Set default score + score = ZERO + + if (i_nuclide > 0) then + ! TODO: The following search for the matching reaction could + ! be replaced by adding a dictionary on each Nuclide instance + ! of the form {MT: i_reaction, ...} + REACTION_LOOP: do m = 1, nuclides(i_nuclide) % n_reaction + ! Get pointer to reaction + rxn => nuclides(i_nuclide) % reactions(m) + ! Check if this is the desired MT + if (score_bin == rxn % MT) then + ! Retrieve index on nuclide energy grid and interpolation + ! factor + i_energy = micro_xs(i_nuclide) % index_grid + f = micro_xs(i_nuclide) % interp_factor + if (i_energy >= rxn % threshold) then + score = ((ONE - f) * rxn % sigma(i_energy - & + rxn%threshold + 1) + f * rxn % sigma(i_energy - & + rxn%threshold + 2)) * atom_density * flux + end if + exit REACTION_LOOP + end if + end do REACTION_LOOP + + else + ! Get pointer to current material + mat => materials(p % material) + do l = 1, mat % n_nuclides + ! Get atom density + atom_density_ = mat % atom_density(l) + ! Get index in nuclides array + i_nuc = mat % nuclide(l) + ! TODO: The following search for the matching reaction could + ! be replaced by adding a dictionary on each Nuclide + ! instance of the form {MT: i_reaction, ...} + do m = 1, nuclides(i_nuc) % n_reaction + ! Get pointer to reaction + rxn => nuclides(i_nuc) % reactions(m) + ! Check if this is the desired MT + if (score_bin == rxn % MT) then + ! Retrieve index on nuclide energy grid and interpolation + ! factor + i_energy = micro_xs(i_nuc) % index_grid + f = micro_xs(i_nuc) % interp_factor + if (i_energy >= rxn % threshold) then + score = score + ((ONE - f) * rxn % sigma(i_energy - & + rxn%threshold + 1) + f * rxn % sigma(i_energy - & + rxn%threshold + 2)) * atom_density_ * flux + end if + exit + end if + end do + end do + end if + + else + call fatal_error("Invalid score type on tally " & + // to_str(t % id) // ".") + end if + end if + + + end select + + !######################################################################### + ! Expand score if necessary and add to tally results. + + select case(score_bin) + + + case (SCORE_SCATTER_N, SCORE_NU_SCATTER_N) + ! Find the scattering order for a singly requested moment, and + ! store its moment contribution. + if (t % moment_order(i) == 1) then + score = score * p % mu ! avoid function call overhead + else + score = score * calc_pn(t % moment_order(i), p % mu) + endif +!$omp atomic + t % results(score_index, filter_index) % value = & + t % results(score_index, filter_index) % value + score + + + case(SCORE_SCATTER_YN, SCORE_NU_SCATTER_YN) + score_index = score_index - 1 + num_nm = 1 + ! Find the order for a collection of requested moments + ! and store the moment contribution of each + do n = 0, t % moment_order(i) + ! determine scoring bin index + score_index = score_index + num_nm + ! Update number of total n,m bins for this n (m = [-n: n]) + num_nm = 2 * n + 1 + + ! multiply score by the angular flux moments and store +!$omp critical (score_general_scatt_yn) + t % results(score_index: score_index + num_nm - 1, filter_index) & + % value = t & + % results(score_index: score_index + num_nm - 1, filter_index)& + % value & + + score * calc_pn(n, p % mu) * calc_rn(n, p % last_uvw) +!$omp end critical (score_general_scatt_yn) + end do + i = i + (t % moment_order(i) + 1)**2 - 1 + + + case(SCORE_FLUX_YN, SCORE_TOTAL_YN) + score_index = score_index - 1 + num_nm = 1 + if (t % estimator == ESTIMATOR_ANALOG) then + uvw = p % last_uvw + else if (t % estimator == ESTIMATOR_TRACKLENGTH) then + uvw = p % coord(1) % uvw + end if + ! Find the order for a collection of requested moments + ! and store the moment contribution of each + do n = 0, t % moment_order(i) + ! determine scoring bin index + score_index = score_index + num_nm + ! Update number of total n,m bins for this n (m = [-n: n]) + num_nm = 2 * n + 1 + + ! multiply score by the angular flux moments and store +!$omp critical (score_general_flux_tot_yn) + t % results(score_index: score_index + num_nm - 1, filter_index) & + % value = t & + % results(score_index: score_index + num_nm - 1, filter_index)& + % value & + + score * calc_rn(n, uvw) +!$omp end critical (score_general_flux_tot_yn) + end do + i = i + (t % moment_order(i) + 1)**2 - 1 + + + case (SCORE_SCATTER_PN, SCORE_NU_SCATTER_PN) + score_index = score_index - 1 + ! Find the scattering order for a collection of requested moments + ! and store the moment contribution of each + do n = 0, t % moment_order(i) + ! determine scoring bin index + score_index = score_index + 1 + + ! get the score and tally it +!$omp atomic + t % results(score_index, filter_index) % value = & + t % results(score_index, filter_index) % value & + + score * calc_pn(n, p % mu) + end do + i = i + t % moment_order(i) + + + case default +!$omp atomic + t % results(score_index, filter_index) % value = & + t % results(score_index, filter_index) % value + score + + + end select + end do SCORE_LOOP + end subroutine score_general + !=============================================================================== ! SCORE_ANALOG_TALLY keeps track of how many events occur in a specified cell, ! energy range, etc. Note that since these are "analog" tallies, they are only @@ -38,25 +548,15 @@ contains integer :: i integer :: i_tally - integer :: j ! loop index for scoring bins integer :: k ! loop index for nuclide bins - integer :: n ! loop index for legendre order - integer :: num_nm ! Number of N,M orders in harmonic - integer :: l ! scoring bin loop index, allowing for changing ! position during the loop integer :: filter_index ! single index for single bin - integer :: score_bin ! scoring bin, e.g. SCORE_FLUX integer :: i_nuclide ! index in nuclides array - integer :: score_index ! scoring bin index - real(8) :: score ! analog tally score real(8) :: last_wgt ! pre-collision particle weight real(8) :: wgt ! post-collision particle weight real(8) :: mu ! cosine of angle of collision - real(8) :: macro_total ! material macro total xs - real(8) :: macro_scatt ! material macro scatt xs logical :: found_bin ! scoring bin found? - type(TallyObject), pointer, save :: t => null() -!$omp threadprivate(t) + type(TallyObject), pointer :: t ! Copy particle's pre- and post-collision weight and angle last_wgt = p % last_wgt @@ -124,427 +624,8 @@ contains end if ! Determine score for each bin - j = 0 - SCORE_LOOP: do l = 1, t % n_user_score_bins - j = j + 1 - ! determine what type of score bin - score_bin = t % score_bins(j) - - ! determine scoring bin index - score_index = (k - 1)*t % n_score_bins + j - - select case (score_bin) - case (SCORE_FLUX) - ! All events score to a flux bin. We actually use a collision - ! estimator since there is no way to count 'events' exactly for - ! the flux - - if (survival_biasing) then - ! We need to account for the fact that some weight was already - ! absorbed - score = last_wgt + p % absorb_wgt - else - score = last_wgt - end if - - score = score / material_xs % total - case (SCORE_FLUX_YN) - ! All events score to a flux bin. We actually use a collision - ! estimator since there is no way to count 'events' exactly for - ! the flux - - score_index = score_index - 1 - - ! get the score - if (survival_biasing) then - ! We need to account for the fact that some weight was already - ! absorbed - score = last_wgt + p % absorb_wgt - else - score = last_wgt - end if - - score = score / material_xs % total - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % last_uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_TOTAL) - ! All events will score to the total reaction rate. We can just - ! use the weight of the particle entering the collision as the - ! score - - if (survival_biasing) then - ! We need to account for the fact that some weight was already - ! absorbed - score = last_wgt + p % absorb_wgt - else - score = last_wgt - end if - - case (SCORE_TOTAL_YN) - ! All events will score to the total reaction rate. We can just - ! use the weight of the particle entering the collision as the - ! score - - score_index = score_index - 1 - - ! get the score - if (survival_biasing) then - ! We need to account for the fact that some weight was already - ! absorbed - score = last_wgt + p % absorb_wgt - else - score = last_wgt - end if - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % last_uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_SCATTER) - ! Skip any event where the particle didn't scatter - if (p % event /= EVENT_SCATTER) cycle SCORE_LOOP - - ! Since only scattering events make it here, again we can use - ! the weight entering the collision as the estimator for the - ! reaction rate - - score = last_wgt - - case (SCORE_NU_SCATTER) - ! Skip any event where the particle didn't scatter - if (p % event /= EVENT_SCATTER) cycle SCORE_LOOP - - ! For scattering production, we need to use the post-collision - ! weight as the estimate for the number of neutrons exiting a - ! reaction with neutrons in the exit channel - - score = wgt - - case (SCORE_SCATTER_N) - ! Skip any event where the particle didn't scatter - if (p % event /= EVENT_SCATTER) cycle SCORE_LOOP - - ! Find the scattering order for a singly requested moment, and - ! store its moment contribution. - - if (t % moment_order(j) == 1) then - score = last_wgt * mu ! avoid function call overhead - else - score = last_wgt * calc_pn(t % moment_order(j), mu) - endif - - case (SCORE_SCATTER_PN) - ! Skip any event where the particle didn't scatter - if (p % event /= EVENT_SCATTER) then - j = j + t % moment_order(j) - cycle SCORE_LOOP - end if - score_index = score_index - 1 - ! Find the scattering order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + 1 - ! get the score and tally it - score = last_wgt * calc_pn(n, mu) - -!$omp atomic - t % results(score_index, filter_index) % value = & - t % results(score_index, filter_index) % value + score - end do - j = j + t % moment_order(j) - cycle SCORE_LOOP - - case (SCORE_SCATTER_YN) - ! Skip any event where the particle didn't scatter - if (p % event /= EVENT_SCATTER) then - j = j + t % moment_order(j) - cycle SCORE_LOOP - end if - score_index = score_index - 1 - - ! Calculate the number of moments from t % moment_order - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - ! get the score of the scattering moment - score = last_wgt * calc_pn(n, mu) - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % last_uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_NU_SCATTER_N) - ! Skip any event where the particle didn't scatter - if (p % event /= EVENT_SCATTER) cycle SCORE_LOOP - - ! Find the scattering order for a singly requested moment, and - ! store its moment contribution. - - if (t % moment_order(j) == 1) then - score = wgt * mu ! avoid function call overhead - else - score = wgt * calc_pn(t % moment_order(j), mu) - endif - - case (SCORE_NU_SCATTER_PN) - ! Skip any event where the particle didn't scatter - if (p % event /= EVENT_SCATTER) then - j = j + t % moment_order(j) - cycle SCORE_LOOP - end if - score_index = score_index - 1 - ! Find the scattering order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + 1 - ! get the score and tally it - score = wgt * calc_pn(n, mu) - -!$omp atomic - t % results(score_index, filter_index) % value = & - t % results(score_index, filter_index) % value + score - end do - j = j + t % moment_order(j) - cycle SCORE_LOOP - - case (SCORE_NU_SCATTER_YN) - ! Skip any event where the particle didn't scatter - if (p % event /= EVENT_SCATTER) then - j = j + t % moment_order(j) - cycle SCORE_LOOP - end if - score_index = score_index - 1 - - ! Calculate the number of moments from t % moment_order - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - ! get the score of the scattering moment - score = wgt * calc_pn(n, mu) - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % last_uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_TRANSPORT) - ! Skip any event where the particle didn't scatter - if (p % event /= EVENT_SCATTER) cycle SCORE_LOOP - - ! get material macros - macro_total = material_xs % total - macro_scatt = material_xs % total - material_xs % absorption - - ! Score total rate - p1 scatter rate Note estimator needs to be - ! adjusted since tallying is only occuring when a scatter has - ! happened. Effectively this means multiplying the estimator by - ! total/scatter macro - score = (macro_total - mu*macro_scatt)*(ONE/macro_scatt) - - case (SCORE_N_1N) - ! Skip any event where the particle didn't scatter - if (p % event /= EVENT_SCATTER) cycle SCORE_LOOP - - ! Skip any events where weight of particle changed - if (wgt /= last_wgt) cycle SCORE_LOOP - - ! All events that reach this point are (n,1n) reactions - score = last_wgt - - case (SCORE_ABSORPTION) - if (survival_biasing) then - ! No absorption events actually occur if survival biasing is on -- - ! just use weight absorbed in survival biasing - - score = p % absorb_wgt - - else - ! Skip any event where the particle wasn't absorbed - if (p % event == EVENT_SCATTER) cycle SCORE_LOOP - - ! All fission and absorption events will contribute here, so we - ! can just use the particle's weight entering the collision - - score = last_wgt - end if - - case (SCORE_FISSION) - if (survival_biasing) then - ! No fission events occur if survival biasing is on -- need to - ! calculate fraction of absorptions that would have resulted in - ! fission - - if (micro_xs(p % event_nuclide) % absorption > ZERO) then - score = p % absorb_wgt * micro_xs(p % event_nuclide) % fission / & - micro_xs(p % event_nuclide) % absorption - else - score = ZERO - end if - - else - ! Skip any non-absorption events - if (p % event == EVENT_SCATTER) cycle SCORE_LOOP - - ! All fission events will contribute, so again we can use - ! particle's weight entering the collision as the estimate for the - ! fission reaction rate - - score = last_wgt * micro_xs(p % event_nuclide) % fission / & - micro_xs(p % event_nuclide) % absorption - end if - - case (SCORE_NU_FISSION) - if (survival_biasing) then - ! No fission events occur if survival biasing is on -- need to - ! calculate fraction of absorptions that would have resulted in - ! nu-fission - - if (t % find_filter(FILTER_ENERGYOUT) > 0) then - ! Normally, we only need to make contributions to one scoring - ! bin. However, in the case of fission, since multiple fission - ! neutrons were emitted with different energies, multiple - ! outgoing energy bins may have been scored to. The following - ! logic treats this special case and results to multiple bins - - call score_fission_eout(p, t, score_index) - cycle SCORE_LOOP - - else - - if (micro_xs(p % event_nuclide) % absorption > ZERO) then - score = p % absorb_wgt * micro_xs(p % event_nuclide) % & - nu_fission / micro_xs(p % event_nuclide) % absorption - else - score = ZERO - end if - end if - - else - ! Skip any non-fission events - if (.not. p % fission) cycle SCORE_LOOP - - if (t % find_filter(FILTER_ENERGYOUT) > 0) then - ! Normally, we only need to make contributions to one scoring - ! bin. However, in the case of fission, since multiple fission - ! neutrons were emitted with different energies, multiple - ! outgoing energy bins may have been scored to. The following - ! logic treats this special case and results to multiple bins - - call score_fission_eout(p, t, score_index) - cycle SCORE_LOOP - - else - ! If there is no outgoing energy filter, than we only need to - ! score to one bin. For the score to be 'analog', we need to - ! score the number of particles that were banked in the fission - ! bank. Since this was weighted by 1/keff, we multiply by keff - ! to get the proper score. - - score = keff * p % wgt_bank - - end if - end if - - case (SCORE_KAPPA_FISSION) - if (survival_biasing) then - ! No fission events occur if survival biasing is on -- need to - ! calculate fraction of absorptions that would have resulted in - ! fission scale by kappa-fission - - if (micro_xs(p % event_nuclide) % absorption > ZERO) then - score = p % absorb_wgt * & - micro_xs(p % event_nuclide) % kappa_fission / & - micro_xs(p % event_nuclide) % absorption - else - score = ZERO - end if - - else - ! Skip any non-absorption events - if (p % event == EVENT_SCATTER) cycle SCORE_LOOP - - ! All fission events will contribute, so again we can use - ! particle's weight entering the collision as the estimate for - ! the fission energy production rate - score = last_wgt * & - micro_xs(p % event_nuclide) % kappa_fission / & - micro_xs(p % event_nuclide) % absorption - end if - case (SCORE_EVENTS) - ! Simply count number of scoring events - score = ONE - - case default - ! Any other score is assumed to be a MT number. Thus, we just need - ! to check if it matches the MT number of the event - if (p % event_MT /= score_bin) cycle SCORE_LOOP - - score = last_wgt - - end select - - ! Add score to tally -!$omp atomic - t % results(score_index, filter_index) % value = & - t % results(score_index, filter_index) % value + score - - end do SCORE_LOOP + call score_general(p, t, (k-1)*t % n_score_bins, filter_index, & + i_nuclide, ZERO, ZERO) end do NUCLIDE_LOOP @@ -640,26 +721,13 @@ contains integer :: i_tally integer :: j ! loop index for scoring bins integer :: k ! loop index for nuclide bins - integer :: l ! loop index for nuclides in material - integer :: m ! loop index for reactions - integer :: n ! loop index for legendre order - integer :: num_nm ! Number of N,M orders in harmonic - integer :: q ! loop index for scoring bins integer :: filter_index ! single index for single bin integer :: i_nuclide ! index in nuclides array (from bins) - integer :: i_nuc ! index in nuclides array (from material) - integer :: i_energy ! index in nuclide energy grid - integer :: score_bin ! scoring type, e.g. SCORE_FLUX - integer :: score_index ! scoring bin index - real(8) :: f ! interpolation factor real(8) :: flux ! tracklength estimate of flux - real(8) :: score ! actual score (e.g., flux*xs) real(8) :: atom_density ! atom density of single nuclide in atom/b-cm logical :: found_bin ! scoring bin found? - type(TallyObject), pointer, save :: t => null() - type(Material), pointer, save :: mat => null() - type(Reaction), pointer, save :: rxn => null() -!$omp threadprivate(t, mat, rxn) + type(TallyObject), pointer :: t + type(Material), pointer :: mat ! Determine track-length estimate of flux flux = p % wgt * distance @@ -731,291 +799,8 @@ contains end if ! Determine score for each bin - j = 0 - SCORE_LOOP: do q = 1, t % n_user_score_bins - j = j + 1 - ! determine what type of score bin - score_bin = t % score_bins(j) - - ! determine scoring bin index - score_index = (k - 1)*t % n_score_bins + j - - if (i_nuclide > 0) then - ! ================================================================ - ! DETERMINE NUCLIDE CROSS SECTION - - select case(score_bin) - case (SCORE_FLUX) - ! For flux, we need no cross section - score = flux - - case (SCORE_FLUX_YN) - score_index = score_index - 1 - - ! For flux, we need no cross section - score = flux - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_TOTAL) - ! Total cross section is pre-calculated - score = micro_xs(i_nuclide) % total * & - atom_density * flux - - case (SCORE_TOTAL_YN) - score_index = score_index - 1 - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_SCATTER) - ! Scattering cross section is pre-calculated - score = (micro_xs(i_nuclide) % total - & - micro_xs(i_nuclide) % absorption) * & - atom_density * flux - - case (SCORE_ABSORPTION) - ! Absorption cross section is pre-calculated - score = micro_xs(i_nuclide) % absorption * & - atom_density * flux - - case (SCORE_FISSION) - ! Fission cross section is pre-calculated - score = micro_xs(i_nuclide) % fission * & - atom_density * flux - - case (SCORE_NU_FISSION) - ! Nu-fission cross section is pre-calculated - score = micro_xs(i_nuclide) % nu_fission * & - atom_density * flux - - case (SCORE_KAPPA_FISSION) - score = micro_xs(i_nuclide) % kappa_fission * & - atom_density * flux - - case (SCORE_EVENTS) - ! For number of events, just score unity - score = ONE - - case default - ! Any other cross section has to be calculated on-the-fly. For - ! cross sections that are used often (e.g. n2n, ngamma, etc. for - ! depletion), it might make sense to optimize this section or - ! pre-calculate cross sections - - if (score_bin > 1) then - ! Set default score - score = ZERO - - ! TODO: The following search for the matching reaction could - ! be replaced by adding a dictionary on each Nuclide instance - ! of the form {MT: i_reaction, ...} - - REACTION_LOOP: do m = 1, nuclides(i_nuclide) % n_reaction - ! Get pointer to reaction - rxn => nuclides(i_nuclide) % reactions(m) - - ! Check if this is the desired MT - if (score_bin == rxn % MT) then - ! Retrieve index on nuclide energy grid and interpolation - ! factor - i_energy = micro_xs(i_nuclide) % index_grid - f = micro_xs(i_nuclide) % interp_factor - - if (i_energy >= rxn % threshold) then - score = ((ONE - f) * rxn % sigma(i_energy - & - rxn%threshold + 1) + f * rxn % sigma(i_energy - & - rxn%threshold + 2)) * atom_density * flux - end if - - exit REACTION_LOOP - end if - end do REACTION_LOOP - - else - call fatal_error("Invalid score type on tally " & - &// to_str(t % id) // ".") - end if - end select - - else - ! ================================================================ - ! DETERMINE MATERIAL CROSS SECTION - - select case(score_bin) - case (SCORE_FLUX) - ! For flux, we need no cross section - score = flux - - case (SCORE_FLUX_YN) - score_index = score_index - 1 - - ! For flux, we need no cross section - score = flux - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_TOTAL) - ! Total cross section is pre-calculated - score = material_xs % total * flux - - case (SCORE_TOTAL_YN) - score_index = score_index - 1 - - ! Total cross section is pre-calculated - score = material_xs % total * flux - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_SCATTER) - ! Scattering cross section is pre-calculated - score = (material_xs % total - material_xs % absorption) * flux - - case (SCORE_ABSORPTION) - ! Absorption cross section is pre-calculated - score = material_xs % absorption * flux - - case (SCORE_FISSION) - ! Fission cross section is pre-calculated - score = material_xs % fission * flux - - case (SCORE_NU_FISSION) - ! Nu-fission cross section is pre-calculated - score = material_xs % nu_fission * flux - - case (SCORE_KAPPA_FISSION) - score = material_xs % kappa_fission * flux - - case (SCORE_EVENTS) - ! For number of events, just score unity - score = ONE - - case default - ! Any other cross section has to be calculated on-the-fly. This - ! is somewhat costly since it requires a loop over each nuclide - ! in a material and each reaction in the nuclide - - if (score_bin > 1) then - ! Set default score - score = ZERO - - ! Get pointer to current material - mat => materials(p % material) - - do l = 1, mat % n_nuclides - ! Get atom density - atom_density = mat % atom_density(l) - - ! Get index in nuclides array - i_nuc = mat % nuclide(l) - - ! TODO: The following search for the matching reaction could - ! be replaced by adding a dictionary on each Nuclide - ! instance of the form {MT: i_reaction, ...} - - do m = 1, nuclides(i_nuc) % n_reaction - ! Get pointer to reaction - rxn => nuclides(i_nuc) % reactions(m) - - ! Check if this is the desired MT - if (score_bin == rxn % MT) then - ! Retrieve index on nuclide energy grid and interpolation - ! factor - i_energy = micro_xs(i_nuc) % index_grid - f = micro_xs(i_nuc) % interp_factor - - if (i_energy >= rxn % threshold) then - score = score + ((ONE - f) * rxn % sigma(i_energy - & - rxn%threshold + 1) + f * rxn % sigma(i_energy - & - rxn%threshold + 2)) * atom_density * flux - end if - - exit - end if - end do - - end do - - else - call fatal_error("Invalid score type on tally " & - &// to_str(t % id) // ".") - end if - end select - end if - - ! Add score to tally -!$omp atomic - t % results(score_index, filter_index) % value = & - t % results(score_index, filter_index) % value + score - - end do SCORE_LOOP + call score_general(p, t, (k-1)*t % n_score_bins, filter_index, & + i_nuclide, atom_density, flux) end do NUCLIDE_BIN_LOOP end if @@ -1047,22 +832,10 @@ contains integer, intent(in) :: filter_index integer :: i ! loop index for nuclides in material - integer :: j ! loop index for scoring bin types - integer :: m ! loop index for reactions in nuclide - integer :: n ! loop index for legendre order - integer :: num_nm ! Number of N,M orders in harmonic - integer :: q ! loop index for scoring bins integer :: i_nuclide ! index in nuclides array - integer :: score_bin ! type of score, e.g. SCORE_FLUX - integer :: score_index ! scoring bin index - integer :: i_energy ! index in nuclide energy grid - real(8) :: f ! interpolation factor - real(8) :: score ! actual scoring tally value real(8) :: atom_density ! atom density of single nuclide in atom/b-cm - type(TallyObject), pointer, save :: t => null() - type(Material), pointer, save :: mat => null() - type(Reaction), pointer, save :: rxn => null() -!$omp threadprivate(t, mat, rxn) + type(TallyObject), pointer :: t + type(Material), pointer :: mat ! Get pointer to tally t => tallies(i_tally) @@ -1081,290 +854,21 @@ contains i_nuclide = mat % nuclide(i) atom_density = mat % atom_density(i) - ! Loop over score types for each bin - j = 0 - SCORE_LOOP: do q = 1, t % n_user_score_bins - j = j + 1 - ! determine what type of score bin - score_bin = t % score_bins(j) - - ! Determine scoring bin index based on what the index of the nuclide - ! is in the nuclides array - score_index = (i_nuclide - 1)*t % n_score_bins + j - - ! Determine macroscopic nuclide cross section - select case(score_bin) - case (SCORE_FLUX) - score = flux - - case (SCORE_FLUX_YN) - score_index = score_index - 1 - - ! For flux, we need no cross section - score = flux - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_TOTAL) - score = micro_xs(i_nuclide) % total * atom_density * flux - - case (SCORE_TOTAL_YN) - score_index = score_index - 1 - - score = micro_xs(i_nuclide) % total * atom_density * flux - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_SCATTER) - score = (micro_xs(i_nuclide) % total - & - micro_xs(i_nuclide) % absorption) * atom_density * flux - - case (SCORE_ABSORPTION) - score = micro_xs(i_nuclide) % absorption * atom_density * flux - - case (SCORE_FISSION) - score = micro_xs(i_nuclide) % fission * atom_density * flux - - case (SCORE_NU_FISSION) - score = micro_xs(i_nuclide) % nu_fission * atom_density * flux - - case (SCORE_KAPPA_FISSION) - score = micro_xs(i_nuclide) % kappa_fission * atom_density * flux - - case (SCORE_EVENTS) - score = ONE - - case default - ! Any other cross section has to be calculated on-the-fly. For cross - ! sections that are used often (e.g. n2n, ngamma, etc. for depletion), - ! it might make sense to optimize this section or pre-calculate cross - ! sections - - if (score_bin > 1) then - ! Set default score - score = ZERO - - ! TODO: The following search for the matching reaction could be - ! replaced by adding a dictionary on each Nuclide instance of the - ! form {MT: i_reaction, ...} - - REACTION_LOOP: do m = 1, nuclides(i_nuclide) % n_reaction - ! Get pointer to reaction - rxn => nuclides(i_nuclide) % reactions(m) - - ! Check if this is the desired MT - if (score_bin == rxn % MT) then - ! Retrieve index on nuclide energy grid and interpolation factor - i_energy = micro_xs(i_nuclide) % index_grid - f = micro_xs(i_nuclide) % interp_factor - - if (i_energy >= rxn % threshold) then - score = ((ONE - f) * rxn % sigma(i_energy - & - rxn%threshold + 1) + f * rxn % sigma(i_energy - & - rxn%threshold + 2)) * atom_density * flux - end if - - exit REACTION_LOOP - end if - end do REACTION_LOOP - - else - call fatal_error("Invalid score type on tally " & - &// to_str(t % id) // ".") - end if - end select - - ! Add score to tally -!$omp atomic - t % results(score_index, filter_index) % value = & - t % results(score_index, filter_index) % value + score - - end do SCORE_LOOP + ! Determine score for each bin + call score_general(p, t, (i_nuclide-1)*t % n_score_bins, filter_index, & + i_nuclide, atom_density, flux) end do NUCLIDE_LOOP ! ========================================================================== ! SCORE TOTAL MATERIAL REACTION RATES - ! Loop over score types for each bin - j = 0 - MATERIAL_SCORE_LOOP: do q = 1, t % n_user_score_bins - j = j + 1 - ! determine what type of score bin - score_bin = t % score_bins(j) + i_nuclide = -1 + atom_density = ZERO - ! Determine scoring bin index based on what the index of the nuclide - ! is in the nuclides array - score_index = n_nuclides_total*t % n_score_bins + j - - ! Determine macroscopic material cross section - select case(score_bin) - case (SCORE_FLUX) - score = flux - - case (SCORE_FLUX_YN) - score_index = score_index - 1 - - ! For flux, we need no cross section - score = flux - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle MATERIAL_SCORE_LOOP - - case (SCORE_TOTAL) - score = material_xs % total * flux - - case (SCORE_TOTAL_YN) - score_index = score_index - 1 - - ! Total cross section is pre-calculated - score = material_xs % total * flux - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle MATERIAL_SCORE_LOOP - - case (SCORE_SCATTER) - score = (material_xs % total - material_xs % absorption) * flux - - case (SCORE_ABSORPTION) - score = material_xs % absorption * flux - - case (SCORE_FISSION) - score = material_xs % fission * flux - - case (SCORE_NU_FISSION) - score = material_xs % nu_fission * flux - - case (SCORE_KAPPA_FISSION) - score = material_xs % kappa_fission * flux - - case (SCORE_EVENTS) - score = ONE - - case default - ! Any other cross section has to be calculated on-the-fly. This is - ! somewhat costly since it requires a loop over each nuclide in a - ! material and each reaction in the nuclide - - if (score_bin > 1) then - ! Set default score - score = ZERO - - ! Get pointer to current material - mat => materials(p % material) - - do i = 1, mat % n_nuclides - ! Get atom density - atom_density = mat % atom_density(i) - - ! Get index in nuclides array - i_nuclide = mat % nuclide(i) - - ! TODO: The following search for the matching reaction could - ! be replaced by adding a dictionary on each Nuclide - ! instance of the form {MT: i_reaction, ...} - - do m = 1, nuclides(i_nuclide) % n_reaction - ! Get pointer to reaction - rxn => nuclides(i_nuclide) % reactions(m) - - ! Check if this is the desired MT - if (score_bin == rxn % MT) then - ! Retrieve index on nuclide energy grid and interpolation - ! factor - i_energy = micro_xs(i_nuclide) % index_grid - f = micro_xs(i_nuclide) % interp_factor - - if (i_energy >= rxn % threshold) then - score = score + ((ONE - f) * rxn % sigma(i_energy - & - rxn%threshold + 1) + f * rxn % sigma(i_energy - & - rxn%threshold + 2)) * atom_density * flux - end if - - exit - end if - end do - - end do - - else - call fatal_error("Invalid score type on tally " & - &// to_str(t % id) // ".") - end if - end select - - ! Add score to tally -!$omp atomic - t % results(score_index, filter_index) % value = & - t % results(score_index, filter_index) % value + score - - end do MATERIAL_SCORE_LOOP + ! Determine score for each bin + call score_general(p, t, n_nuclides_total*t % n_score_bins, filter_index, & + i_nuclide, atom_density, flux) end subroutine score_all_nuclides @@ -1384,21 +888,15 @@ contains integer :: j ! loop index for direction integer :: k ! loop index for mesh cell crossings integer :: b ! loop index for nuclide bins - integer :: n ! loop index for legendre order - integer :: num_nm ! Number of N,M orders in harmonic - integer :: q ! loop index for scoring bins integer :: ijk0(3) ! indices of starting coordinates integer :: ijk1(3) ! indices of ending coordinates integer :: ijk_cross(3) ! indices of mesh cell crossed integer :: n_cross ! number of surface crossings integer :: filter_index ! single index for single bin - integer :: score_bin ! scoring bin, e.g. SCORE_FLUX integer :: i_nuclide ! index in nuclides array - integer :: score_index ! scoring bin index integer :: i_filter_mesh ! index of mesh filter in filters array real(8) :: atom_density ! density of individual nuclide in atom/b-cm real(8) :: flux ! tracklength estimate of flux - real(8) :: score ! actual score (e.g., flux*xs) real(8) :: uvw(3) ! cosine of angle of particle real(8) :: xyz0(3) ! starting/intermediate coordinates real(8) :: xyz1(3) ! ending coordinates of particle @@ -1408,11 +906,9 @@ contains logical :: found_bin ! was a scoring bin found? logical :: start_in_mesh ! starting coordinates inside mesh? logical :: end_in_mesh ! ending coordinates inside mesh? - type(TallyObject), pointer, save :: t => null() - type(StructuredMesh), pointer, save :: m => null() - type(Material), pointer, save :: mat => null() - type(LocalCoord), pointer, save :: coord => null() -!$omp threadprivate(t, m, mat, coord) + type(TallyObject), pointer :: t + type(StructuredMesh), pointer :: m + type(Material), pointer :: mat t => tallies(i_tally) matching_bins(1:t%n_filters) = 1 @@ -1421,8 +917,8 @@ contains ! CHECK IF THIS TRACK INTERSECTS THE MESH ! Copy starting and ending location of particle - xyz0 = p % coord0 % xyz - (d_track - TINY_BIT) * p % coord0 % uvw - xyz1 = p % coord0 % xyz - TINY_BIT * p % coord0 % uvw + xyz0 = p % coord(1) % xyz - (d_track - TINY_BIT) * p % coord(1) % uvw + xyz1 = p % coord(1) % xyz - TINY_BIT * p % coord(1) % uvw ! Get index for mesh filter i_filter_mesh = t % find_filter(FILTER_MESH) @@ -1443,8 +939,8 @@ contains end if ! Reset starting and ending location - xyz0 = p % coord0 % xyz - d_track * p % coord0 % uvw - xyz1 = p % coord0 % xyz + xyz0 = p % coord(1) % xyz - d_track * p % coord(1) % uvw + xyz1 = p % coord(1) % xyz ! ========================================================================= ! CHECK FOR SCORING COMBINATION FOR FILTERS OTHER THAN MESH @@ -1456,7 +952,7 @@ contains ! determine next universe bin ! TODO: Account for multiple universes when performing this filter matching_bins(i) = get_next_bin(FILTER_UNIVERSE, & - p % coord % universe, i_tally) + p % coord(p % n_coord) % universe, i_tally) case (FILTER_MATERIAL) matching_bins(i) = get_next_bin(FILTER_MATERIAL, & @@ -1464,15 +960,12 @@ contains case (FILTER_CELL) ! determine next cell bin - coord => p % coord0 - do while(associated(coord)) + do j = 1, p % n_coord position(FILTER_CELL) = 0 matching_bins(i) = get_next_bin(FILTER_CELL, & - coord % cell, i_tally) + p % coord(j) % cell, i_tally) if (matching_bins(i) /= NO_BIN_FOUND) exit - coord => coord % next end do - nullify(coord) case (FILTER_CELLBORN) ! determine next cellborn bin @@ -1512,7 +1005,7 @@ contains n_cross = sum(abs(ijk1(:m % n_dimension) - ijk0(:m % n_dimension))) + 1 ! Copy particle's direction - uvw = p % coord0 % uvw + uvw = p % coord(1) % uvw ! Bounding coordinates do j = 1, m % n_dimension @@ -1612,179 +1105,8 @@ contains end if ! Determine score for each bin - j = 0 - SCORE_LOOP: do q = 1, t % n_user_score_bins - j = j + 1 - ! determine what type of score bin - score_bin = t % score_bins(j) - - ! Determine scoring bin index - score_index = (b - 1)*t % n_score_bins + j - - if (i_nuclide > 0) then - ! Determine macroscopic nuclide cross section - select case(score_bin) - case (SCORE_FLUX) - score = flux - - case (SCORE_FLUX_YN) - score_index = score_index - 1 - - score = flux - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_TOTAL) - score = micro_xs(i_nuclide) % total * & - atom_density * flux - - case (SCORE_TOTAL_YN) - score_index = score_index - 1 - - ! Total cross section is pre-calculated - score = micro_xs(i_nuclide) % total * & - atom_density * flux - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_SCATTER) - score = (micro_xs(i_nuclide) % total - & - micro_xs(i_nuclide) % absorption) * & - atom_density * flux - case (SCORE_ABSORPTION) - score = micro_xs(i_nuclide) % absorption * & - atom_density * flux - case (SCORE_FISSION) - score = micro_xs(i_nuclide) % fission * & - atom_density * flux - case (SCORE_NU_FISSION) - score = micro_xs(i_nuclide) % nu_fission * & - atom_density * flux - case (SCORE_KAPPA_FISSION) - score = micro_xs(i_nuclide) % kappa_fission * atom_density * flux - case (SCORE_EVENTS) - score = ONE - case default - call fatal_error("Invalid score type on tally " & - &// to_str(t % id) // ".") - end select - - else - ! Determine macroscopic material cross section - select case(score_bin) - case (SCORE_FLUX) - score = flux - - case (SCORE_FLUX_YN) - score_index = score_index - 1 - - score = flux - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_TOTAL) - score = material_xs % total * flux - - case (SCORE_TOTAL_YN) - score_index = score_index - 1 - - ! Total cross section is pre-calculated - score = material_xs % total * flux - - num_nm = 1 - ! Find the order for a collection of requested moments - ! and store the moment contribution of each - do n = 0, t % moment_order(j) - ! determine scoring bin index - score_index = score_index + num_nm - ! Update number of total n,m bins for this n (m = [-n: n]) - num_nm = 2 * n + 1 - - ! multiply score by the angular flux moments and store -!$omp critical - t % results(score_index: score_index + num_nm - 1, filter_index) % value = & - t % results(score_index: score_index + num_nm - 1, filter_index) % value + & - score * calc_rn(n, p % coord0 % uvw) -!$omp end critical - end do - j = j + (t % moment_order(j) + 1)**2 - 1 - cycle SCORE_LOOP - - case (SCORE_SCATTER) - score = (material_xs % total - material_xs % absorption) * flux - case (SCORE_ABSORPTION) - score = material_xs % absorption * flux - case (SCORE_FISSION) - score = material_xs % fission * flux - case (SCORE_NU_FISSION) - score = material_xs % nu_fission * flux - case (SCORE_KAPPA_FISSION) - score = material_xs % kappa_fission * flux - case (SCORE_EVENTS) - score = ONE - case default - call fatal_error("Invalid score type on tally " & - &// to_str(t % id) // ".") - end select - end if - - ! Add score to tally -!$omp atomic - t % results(score_index, filter_index) % value = & - t % results(score_index, filter_index) % value + score - - end do SCORE_LOOP + call score_general(p, t, (b-1)*t % n_score_bins, filter_index, & + i_nuclide, atom_density, flux) end do NUCLIDE_BIN_LOOP end if @@ -1809,12 +1131,12 @@ contains logical, intent(out) :: found_bin integer :: i ! loop index for filters + integer :: j integer :: n ! number of bins for single filter + integer :: offset ! offset for distribcell real(8) :: E ! particle energy - type(TallyObject), pointer, save :: t => null() - type(StructuredMesh), pointer, save :: m => null() - type(LocalCoord), pointer, save :: coord => null() -!$omp threadprivate(t, m, coord) + type(TallyObject), pointer :: t + type(StructuredMesh), pointer :: m found_bin = .true. t => tallies(i_tally) @@ -1828,13 +1150,13 @@ contains m => meshes(t % filters(i) % int_bins(1)) ! Determine if we're in the mesh first - call get_mesh_bin(m, p % coord0 % xyz, matching_bins(i)) + call get_mesh_bin(m, p % coord(1) % xyz, matching_bins(i)) case (FILTER_UNIVERSE) ! determine next universe bin ! TODO: Account for multiple universes when performing this filter matching_bins(i) = get_next_bin(FILTER_UNIVERSE, & - p % coord % universe, i_tally) + p % coord(p % n_coord) % universe, i_tally) case (FILTER_MATERIAL) if (p % material /= MATERIAL_VOID) then @@ -1844,15 +1166,39 @@ contains case (FILTER_CELL) ! determine next cell bin - coord => p % coord0 - do while(associated(coord)) + do j = 1, p % n_coord position(FILTER_CELL) = 0 matching_bins(i) = get_next_bin(FILTER_CELL, & - coord % cell, i_tally) + p % coord(j) % cell, i_tally) if (matching_bins(i) /= NO_BIN_FOUND) exit - coord => coord % next end do - nullify(coord) + + case (FILTER_DISTRIBCELL) + ! determine next distribcell bin + matching_bins(i) = NO_BIN_FOUND + offset = 0 + do j = 1, p % n_coord + if (cells(p % coord(j) % cell) % type == CELL_FILL) then + offset = offset + cells(p % coord(j) % cell) % & + offset(t % filters(i) % offset) + elseif(cells(p % coord(j) % cell) % type == CELL_LATTICE) then + if (lattices(p % coord(j + 1) % lattice) % obj & + % are_valid_indices([& + p % coord(j + 1) % lattice_x, & + p % coord(j + 1) % lattice_y, & + p % coord(j + 1) % lattice_z])) then + offset = offset + lattices(p % coord(j + 1) % lattice) % obj % & + offset(t % filters(i) % offset, & + p % coord(j + 1) % lattice_x, & + p % coord(j + 1) % lattice_y, & + p % coord(j + 1) % lattice_z) + end if + end if + if (t % filters(i) % int_bins(1) == p % coord(j) % cell) then + matching_bins(i) = offset + 1 + exit + end if + end do case (FILTER_CELLBORN) ! determine next cellborn bin @@ -1942,14 +1288,13 @@ contains logical :: x_same ! same starting/ending x index (i) logical :: y_same ! same starting/ending y index (j) logical :: z_same ! same starting/ending z index (k) - type(TallyObject), pointer, save :: t => null() - type(StructuredMesh), pointer, save :: m => null() -!$omp threadprivate(t, m) + type(TallyObject), pointer :: t + type(StructuredMesh), pointer :: m TALLY_LOOP: do i = 1, active_current_tallies % size() ! Copy starting and ending location of particle xyz0 = p % last_xyz - xyz1 = p % coord0 % xyz + xyz1 = p % coord(1) % xyz ! Get pointer to tally i_tally = active_current_tallies % get_item(i) @@ -1981,7 +1326,7 @@ contains end if ! Copy particle's direction - uvw = p % coord0 % uvw + uvw = p % coord(1) % uvw ! determine incoming energy bin j = t % find_filter(FILTER_ENERGYIN) @@ -2343,7 +1688,7 @@ contains real(8), allocatable :: tally_temp(:,:) ! contiguous array of results real(8) :: global_temp(N_GLOBAL_TALLIES) real(8) :: dummy ! temporary receive buffer for non-root reduces - type(TallyObject), pointer :: t => null() + type(TallyObject), pointer :: t do i = 1, active_tallies % size() t => tallies(active_tallies % get_item(i)) @@ -2437,7 +1782,7 @@ contains subroutine tally_statistics() integer :: i ! index in tallies array - type(TallyObject), pointer :: t => null() + type(TallyObject), pointer :: t ! Calculate statistics for user-defined tallies do i = 1, n_tallies diff --git a/src/tally_header.F90 b/src/tally_header.F90 index e440f472e8..d20c3fea20 100644 --- a/src/tally_header.F90 +++ b/src/tally_header.F90 @@ -1,6 +1,7 @@ module tally_header - use constants, only: NONE, N_FILTER_TYPES + use constants, only: NONE, N_FILTER_TYPES + use trigger_header, only: TriggerObject implicit none @@ -53,6 +54,7 @@ module tally_header type TallyFilter integer :: type = NONE integer :: n_bins = 0 + integer :: offset = 0 ! Only used for distribcell filters integer, allocatable :: int_bins(:) real(8), allocatable :: real_bins(:) ! Only used for energy filters @@ -71,7 +73,7 @@ module tally_header ! Basic data integer :: id ! user-defined identifier - character(len=52) :: label = "" ! user-defined label + character(len=52) :: name = "" ! user-defined name integer :: type ! volume, surface current integer :: estimator ! collision, track-length real(8) :: volume ! volume of region @@ -123,6 +125,10 @@ module tally_header ! Number of realizations of tally random variables integer :: n_realizations = 0 + ! Tally precision triggers + integer :: n_triggers = 0 ! # of triggers + type(TriggerObject), allocatable :: triggers(:) ! Array of triggers + ! Type-Bound procedures contains procedure :: clear => tallyobject_clear ! Deallocates TallyObject @@ -159,7 +165,7 @@ module tally_header ! This routine will go through each item in TallyObject and set the value ! to its default, as-initialized values, including deallocations. - this % label = "" + this % name = "" if (allocated(this % filters)) then do i = 1, size(this % filters) @@ -192,6 +198,11 @@ module tally_header this % n_realizations = 0 + if (allocated(this % triggers)) & + deallocate (this % triggers) + + this % n_triggers = 0 + end subroutine tallyobject_clear end module tally_header diff --git a/src/timer_header.F90 b/src/timer_header.F90 index 0dde85d0c2..0bf1b7aef5 100644 --- a/src/timer_header.F90 +++ b/src/timer_header.F90 @@ -15,11 +15,11 @@ module timer_header logical :: running = .false. ! is timer running? integer :: start_counts = 0 ! counts when started real(8), public :: elapsed = ZERO ! total time elapsed in seconds - contains - procedure :: start => timer_start - procedure :: get_value => timer_get_value - procedure :: stop => timer_stop - procedure :: reset => timer_reset + contains + procedure :: start => timer_start + procedure :: get_value => timer_get_value + procedure :: stop => timer_stop + procedure :: reset => timer_reset end type Timer contains @@ -83,7 +83,7 @@ contains !=============================================================================== subroutine timer_reset(self) - + class(Timer), intent(inout) :: self self % running = .false. diff --git a/src/track_output.F90 b/src/track_output.F90 index 79a2809066..fba699e8ef 100644 --- a/src/track_output.F90 +++ b/src/track_output.F90 @@ -46,7 +46,7 @@ contains end if ! Write current coordinates into the newest column. - coords(:, n_tracks) = p % coord0 % xyz + coords(:, n_tracks) = p % coord(1) % xyz end subroutine write_particle_track !=============================================================================== @@ -69,10 +69,12 @@ contains // '_' // trim(to_str(current_gen)) // '_' // trim(to_str(p % id)) & // '.binary' #endif +!$omp critical (FinalizeParticleTrack) call binout % file_create(fname) length = [3, n_tracks] call binout % write_data(coords, 'coordinates', length=length) call binout % file_close() +!$omp end critical (FinalizeParticleTrack) deallocate(coords) end subroutine finalize_particle_track diff --git a/src/tracking.F90 b/src/tracking.F90 index 8eca3871c7..e5faeb209d 100644 --- a/src/tracking.F90 +++ b/src/tracking.F90 @@ -1,5 +1,6 @@ module tracking + use constants, only: MODE_EIGENVALUE use cross_section, only: calculate_xs use error, only: fatal_error, warning use geometry, only: find_cell, distance_to_boundary, cross_surface, & @@ -28,16 +29,16 @@ contains type(Particle), intent(inout) :: p - integer :: surface_crossed ! surface which particle is on - integer :: lattice_crossed ! lattice boundary which particle crossed - integer :: last_cell ! most recent cell particle was in - integer :: n_event ! number of collisions/crossings - real(8) :: d_boundary ! distance to nearest boundary - real(8) :: d_collision ! sampled distance to collision - real(8) :: distance ! distance particle travels - logical :: found_cell ! found cell which particle is in? - type(LocalCoord), pointer, save :: coord => null() -!$omp threadprivate(coord) + integer :: j ! coordinate level + integer :: next_level ! next coordinate level to check + integer :: surface_crossed ! surface which particle is on + integer :: lattice_translation(3) ! in-lattice translation vector + integer :: last_cell ! most recent cell particle was in + integer :: n_event ! number of collisions/crossings + real(8) :: d_boundary ! distance to nearest boundary + real(8) :: d_collision ! sampled distance to collision + real(8) :: distance ! distance particle travels + logical :: found_cell ! found cell which particle is in? ! Display message if high verbosity or trace is on if (verbosity >= 9 .or. trace) then @@ -46,7 +47,7 @@ contains ! If the cell hasn't been determined based on the particle's location, ! initiate a search for the current cell - if (p % coord % cell == NONE) then + if (p % coord(p % n_coord) % cell == NONE) then call find_cell(p, found_cell) ! Particle couldn't be located @@ -55,7 +56,7 @@ contains end if ! set birth cell attribute - p % cell_born = p % coord % cell + p % cell_born = p % coord(p % n_coord) % cell end if ! Initialize number of events to zero @@ -87,7 +88,8 @@ contains if (p % material /= p % last_material) call calculate_xs(p) ! Find the distance to the nearest boundary - call distance_to_boundary(p, d_boundary, surface_crossed, lattice_crossed) + call distance_to_boundary(p, d_boundary, surface_crossed, & + lattice_translation, next_level) ! Sample a distance to collision if (material_xs % total == ZERO) then @@ -100,10 +102,8 @@ contains distance = min(d_boundary, d_collision) ! Advance particle - coord => p % coord0 - do while (associated(coord)) - coord % xyz = coord % xyz + distance * coord % uvw - coord => coord % next + do j = 1, p % n_coord + p % coord(j) % xyz = p % coord(j) % xyz + distance * p % coord(j) % uvw end do ! Score track-length tallies @@ -111,21 +111,22 @@ contains call score_tracklength_tally(p, distance) ! Score track-length estimate of k-eff -!$omp atomic - global_tallies(K_TRACKLENGTH) % value = & - global_tallies(K_TRACKLENGTH) % value + p % wgt * distance * & - material_xs % nu_fission + if (run_mode == MODE_EIGENVALUE) then + global_tally_tracklength = global_tally_tracklength + p % wgt * & + distance * material_xs % nu_fission + end if if (d_collision > d_boundary) then ! ==================================================================== ! PARTICLE CROSSES SURFACE - last_cell = p % coord % cell - p % coord % cell = NONE - if (lattice_crossed /= NONE) then + if (next_level > 0) p % n_coord = next_level + last_cell = p % coord(p % n_coord) % cell + p % coord(p % n_coord) % cell = NONE + if (any(lattice_translation /= 0)) then ! Particle crosses lattice boundary p % surface = NONE - call cross_lattice(p, lattice_crossed) + call cross_lattice(p, lattice_translation) p % event = EVENT_LATTICE else ! Particle crosses surface @@ -138,10 +139,10 @@ contains ! PARTICLE HAS COLLISION ! Score collision estimate of keff -!$omp atomic - global_tallies(K_COLLISION) % value = & - global_tallies(K_COLLISION) % value + p % wgt * & - material_xs % nu_fission / material_xs % total + if (run_mode == MODE_EIGENVALUE) then + global_tally_collision = global_tally_collision + p % wgt * & + material_xs % nu_fission / material_xs % total + end if ! score surface current tallies -- this has to be done before the collision ! since the direction of the particle will change and we need to use the @@ -168,7 +169,7 @@ contains p % fission = .false. ! Save coordinates for tallying purposes - p % last_xyz = p % coord0 % xyz + p % last_xyz = p % coord(1) % xyz ! Set last material to none since cross sections will need to be ! re-evaluated @@ -176,19 +177,15 @@ contains ! Set all uvws to base level -- right now, after a collision, only the ! base level uvws are changed - coord => p % coord0 - do while(associated(coord % next)) - if (coord % next % rotated) then + do j = 1, p % n_coord - 1 + if (p % coord(j + 1) % rotated) then ! If next level is rotated, apply rotation matrix - coord % next % uvw = matmul(cells(coord % cell) % & - rotation, coord % uvw) + p % coord(j + 1) % uvw = matmul(cells(p % coord(j) % cell) % & + rotation_matrix, p % coord(j) % uvw) else ! Otherwise, copy this level's direction - coord % next % uvw = coord % uvw + p % coord(j + 1) % uvw = p % coord(j) % uvw end if - - ! Advance coordinate level - coord => coord % next end do end if diff --git a/src/trigger.F90 b/src/trigger.F90 new file mode 100644 index 0000000000..4a16cd5cab --- /dev/null +++ b/src/trigger.F90 @@ -0,0 +1,551 @@ +module trigger + +#ifdef MPI + use message_passing +#endif + + use constants + use global + use string, only: to_str + use output, only: warning, write_message + use mesh, only: mesh_indices_to_bin + use trigger_header, only: TriggerObject + use tally, only: TallyObject + + implicit none + +contains + +!=============================================================================== +! CHECK_TRIGGERS checks any user-specified precision triggers' for convergence +! and predicts the number of remainining batches to convergence. +!=============================================================================== + + subroutine check_triggers() + + implicit none + + ! Variables to reflect distance to trigger convergence criteria + real(8) :: max_ratio ! max uncertainty/thresh ratio + integer :: tally_id ! id for tally with max ratio + character(len=52) :: name ! "eigenvalue" or tally score + + integer :: n_pred_batches ! predicted # batches to satisfy all triggers + + ! Checks if current_batch is one for which the triggers must be checked + if (current_batch < n_batches .or. (.not. trigger_on)) return + if (mod((current_batch - n_batches), n_batch_interval) /= 0 .and. & + current_batch /= n_max_batches) return + + ! Check the trigger and output the result + call check_tally_triggers(max_ratio, tally_id, name) + + ! When trigger threshold is reached, write information + if (satisfy_triggers) then + call write_message("Triggers satisfied for batch " // & + trim(to_str(current_batch))) + + ! When trigger is not reached write convergence info for user + elseif (name == "eigenvalue") then + call write_message("Triggers unsatisfied, max unc./thresh. is " // & + trim(to_str(max_ratio)) // " for " // trim(name)) + else + call write_message("Triggers unsatisfied, max unc./thresh. is " // & + trim(to_str(max_ratio)) // " for " // trim(name) // & + " in tally " // trim(to_str(tally_id))) + end if + + ! If batch_interval is not set, estimate batches till triggers are satisfied + if (pred_batches .and. .not. satisfy_triggers) then + + ! Estimate the number of remaining batches to convergence + ! The prediction uses the fact that tally variances are proportional + ! to 1/N where N is the number of the batches/particles + n_batch_interval = int((current_batch-n_inactive) * & + (max_ratio ** 2)) + n_inactive-n_batches + 1 + n_pred_batches = n_batch_interval + n_batches + + ! Write the predicted number of batches for the user + if (n_pred_batches > n_max_batches) then + call warning("The estimated number of batches is " // & + trim(to_str(n_pred_batches)) // & + " -- greater than max batches. ") + else + call write_message("The estimated number of batches is " // & + trim(to_str(n_pred_batches))) + end if + end if + end subroutine check_triggers + + +!=============================================================================== +! CHECK_TALLY_TRIGGERS checks whether uncertainties are below the threshold, +! and finds the maximum uncertainty/threshold ratio for all triggers +!=============================================================================== + + subroutine check_tally_triggers(max_ratio, tally_id, name) + + ! Variables to reflect distance to trigger convergence criteria + real(8), intent(inout) :: max_ratio ! max uncertainty/thresh ratio + integer, intent(inout) :: tally_id ! id for tally with max ratio + character(len=52), intent(inout) :: name ! "eigenvalue" or tally score + + integer :: i ! index in tallies array + integer :: j ! level in tally hierarchy + integer :: n ! loop index for nuclides + integer :: s ! loop index for triggers + integer :: filter_index ! index in results array for filters + integer :: score_index ! scoring bin index + integer :: n_order ! loop index for moment orders + integer :: nm_order ! loop index for Ynm moment orders + real(8) :: uncertainty ! trigger uncertainty + real(8) :: std_dev = ZERO ! trigger standard deviation + real(8) :: rel_err = ZERO ! trigger relative error + real(8) :: ratio ! ratio of the uncertainty/trigger threshold + type(TallyObject), pointer :: t ! tally pointer + type(TriggerObject), pointer :: trigger ! tally trigger + + ! Initialize tally trigger maximum uncertainty ratio to zero + max_ratio = 0 + + if (master) then + + ! By default, assume all triggers are satisfied + satisfy_triggers = .true. + + ! Check eigenvalue trigger + if (run_mode == MODE_EIGENVALUE) then + if (keff_trigger % trigger_type /= 0) then + select case (keff_trigger % trigger_type) + case(VARIANCE) + uncertainty = k_combined(2) ** 2 + case(STANDARD_DEVIATION) + uncertainty = k_combined(2) + case default + uncertainty = k_combined(2) / k_combined(1) + end select + + ! If uncertainty is above threshold, store uncertainty ratio + if (uncertainty > keff_trigger % threshold) then + satisfy_triggers = .false. + if (keff_trigger % trigger_type == VARIANCE) then + ratio = sqrt(uncertainty / keff_trigger % threshold) + else + ratio = uncertainty / keff_trigger % threshold + end if + if (max_ratio < ratio) then + max_ratio = ratio + name = "eigenvalue" + end if + end if + end if + end if + + ! Compute uncertainties for all tallies, scores with triggers + TALLY_LOOP: do i = 1, n_tallies + t => tallies(i) + + ! Cycle through if only one batch has been simumlate + if (t % n_realizations == 1) then + cycle TALLY_LOOP + end if + + TRIGGER_LOOP: do s = 1, t % n_triggers + trigger => t % triggers(s) + + ! Initialize trigger uncertainties to zero + trigger % std_dev = ZERO + trigger % rel_err = ZERO + trigger % variance = ZERO + + ! Surface current tally triggers require special treatment + if (t % type == TALLY_SURFACE_CURRENT) then + call compute_tally_current(t, trigger) + + else + + ! Initialize bins, filter level + matching_bins(1:t % n_filters) = 0 + j = 1 + + ! Find filter index + FILTER_LOOP: do + find_bin: do + if (t % n_filters == 0) exit find_bin + matching_bins(j) = matching_bins(j) + 1 + if (matching_bins(j) > t % filters(j) % n_bins) then + if (j == 1) exit FILTER_LOOP + matching_bins(j) = 0 + j = j - 1 + else + if (j == t % n_filters) exit find_bin + end if + end do find_bin + + if (t % n_filters > 0) then + filter_index = sum((max(matching_bins(1:t%n_filters),1) - 1) * & + t % stride) + 1 + else + filter_index = 1 + end if + + ! Initialize score index + score_index = trigger % score_index + + ! Initialize score bin index + NUCLIDE_LOOP: do n = 1, t % n_nuclide_bins + + select case(t % score_bins(trigger % score_index)) + + case (SCORE_SCATTER_PN, SCORE_NU_SCATTER_PN) + + score_index = score_index - 1 + + do n_order = 0, t % moment_order(trigger % score_index) + score_index = score_index + 1 + + call get_trigger_uncertainty(std_dev, rel_err, & + score_index, filter_index, t) + + if (trigger % variance < variance) then + trigger % variance = std_dev ** 2 + end if + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + + end do + + case (SCORE_SCATTER_YN, SCORE_NU_SCATTER_YN, SCORE_FLUX_YN, & + SCORE_TOTAL_YN) + + score_index = score_index - 1 + + do n_order = 0, t % moment_order(trigger % score_index) + do nm_order = -n_order, n_order + score_index = score_index + 1 + + call get_trigger_uncertainty(std_dev, rel_err, & + score_index, filter_index, t) + + if (trigger % variance < variance) then + trigger % variance = std_dev ** 2 + end if + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + + end do + end do + + case default + call get_trigger_uncertainty(std_dev, rel_err, & + score_index, filter_index, t) + + if (trigger % variance < variance) then + trigger % variance = std_dev ** 2 + end if + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + + end select + + select case (t % triggers(s) % type) + case(VARIANCE) + uncertainty = trigger % variance + case(STANDARD_DEVIATION) + uncertainty = trigger % std_dev + case default + uncertainty = trigger % rel_err + end select + + if (uncertainty > t % triggers(s) % threshold) then + satisfy_triggers = .false. + + if (t % triggers(s) % type == VARIANCE) then + ratio = sqrt(uncertainty / t % triggers(s) % threshold) + else + ratio = uncertainty / t % triggers(s) % threshold + end if + + if (max_ratio < ratio) then + max_ratio = ratio + name = t % triggers(s) % score_name + tally_id = t % id + end if + end if + end do NUCLIDE_LOOP + if (t % n_filters == 0) exit FILTER_LOOP + end do FILTER_LOOP + end if + end do TRIGGER_LOOP + end do TALLY_LOOP + end if + end subroutine check_tally_triggers + + +!=============================================================================== +! COMPUTE_TALLY_CURRENT computes the current for a surface current tally with +! precision trigger(s). +!=============================================================================== + + subroutine compute_tally_current(t, trigger) + + integer :: i ! mesh index for x + integer :: j ! mesh index for y + integer :: k ! mesh index for z + integer :: l ! index for energy + integer :: i_filter_mesh ! index for mesh filter + integer :: i_filter_ein ! index for incoming energy filter + integer :: i_filter_surf ! index for surface filter + integer :: n ! number of incoming energy bins + integer :: filter_index ! index in results array for filters + logical :: print_ebin ! should incoming energy bin be displayed? + real(8) :: rel_err = ZERO ! temporary relative error of result + real(8) :: std_dev = ZERO ! temporary standard deviration of result + type(TallyObject), pointer :: t ! surface current tally + type(TriggerObject) :: trigger ! surface current tally trigger + type(StructuredMesh), pointer :: m ! surface current mesh + + ! Get pointer to mesh + i_filter_mesh = t % find_filter(FILTER_MESH) + i_filter_surf = t % find_filter(FILTER_SURFACE) + m => meshes(t % filters(i_filter_mesh) % int_bins(1)) + + ! initialize bins array + matching_bins(1:t % n_filters) = 1 + + ! determine how many energyin bins there are + i_filter_ein = t % find_filter(FILTER_ENERGYIN) + if (i_filter_ein > 0) then + print_ebin = .true. + n = t % filters(i_filter_ein) % n_bins + else + print_ebin = .false. + n = 1 + end if + + do i = 1, m % dimension(1) + do j = 1, m % dimension(2) + do k = 1, m % dimension(3) + do l = 1, n + + if (print_ebin) then + matching_bins(i_filter_ein) = l + end if + + ! Left Surface + matching_bins(i_filter_mesh) = & + mesh_indices_to_bin(m, (/ i-1, j, k /) + 1, .true.) + matching_bins(i_filter_surf) = IN_RIGHT + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = std_dev**2 + + matching_bins(i_filter_surf) = OUT_RIGHT + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = trigger % std_dev**2 + + ! Right Surface + matching_bins(i_filter_mesh) = & + mesh_indices_to_bin(m, (/ i, j, k /) + 1, .true.) + matching_bins(i_filter_surf) = IN_RIGHT + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = trigger % std_dev**2 + + matching_bins(i_filter_surf) = OUT_RIGHT + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = trigger % std_dev**2 + + ! Back Surface + matching_bins(i_filter_mesh) = & + mesh_indices_to_bin(m, (/ i, j-1, k /) + 1, .true.) + matching_bins(i_filter_surf) = IN_FRONT + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = trigger % std_dev**2 + + + matching_bins(i_filter_surf) = OUT_FRONT + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = trigger % std_dev**2 + + ! Front Surface + matching_bins(i_filter_mesh) = & + mesh_indices_to_bin(m, (/ i, j, k /) + 1, .true.) + matching_bins(i_filter_surf) = IN_FRONT + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = trigger % std_dev**2 + + matching_bins(i_filter_surf) = OUT_FRONT + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = trigger % std_dev**2 + + ! Bottom Surface + matching_bins(i_filter_mesh) = & + mesh_indices_to_bin(m, (/ i, j, k-1 /) + 1, .true.) + matching_bins(i_filter_surf) = IN_TOP + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = trigger % std_dev**2 + + matching_bins(i_filter_surf) = OUT_TOP + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = trigger % std_dev**2 + + ! Top Surface + matching_bins(i_filter_mesh) = & + mesh_indices_to_bin(m, (/ i, j, k /) + 1, .true.) + matching_bins(i_filter_surf) = IN_TOP + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = trigger % std_dev**2 + + matching_bins(i_filter_surf) = OUT_TOP + filter_index = & + sum((matching_bins(1:t % n_filters) - 1) * t % stride) + 1 + call get_trigger_uncertainty(std_dev, rel_err, 1, filter_index, t) + if (trigger % std_dev < std_dev) then + trigger % std_dev = std_dev + end if + if (trigger % rel_err < rel_err) then + trigger % rel_err = rel_err + end if + trigger % variance = trigger % std_dev**2 + + end do + + end do + end do + end do + + end subroutine compute_tally_current + +!=============================================================================== +! GET_TRIGGER_UNCERTAINTY computes the standard deviation and relative error +! for a single tally bin for CHECK_TALLY_TRIGGERS. +!=============================================================================== + + subroutine get_trigger_uncertainty(std_dev, rel_err, score_index, & + filter_index, t) + + real(8), intent(inout) :: std_dev ! tally standard deviation + real(8), intent(inout) :: rel_err ! tally relative error + integer, intent(in) :: score_index ! tally results score index + integer, intent(in) :: filter_index ! tally results filter index + integer :: n ! number of realizations + real(8) :: mean ! tally mean + type(TallyResult) :: tally_result ! pointer to TallyResult + type(TallyObject), pointer :: t ! tally pointer + + n = t % n_realizations + tally_result = t % results(score_index, filter_index) + + ! Compute the tally mean and standard deviation + mean = tally_result % sum / n + std_dev = sqrt((tally_result % sum_sq / n - mean * mean) / (n - 1)) + + ! Compute the relative error if the mean is non-zero + if (mean == ZERO) then + rel_err = ZERO + else + rel_err = std_dev / mean + end if + + end subroutine get_trigger_uncertainty + +end module trigger diff --git a/src/trigger_header.F90 b/src/trigger_header.F90 new file mode 100644 index 0000000000..e137829bd0 --- /dev/null +++ b/src/trigger_header.F90 @@ -0,0 +1,29 @@ +module trigger_header + + use constants, only: NONE, N_FILTER_TYPES + + implicit none + +!=============================================================================== +! TRIGGEROBJECT stores the variance, relative error and standard deviation +! for some user-specified trigger. +!=============================================================================== + type TriggerObject + integer :: type ! "variance", "std_dev" or "rel_err" + real(8) :: threshold ! a convergence threshold + character(len=52) :: score_name ! the name of the score + integer :: score_index ! the index of the score + real(8) :: variance=0.0 ! temp variance container + real(8) :: std_dev =0.0 ! temp std. dev. container + real(8) :: rel_err =0.0 ! temp rel. err. container + end type TriggerObject + +!=============================================================================== +! KTRIGGER describes a user-specified precision trigger for k-effective +!=============================================================================== + type KTrigger + integer :: trigger_type = 0 + real(8) :: threshold = 0 + end type KTrigger + +end module trigger_header diff --git a/src/utils/geometry.py b/src/utils/geometry.py deleted file mode 100644 index b7f5d3224f..0000000000 --- a/src/utils/geometry.py +++ /dev/null @@ -1,48 +0,0 @@ -#!/usr/bin/env python2 - -from xml.dom.minidom import parse - - -class Geometry(object): - - def __init__(self, filename): - dom = parse(filename) - rootElement = dom.firstChild - - cells = rootElement.getElementsByTagName('cell') - surfaces = rootElement.getElementsByTagName('surfaces') - lattices = rootElement.getElementsByTagName('lattices') - - self.cells = [Cell(elem) for elem in cells] - self.surfaces = [Surface(elem) for elem in surfaces] - self.lattices = [Lattice(elem) for elem in lattices] - - -class Cell(object): - - def __init__(self, domElement): - self.parse(domElement) - - def parse(self, element): - for attribute in ['uid', 'universe', 'fill', 'material', 'surfaces']: - if element.hasAttribute(attribute): - setattr(self, attribute, element.getAttribute(attribute)) - - # Split strings into lists where necessary - if hasattr(self, 'surfaces'): - self.surfaces = self.surfaces.split() - - -class Surface(object): - - def __init__(self, domElement): - self.parse(domElement) - - def parse(self, element): - for attribute in ['uid', 'type', 'coeffs', 'boundary']: - if element.hasAttribute(attribute): - setattr(self, attribute, element.getAttribute(attribute)) - - # Split strings into lists where necessary - if hasattr(self, 'coeffs'): - self.surfaces = self.surfaces.split() diff --git a/src/utils/setup.py b/src/utils/setup.py deleted file mode 100644 index 4c2f1ae246..0000000000 --- a/src/utils/setup.py +++ /dev/null @@ -1,11 +0,0 @@ -#!/usr/bin/env python - -from distutils.core import setup - -setup(name='statepoint', - version='0.6.1', - description='OpenMC StatePoint', - author='Paul Romano', - author_email='paul.k.romano@gmail.com', - url='https://github.com/mit-crpg/openmc', - py_modules=['statepoint']) diff --git a/src/utils/statepoint.py b/src/utils/statepoint.py deleted file mode 100644 index b51b69c3fa..0000000000 --- a/src/utils/statepoint.py +++ /dev/null @@ -1,632 +0,0 @@ -#!/usr/bin/env python2 - -import struct -from collections import OrderedDict - -import numpy as np -import scipy.stats - -REVISION_STATEPOINT = 13 - -filter_types = {1: 'universe', 2: 'material', 3: 'cell', 4: 'cellborn', - 5: 'surface', 6: 'mesh', 7: 'energyin', 8: 'energyout'} - -score_types = {-1: 'flux', - -2: 'total', - -3: 'scatter', - -4: 'nu-scatter', - -5: 'scatter-n', - -6: 'scatter-pn', - -7: 'nu-scatter-n', - -8: 'nu-scatter-pn', - -9: 'transport', - -10: 'n1n', - -11: 'absorption', - -12: 'fission', - -13: 'nu-fission', - -14: 'kappa-fission', - -15: 'current', - -16: 'flux-yn', - -17: 'total-yn', - -18: 'scatter-yn', - -19: 'nu-scatter-yn', - -20: 'events', - 1: '(n,total)', - 2: '(n,elastic)', - 4: '(n,level)', - 11: '(n,2nd)', - 16: '(n,2n)', - 17: '(n,3n)', - 18: '(n,fission)', - 19: '(n,f)', - 20: '(n,nf)', - 21: '(n,2nf)', - 22: '(n,na)', - 23: '(n,n3a)', - 24: '(n,2na)', - 25: '(n,3na)', - 28: '(n,np)', - 29: '(n,n2a)', - 30: '(n,2n2a)', - 32: '(n,nd)', - 33: '(n,nt)', - 34: '(n,nHe-3)', - 35: '(n,nd2a)', - 36: '(n,nt2a)', - 37: '(n,4n)', - 38: '(n,3nf)', - 41: '(n,2np)', - 42: '(n,3np)', - 44: '(n,n2p)', - 45: '(n,npa)', - 91: '(n,nc)', - 101: '(n,disappear)', - 102: '(n,gamma)', - 103: '(n,p)', - 104: '(n,d)', - 105: '(n,t)', - 106: '(n,3He)', - 107: '(n,a)', - 108: '(n,2a)', - 109: '(n,3a)', - 111: '(n,2p)', - 112: '(n,pa)', - 113: '(n,t2a)', - 114: '(n,d2a)', - 115: '(n,pd)', - 116: '(n,pt)', - 117: '(n,da)', - 201: '(n,Xn)', - 202: '(n,Xgamma)', - 203: '(n,Xp)', - 204: '(n,Xd)', - 205: '(n,Xt)', - 206: '(n,X3He)', - 207: '(n,Xa)', - 444: '(damage)', - 649: '(n,pc)', - 699: '(n,dc)', - 749: '(n,tc)', - 799: '(n,3Hec)', - 849: '(n,tc)'} -score_types.update({MT: '(n,n' + str(MT-50) + ')' for MT in range(51,91)}) -score_types.update({MT: '(n,p' + str(MT-600) + ')' for MT in range(600,649)}) -score_types.update({MT: '(n,d' + str(MT-650) + ')' for MT in range(650,699)}) -score_types.update({MT: '(n,t' + str(MT-700) + ')' for MT in range(700,749)}) -score_types.update({MT: '(n,3He' + str(MT-750) + ')' for MT in range(750,649)}) -score_types.update({MT: '(n,a' + str(MT-800) + ')' for MT in range(800,849)}) - -class Mesh(object): - def __init__(self): - pass - - def __repr__(self): - if hasattr(self, "dimension"): - return "".format(tuple(self.dimension)) - else: - return "" - -class Filter(object): - def __init__(self): - self.type = 0 - self.bins = [] - - def __repr__(self): - return "".format(self.type) - -class Tally(object): - def __init__(self): - self.filters = OrderedDict() - - -class SourceSite(object): - def __init__(self): - self.weight = None - self.xyz = None - self.uvw = None - self.E = None - - def __repr__(self): - return "".format(self.xyz, self.E) - - -class StatePoint(object): - def __init__(self, filename): - if filename.endswith('.h5'): - import h5py - self._f = h5py.File(filename, 'r') - self._hdf5 = True - else: - self._f = open(filename, 'rb') - self._hdf5 = False - - # Set flags for what data was read - self._metadata = False - self._results = False - self._source = False - - # Initialize arrays for meshes and tallies - self.meshes = [] - self.tallies = [] - self.source = [] - - # Read all metadata - self._read_metadata() - - def _read_metadata(self): - # Read filetype - self.filetype = self._get_int(path='filetype')[0] - - # Read statepoint revision - self.revision = self._get_int(path='revision')[0] - if self.revision != REVISION_STATEPOINT: - raise Exception('Statepoint Revision is not consistent.') - - # Read OpenMC version - if self._hdf5: - self.version = [self._get_int(path='version_major')[0], - self._get_int(path='version_minor')[0], - self._get_int(path='version_release')[0]] - else: - self.version = self._get_int(3) - - # Read date and time - self.date_and_time = self._get_string(19, path='date_and_time') - - # Read path - self.path = self._get_string(255, path='path').strip() - - # Read random number seed - self.seed = self._get_long(path='seed')[0] - - # Read run information - self.run_mode = self._get_int(path='run_mode')[0] - self.n_particles = self._get_long(path='n_particles')[0] - - # Read current batch - self.current_batch = self._get_int(path='current_batch')[0] - - # Read criticality information - if self.run_mode == 2: - self.n_inactive = self._get_int(path='n_inactive')[0] - self.gen_per_batch = self._get_int(path='gen_per_batch')[0] - self.k_batch = self._get_double( - self.current_batch*self.gen_per_batch, path='k_generation') - self.entropy = self._get_double( - self.current_batch*self.gen_per_batch, path='entropy') - self.k_col_abs = self._get_double(path='k_col_abs')[0] - self.k_col_tra = self._get_double(path='k_col_tra')[0] - self.k_abs_tra = self._get_double(path='k_abs_tra')[0] - self.k_combined = self._get_double(2, path='k_combined') - - # Read CMFD information - cmfd_present = self._get_int(path='cmfd_on')[0] - if cmfd_present == 1: - self.cmfd_indices = self._get_int(4, path='cmfd/indices') - self.k_cmfd = self._get_double(self.current_batch, - path='cmfd/k_cmfd') - self.cmfd_src = self._get_double_array(np.product(self.cmfd_indices), - path='cmfd/cmfd_src') - self.cmfd_src = np.reshape(self.cmfd_src, - tuple(self.cmfd_indices), order='F') - self.cmfd_entropy = self._get_double(self.current_batch, - path='cmfd/cmfd_entropy') - self.cmfd_balance = self._get_double(self.current_batch, - path='cmfd/cmfd_balance') - self.cmfd_dominance = self._get_double(self.current_batch, - path='cmfd/cmfd_dominance') - self.cmfd_srccmp = self._get_double(self.current_batch, - path='cmfd/cmfd_srccmp') - - # Read number of meshes - n_meshes = self._get_int(path='tallies/n_meshes')[0] - - # Read meshes - for i in range(n_meshes): - m = Mesh() - self.meshes.append(m) - - base = 'tallies/mesh' + str(i+1) + '/' - - # Read id, mesh type, and number of dimensions - m.id = self._get_int(path=base+'id')[0] - m.type = self._get_int(path=base+'type')[0] - n = self._get_int(path=base+'n_dimension')[0] - - # Read mesh size, lower-left coordinates, upper-right coordinates, - # and width of each mesh cell - m.dimension = self._get_int(n, path=base+'dimension') - m.lower_left = self._get_double(n, path=base+'lower_left') - m.upper_right = self._get_double(n, path=base+'upper_right') - m.width = self._get_double(n, path=base+'width') - - # Read number of tallies - n_tallies = self._get_int(path='tallies/n_tallies')[0] - - for i in range(n_tallies): - # Create Tally object and add to list of tallies - t = Tally() - self.tallies.append(t) - - base = 'tallies/tally' + str(i+1) + '/' - - # Read id and number of realizations - t.id = self._get_int(path=base+'id')[0] - t.n_realizations = self._get_int(path=base+'n_realizations')[0] - - # Read sizes of tallies - t.total_score_bins = self._get_int(path=base+'total_score_bins')[0] - t.total_filter_bins = self._get_int(path=base+'total_filter_bins')[0] - - # Read number of filters - n_filters = self._get_int(path=base+'n_filters')[0] - - for j in range(n_filters): - # Create Filter object - f = Filter() - - base = 'tallies/tally{0}/filter{1}/'.format(i+1, j+1) - - # Get type of filter - f.type = filter_types[self._get_int(path=base+'type')[0]] - - # Add to filter dictionary - t.filters[f.type] = f - - # Determine how many bins are in this filter - f.length = self._get_int(path=base+'n_bins')[0] - assert f.length > 0 - if f.type == 'energyin' or f.type == 'energyout': - f.bins = self._get_double(f.length + 1, path=base+'bins') - elif f.type == 'mesh': - f.bins = self._get_int(path=base+'bins') - else: - f.bins = self._get_int(f.length, path=base+'bins') - - base = 'tallies/tally' + str(i+1) + '/' - - # Read nuclide bins - n_nuclides = self._get_int(path=base+'n_nuclide_bins')[0] - t.n_nuclides = n_nuclides - t.nuclides = self._get_int(n_nuclides, path=base+'nuclide_bins') - - # Read score bins and scattering order - t.n_scores = self._get_int(path=base+'n_score_bins')[0] - t.scores = [score_types[j] for j in self._get_int( - t.n_scores, path=base+'score_bins')] - t.moment_order = self._get_int(t.n_scores, path=base+'moment_order') - - # Read number of user score bins - t.n_user_scores = self._get_int(path=base+'n_user_score_bins')[0] - - # Set up stride - stride = 1 - for f in list(t.filters.values())[::-1]: - f.stride = stride - stride *= f.length - - # Source bank present - source_present = self._get_int(path='source_present')[0] - if source_present == 1: - self.source_present = True - else: - self.source_present = False - - # Set flag indicating metadata has already been read - self._metadata = True - - def read_results(self): - # Check whether metadata has been read - if not self._metadata: - self._read_metadata() - - # Number of realizations for global tallies - self.n_realizations = self._get_int(path='n_realizations')[0] - - # Read global tallies - n_global_tallies = self._get_int(path='n_global_tallies')[0] - if self._hdf5: - data = self._f['global_tallies'].value - self.global_tallies = np.column_stack((data['sum'], data['sum_sq'])) - else: - self.global_tallies = np.array(self._get_double(2*n_global_tallies)) - self.global_tallies.shape = (n_global_tallies, 2) - - # Flag indicating if tallies are present - tallies_present = self._get_int(path='tallies/tallies_present')[0] - - # Read tally results - if tallies_present: - for i, t in enumerate(self.tallies): - n = t.total_score_bins * t.total_filter_bins - if self._hdf5: - path = 'tallies/tally{0}/results'.format(i+1) - data = self._f[path].value - t.results = np.column_stack((data['sum'], data['sum_sq'])) - t.results.shape = (t.total_filter_bins, t.total_score_bins, 2) - else: - t.results = np.array(self._get_double(2*n)) - t.results.shape = (t.total_filter_bins, t.total_score_bins, 2) - - # Indicate that tally results have been read - self._results = True - - def read_source(self): - # Check whether tally results have been read - if not self._results: - self.read_results() - - # Check if source bank is in statepoint - if not self.source_present: - print('Source not in statepoint file.') - return - - # For HDF5 state points, copy entire bank - if self._hdf5: - source_sites = self._f['source_bank'].value - - for i in range(self.n_particles): - s = SourceSite() - self.source.append(s) - - # Read position, angle, and energy - if self._hdf5: - s.weight, s.xyz, s.uvw, s.E = source_sites[i] - else: - s.weight = self._get_double()[0] - s.xyz = self._get_double(3) - s.uvw = self._get_double(3) - s.E = self._get_double()[0] - - def generate_ci(self, confidence=0.95): - """Calculates confidence intervals for each tally bin.""" - - # Determine number of realizations - n = self.n_realizations - - # Determine significance level and percentile for two-sided CI - alpha = 1 - confidence - percentile = 1 - alpha/2 - - # Calculate t-value - t_value = scipy.stats.t.ppf(percentile, n - 1) - self.generate_stdev(t_value) - - def generate_stdev(self, t_value=1.0): - """ - Calculates the sample mean and standard deviation of the mean for each - tally bin. - """ - - # Determine number of realizations - n = self.n_realizations - - # Global tallies - for i in range(len(self.global_tallies)): - # Get sum and sum of squares - s, s2 = self.global_tallies[i] - - # Calculate sample mean and replace value - s /= n - self.global_tallies[i,0] = s - - # Calculate standard deviation - if s != 0.0: - self.global_tallies[i,1] = t_value*np.sqrt((s2/n - s*s)/(n-1)) - - # Regular tallies - for t in self.tallies: - for i in range(t.results.shape[0]): - for j in range(t.results.shape[1]): - # Get sum and sum of squares - s, s2 = t.results[i,j] - - # Calculate sample mean and replace value - s /= n - t.results[i,j,0] = s - - # Calculate standard deviation - if s != 0.0: - t.results[i,j,1] = t_value*np.sqrt((s2/n - s*s)/(n-1)) - - def get_value(self, tally_index, spec_list, score_index): - """Returns a tally score given a list of filters to satisfy. - - Parameters - ---------- - tally_index : int - Index for tally in StatePoint.tallies list - - spec_list : list - A list of tuples where the first value in each tuple is the filter - type, e.g. 'cell', and the second value is the desired index. If the - first value in the tuple is 'mesh', the second value should be a - tuple with three integers specifying the mesh indices. - - Example: [('cell', 1), ('mesh', (14,17,20)), ('energyin', 2)] - - score_index : int - Index corresponding to score for tally, i.e. the second index in - Tally.results[:,:,:]. - - """ - - # Get Tally object given the index - t = self.tallies[tally_index] - - # Initialize index for filter in Tally.results[:,:,:] - filter_index = 0 - - # Loop over specified filters in spec_list - for f_type, f_index in spec_list: - - # Treat mesh filter separately - if f_type == 'mesh': - # Get index in StatePoint.meshes - mesh_index = t.filters['mesh'].bins[0] - 1 - - # Get dimensions of corresponding mesh - nx, ny, nz = self.meshes[mesh_index].dimension - - # Convert (x,y,z) to a single bin -- this is similar to - # subroutine mesh_indices_to_bin in openmc/src/mesh.F90. - value = ((f_index[0] - 1)*ny*nz + - (f_index[1] - 1)*nz + - (f_index[2] - 1)) - filter_index += value*t.filters[f_type].stride - else: - filter_index += f_index*t.filters[f_type].stride - - # Return the desired result from Tally.results. This could be the sum and - # sum of squares, or it could be mean and stdev if self.generate_stdev() - # has been called already. - return t.results[filter_index, score_index] - - def extract_results(self, tally_id, score_str): - """Returns a tally results dictionary given a tally_id and score string. - - Parameters - ---------- - tally_id : int - Index for the tally in StatePoint.tallies list - - score_str : string - Corresponds to the string entered for a score in tallies.xml. - For a flux score extraction it would be 'score' - - """ - - # get tally - try: - tally = self.tallies[tally_id-1] - except: - print('Tally does not exist') - return - - # get the score index if it is present - try: - idx = tally.scores.index(score_str) - except ValueError: - print('Score does not exist') - print(tally.scores) - return - - # create numpy array for mean and 95% CI - n_bins = len(tally.results) - n_filters = len(tally.filters) - n_scores = len(tally.scores) - meanv = np.zeros(n_bins) - unctv = np.zeros(n_bins) - filters = np.zeros((n_bins,n_filters)) - filtmax = np.zeros(n_filters+1) - meshmax = np.zeros(4) - filtmax[0] = 1 - meshmax[0] = 1 - - # get number of realizations - n = tally.n_realizations - - # get t-value - t_value = scipy.stats.t.ppf(0.975, n - 1) - - # calculate mean - meanv = tally.results[:,idx,0] - meanv = meanv / n - - # calculate 95% two-sided CI - unctv = tally.results[:,idx,1] - unctv = t_value*np.sqrt((unctv/n - meanv*meanv)/(n-1))/meanv - - # create output dictionary - data = {'mean':meanv,'CI95':unctv} - - # get bounds of filter bins - for akey in tally.filters.keys(): - idx = list(tally.filters.keys()).index(akey) - filtmax[n_filters - idx] = tally.filters[akey].length - - # compute bin info - for i in range(n_filters): - - # compute indices for filter combination - filters[:,n_filters - i - 1] = np.floor((np.arange(n_bins) % - np.prod(filtmax[0:i+2]))/(np.prod(filtmax[0:i+1]))) + 1 - - # append in dictionary bin with filter - data.update({list(tally.filters.keys())[n_filters - i - 1]: - filters[:,n_filters - i - 1]}) - - # check for mesh - if list(tally.filters.keys())[n_filters - i - 1] == 'mesh': - dims = list(self.meshes[tally.filters['mesh'].bins[0] - 1].dimension) - dims.reverse() - dims = np.asarray(dims) - if score_str == 'current': - dims += 1 - meshmax[1:4] = dims - mesh_bins = np.zeros((n_bins,3)) - mesh_bins[:,2] = np.floor(((filters[:,n_filters - i - 1] - 1) % - np.prod(meshmax[0:2]))/(np.prod(meshmax[0:1]))) + 1 - mesh_bins[:,1] = np.floor(((filters[:,n_filters - i - 1] - 1) % - np.prod(meshmax[0:3]))/(np.prod(meshmax[0:2]))) + 1 - mesh_bins[:,0] = np.floor(((filters[:,n_filters - i - 1] - 1) % - np.prod(meshmax[0:4]))/(np.prod(meshmax[0:3]))) + 1 - data.update({'mesh': list(zip(mesh_bins[:,0], mesh_bins[:,1], - mesh_bins[:,2]))}) - i += 1 - - # add in maximum bin filters and order - b = list(tally.filters.keys()) - b.reverse() - filtmax = list(filtmax[1:]) - try: - idx = b.index('mesh') - filtmax[idx] = np.max(mesh_bins[:,2]) - filtmax.insert(idx,np.max(mesh_bins[:,1])) - filtmax.insert(idx,np.max(mesh_bins[:,0])) - - except ValueError: - pass - data.update({'bin_order':b,'bin_max':filtmax}) - - return data - - def _get_data(self, n, typeCode, size): - return list(struct.unpack('={0}{1}'.format(n,typeCode), - self._f.read(n*size))) - - def _get_int(self, n=1, path=None): - if self._hdf5: - return [int(v) for v in self._f[path].value] - else: - return [int(v) for v in self._get_data(n, 'i', 4)] - - def _get_long(self, n=1, path=None): - if self._hdf5: - return [int(v) for v in self._f[path].value] - else: - return [int(v) for v in self._get_data(n, 'q', 8)] - - def _get_float(self, n=1, path=None): - if self._hdf5: - return [float(v) for v in self._f[path].value] - else: - return [float(v) for v in self._get_data(n, 'f', 4)] - - def _get_double(self, n=1, path=None): - if self._hdf5: - return [float(v) for v in self._f[path].value] - else: - return [float(v) for v in self._get_data(n, 'd', 8)] - - def _get_double_array(self, n=1, path=None): - if self._hdf5: - return self._f[path].value - else: - return self._get_data(n, 'd', 8) - - def _get_string(self, n=1, path=None): - if self._hdf5: - return str(self._f[path].value) - else: - return str(self._get_data(n, 's', 1)[0]) diff --git a/src/utils/statepoint_cmp.py b/src/utils/statepoint_cmp.py deleted file mode 100755 index 0e3d8a94f6..0000000000 --- a/src/utils/statepoint_cmp.py +++ /dev/null @@ -1,86 +0,0 @@ -#!/usr/bin/env python - -import sys - -from numpy.testing import assert_allclose, assert_equal - -from statepoint import StatePoint - -if len(sys.argv) > 2: - path1 = sys.argv[1] - path2 = sys.argv[2] -else: - raise - -# Create StatePoint objects -sp1 = StatePoint(path1) -sp2 = StatePoint(path2) - -# Read tally results -sp1.read_results() -sp2.read_results() - -# Compare header information -assert sp1.revision == sp2.revision -assert sp1.version == sp2.version -assert sp1.seed == sp2.seed -assert sp1.run_mode == sp2.run_mode -assert sp1.n_particles == sp2.n_particles -assert sp1.n_batches == sp2.n_batches - -if sp1.run_mode == 2: - # Compare criticality information - assert sp1.n_inactive == sp2.n_inactive - assert sp1.gen_per_batch == sp2.gen_per_batch - assert sp1.current_batch == sp2.current_batch - - # Compare keff results - assert_allclose(sp1.k_batch, sp2.k_batch) - - # Compare entropy results - assert_allclose(sp1.entropy, sp2.entropy) - -# Compare global tallies -assert_allclose(sp1.global_tallies, sp2.global_tallies) - -# Compare meshes -assert len(sp1.meshes) == len(sp2.meshes) -for m1, m2 in zip(sp1.meshes, sp2.meshes): - assert m1.type == m2.type - assert_equal(m1.dimension, m2.dimension) - assert_equal(m1.lower_left, m2.lower_left) - assert_equal(m1.upper_right, m2.upper_right) - assert_equal(m1.width, m2.width) - -# Compare tallies -assert len(sp1.tallies) == len(sp2.tallies) -for t1, t2 in zip(sp1.tallies, sp2.tallies): - # Compare size of tallies - assert t1.total_score_bins == t2.total_score_bins - assert t1.total_filter_bins == t2.total_filter_bins - - # Compare filters - assert len(t1.filters) == len(t2.filters) - for f1, f2 in zip(t1.filters.values(), t2.filters.values()): - assert f1.type == f2.type - assert f1.length == f2.length - assert_equal(f1.bins, f2.bins) - - # Compare nuclide and score bins - assert_equal(t1.nuclides, t2.nuclides) - assert_equal(t1.scores, t2.scores) - - # Compare tally results - assert_allclose(t1.results, t2.results) - -# If criticality, compare source sites -if sp1.run_mode == 2: - sp1.read_source() - sp2.read_source() - - assert len(sp1.source) == len(sp2.source) - for s1, s2 in zip(sp1.source, sp2.source): - assert s1.weight == s2.weight - assert_allclose(s1.xyz, s2.xyz) - assert_allclose(s1.uvw, s2.uvw) - assert s1.E == s2.E diff --git a/src/utils/statepoint_histogram.py b/src/utils/statepoint_histogram.py deleted file mode 100755 index e16d368dfb..0000000000 --- a/src/utils/statepoint_histogram.py +++ /dev/null @@ -1,72 +0,0 @@ -#!/usr/bin/env python - -from __future__ import print_function -from sys import argv -from math import sqrt - -import numpy as np -import scipy.stats -import matplotlib.pyplot as plt - -from statepoint import StatePoint - -# Get filename -filename = argv[1] - -# Determine axial level -axial_level = int(argv[2]) if len(argv) > 2 else 1 -score = int(argv[3]) if len(argv) > 3 else 1 - -# Create StatePoint object -sp = StatePoint(filename) - -# Read number of realizations for global tallies -sp.n_realizations = sp._get_int()[0] - -# Read global tallies -n_global_tallies = sp._get_int()[0] -sp.global_tallies = np.array(sp._get_double(2*n_global_tallies)) -sp.global_tallies.shape = (n_global_tallies, 2) - -# Flag indicating if tallies are present -tallies_present = sp._get_int()[0] - -# Check if tallies are present -if not tallies_present: - raise Exception("No tally data in state point!") - -# Loop over all tallies -for i, t in enumerate(sp.tallies): - # Calculate t-value for 95% two-sided CI - n = t.n_realizations - t_value = scipy.stats.t.ppf(0.975, n - 1) - - # Create lists for tallies - mean = [] - uncertainties = [] - nonzero = [] - - n_bins = t.total_score_bins * t.total_filter_bins - - # Loop over filter/score bins - for j in range(n_bins): - # Read sum and sum-squared - s, s2 = sp._get_double(2) - s /= n - if s != 0.0: - relative_error = t_value*sqrt((s2/n - s*s)/(n-1))/s - uncertainties.append(relative_error) - - # Display number of tallies with less than 1% CIs - fraction = (sum([1.0 if re < 0.01 else 0.0 for re in uncertainties]) - / n_bins) - print("Tally " + str(i+1)) - print(" Fraction under 1% = {0}".format(fraction)) - print(" Min relative error = {0}".format(min(uncertainties))) - print(" Max relative error = {0}".format(max(uncertainties))) - print(" Non-scoring bins = {0}".format( - 1.0 - float(len(uncertainties))/n_bins)) - - # Plot histogram - plt.hist(uncertainties, 100) - plt.show() diff --git a/src/utils/statepoint_meshplot.py b/src/utils/statepoint_meshplot.py deleted file mode 100755 index f557a256e6..0000000000 --- a/src/utils/statepoint_meshplot.py +++ /dev/null @@ -1,95 +0,0 @@ -#!/usr/bin/env python - -from __future__ import print_function, division - -from sys import argv -from math import sqrt - -import numpy as np -import scipy.stats -import matplotlib.pyplot as plt - -from statepoint import StatePoint - -# Get filename -filename = argv[1] - -# Determine axial level -axial_level = int(argv[2]) if len(argv) > 2 else 1 -score = int(argv[3]) if len(argv) > 3 else 1 - -# Create StatePoint object -sp = StatePoint(filename) - -# Read number of realizations for global tallies -sp.n_realizations = sp._get_int()[0] - -# Read global tallies -n_global_tallies = sp._get_int()[0] -sp.global_tallies = np.array(sp._get_double(2*n_global_tallies)) -sp.global_tallies.shape = (n_global_tallies, 2) - -# Flag indicating if tallies are present -tallies_present = sp._get_int()[0] - -# Check if tallies are present -if not tallies_present: - raise Exception("No tally data in state point!") - -# Loop over all tallies -print("Reading data...") -for t in sp.tallies: - # Calculate t-value for 95% two-sided CI - n = t.n_realizations - t_value = scipy.stats.t.ppf(0.975, n - 1) - - n_bins = t.total_score_bins * t.total_filter_bins - - # Check for mesh - if 'mesh' not in t.filters: - continue - - # Get Mesh object and determine size - m = sp.meshes[t.filters['mesh'].bins[0] - 1] - if len(m.dimension) == 2: - nx, ny = m.dimension - nz = 1 - else: - nx, ny, nz = m.dimension - - # Calculate number of score bins - ns = t.total_score_bins * t.total_filter_bins // (nx*ny*nz) - assert n_bins == nx*ny*nz*ns - - # Create lists for tallies - mean = np.zeros((nx, ny)) - error = np.zeros((nx, ny)) - criteria = np.zeros((nx, ny)) - - # Determine starting position for data - start = sp._f.tell() + (axial_level-1)*ns*16 + (score - 1)*16 - - for x in range(nx): - for y in range(ny): - # Seek to position of data - sp._f.seek(start + x*ny*nz*ns*16 + y*nz*ns*16) - - # Read sum and sum-squared - s, s2 = sp._get_double(2) - s /= n - mean[x, y] = s - if s != 0.0: - error[x, y] = t_value*sqrt((s2/n - s*s)/(n-1))/s - criteria[x, y] = 1.0 if error[x, y] < 0.05 else 0.0 - - # Make figure - print("Making colorplot...") - plt.imshow(mean, interpolation="nearest") - plt.colorbar() - plt.xlim((0, nx)) - plt.ylim((0, ny)) - plt.xticks(np.linspace(0, nx, 5), - np.linspace(m.lower_left[0], m.upper_right[0], 5)) - plt.yticks(np.linspace(0, ny, 5), - np.linspace(m.lower_left[1], m.upper_right[1], 5)) - plt.show() diff --git a/src/utils/voxel.py b/src/utils/voxel.py deleted file mode 100755 index 18488e1c0e..0000000000 --- a/src/utils/voxel.py +++ /dev/null @@ -1,120 +0,0 @@ -#!/usr/bin/env python2 - -from __future__ import division, print_function - -import struct -import sys - -################################################################################ -def parse_options(): - """Process command line arguments""" - - from optparse import OptionParser - usage = r"""%prog [options] """ - p = OptionParser(usage=usage) - p.add_option('-o', '--output', action='store', dest='output', - default='plot', help='Path to output SILO or VTK file.') - p.add_option('-v', '--vtk', action='store_true', dest='vtk', - default=False, help='Flag to convert to VTK instead of SILO.') - parsed = p.parse_args() - if not parsed[1]: - p.print_help() - return parsed - return parsed - -################################################################################ -def main(file_, o): - - print(file_) - fh = open(file_,'rb') - header = get_header(fh) - meshparms = header['dimension'] + header['lower_left'] + header['upper_right'] - nx,ny,nz = meshparms[0], meshparms[1], meshparms[2] - ll = header['lower_left'] - - if o.vtk: - try: - import vtk - except: - print('The vtk python bindings do not appear to be installed properly.\n' - 'On Ubuntu: sudo apt-get install python-vtk\n' - 'See: http://www.vtk.org/') - return - - origin = [(l+w*n/2.) for n,l,w in zip((nx,ny,nz),ll,header['width'])] - - grid = vtk.vtkImageData() - grid.SetDimensions(nx+1,ny+1,nz+1) - grid.SetOrigin(*ll) - grid.SetSpacing(*header['width']) - - data = vtk.vtkDoubleArray() - data.SetName("id") - data.SetNumberOfTuples(nx*ny*nz) - for x in range(nx): - sys.stdout.write(" {0}%\r".format(int(x/nx*100))) - sys.stdout.flush() - for y in range(ny): - for z in range(nz): - i = z*nx*ny + y*nx + x - id_ = get_int(fh)[0] - data.SetValue(i, id_) - grid.GetCellData().AddArray(data) - - writer = vtk.vtkXMLImageDataWriter() - writer.SetInput(grid) - if not o.output[-4:] == ".vti": o.output += ".vti" - writer.SetFileName(o.output) - writer.Write() - - else: - - try: - import silomesh - except: - print('The silomesh package does not appear to be installed properly.\n' - 'See: https://github.com/nhorelik/silomesh/') - return - if not o.output[-5:] == ".silo": o.output += ".silo" - silomesh.init_silo(o.output) - silomesh.init_mesh('plot', *meshparms) - silomesh.init_var("id") - for x in range(1,nx+1): - sys.stdout.write(" {0}%\r".format(int(x/nx*100))) - sys.stdout.flush() - for y in range(1,ny+1): - for z in range(1,nz+1): - id_ = get_int(fh)[0] - silomesh.set_value(float(id_), x, y, z) - print() - silomesh.finalize_var() - silomesh.finalize_mesh() - silomesh.finalize_silo() - -################################################################################ -def get_header(file_): - nx,ny,nz = get_int(file_, 3) - wx,wy,wz = get_double(file_, 3) - lx,ly,lz = get_double(file_, 3) - header = {'dimension':[nx,ny,nz], 'width':[wx,wy,wz], 'lower_left':[lx,ly,lz], - 'upper_right': [lx+wx*nx,ly+wy*ny,lz+wz*nz]} - return header - -################################################################################ -def get_data(file_, n, typeCode, size): - return list(struct.unpack('={0}{1}'.format(n,typeCode), - file_.read(n*size))) - -################################################################################ -def get_int(file_, n=1, path=None): - return get_data(file_, n, 'i', 4) - -################################################################################ -def get_double(file_, n=1, path=None): - return get_data(file_, n, 'd', 8) - -################################################################################ -if __name__ == '__main__': - (options, args) = parse_options() - if args: - main(args[0],options) diff --git a/src/vector_header.F90 b/src/vector_header.F90 index 05cc7e3cde..1ada0fba74 100644 --- a/src/vector_header.F90 +++ b/src/vector_header.F90 @@ -2,40 +2,25 @@ module vector_header use constants, only: ZERO -#ifdef PETSC - use petscvec -#endif - implicit none private - type, public :: Vector + type, public :: Vector integer :: n ! number of rows/cols in matrix real(8), allocatable :: data(:) ! where vector data is stored real(8), pointer :: val(:) ! pointer to vector data -# ifdef PETSC - type(vec) :: petsc_vec ! PETSc vector -# endif - logical :: petsc_active ! Logical if PETSc is being used - contains - procedure :: create => vector_create - procedure :: destroy => vector_destroy - procedure :: add_value => vector_add_value - procedure :: copy => vector_copy -# ifdef PETSC - procedure :: setup_petsc => vector_setup_petsc - procedure :: write_petsc_binary => vector_write_petsc_binary -# endif + contains + procedure :: create => vector_create + procedure :: destroy => vector_destroy + procedure :: add_value => vector_add_value + procedure :: copy => vector_copy + ! TODO: procedure :: write => vector_write end type Vector -#ifdef PETSC - integer :: petsc_err ! petsc error code -#endif - contains !=============================================================================== -! VECTOR_CREATE allocates and initializes a vector +! VECTOR_CREATE allocates and initializes a vector !=============================================================================== subroutine vector_create(self, n) @@ -53,9 +38,6 @@ contains ! Initialize to zero self % val = ZERO - ! Petsc is default not active - self % petsc_active = .false. - end subroutine vector_create !=============================================================================== @@ -66,10 +48,6 @@ contains class(Vector), intent(inout) :: self ! vector instance -#ifdef PETSC - if (self % petsc_active) call VecDestroy(self % petsc_vec, petsc_err) -#endif - if (associated(self % val)) nullify(self % val) if (allocated(self % data)) deallocate(self % data) @@ -89,45 +67,6 @@ contains end subroutine vector_add_value -!=============================================================================== -! VECTOR_SETUP_PETSC links the data to a PETSc vector -!=============================================================================== - -#ifdef PETSC - subroutine vector_setup_petsc(self) - - class(Vector), intent(inout) :: self ! vector instance - - ! Link to PETSc - call VecCreateSeqWithArray(PETSC_COMM_WORLD, 1, self % n, self % val, & - self % petsc_vec, petsc_err) - - ! Set that PETSc is now active - self % petsc_active = .true. - - end subroutine vector_setup_petsc -#endif - -!=============================================================================== -! VECTOR_WRITE_PETSC_BINARY writes the PETSc vector to a binary file -!=============================================================================== - -#ifdef PETSC - subroutine vector_write_petsc_binary(self, filename) - - character(*), intent(in) :: filename ! name of file to write to - class(Vector), intent(in) :: self ! vector instance - - type(PetscViewer) :: viewer ! PETSc viewer instance - - call PetscViewerBinaryOpen(PETSC_COMM_WORLD, trim(filename), & - FILE_MODE_WRITE, viewer, petsc_err) - call VecView(self % petsc_vec, viewer, petsc_err) - call PetscViewerDestroy(viewer, petsc_err) - - end subroutine vector_write_petsc_binary -#endif - !=============================================================================== ! VECTOR_COPY allocates a separate vector and copies !=============================================================================== @@ -144,12 +83,9 @@ contains ! Set n self % n = vectocopy % n - ! Copy values + ! Copy values self % val = vectocopy % val - ! Petsc is default not active - self % petsc_active = .false. - end subroutine vector_copy end module vector_header diff --git a/src/xml_interface.F90 b/src/xml_interface.F90 index 1a24bc14b3..4ae05ee281 100644 --- a/src/xml_interface.F90 +++ b/src/xml_interface.F90 @@ -92,7 +92,7 @@ contains ! Check if node exists if (associated(temp_ptr)) return - ! Check for a sub-element + ! Check for a sub-element elem_list => getChildrenByTagName(ptr, trim(node_name)) ! Get the length of the list @@ -122,7 +122,7 @@ contains ! Set found to false found_ = .false. - ! Check for a sub-element + ! Check for a sub-element elem_list => getChildrenByTagName(in_ptr, trim(node_name)) ! Get the length of the list @@ -147,7 +147,7 @@ contains type(Node), pointer, intent(in) :: in_ptr type(NodeList), pointer, intent(out) :: out_ptr - ! Check for a sub-element + ! Check for a sub-element out_ptr => getChildrenByTagName(in_ptr, trim(node_name)) end subroutine get_node_list @@ -176,7 +176,7 @@ contains type(NodeList), pointer, intent(in) :: in_ptr type(Node), pointer, intent(out) :: out_ptr - ! Check for a sub-element + ! Check for a sub-element out_ptr => item(in_ptr, idx - 1) end subroutine get_list_item @@ -199,7 +199,7 @@ contains call get_node(ptr, node_name, temp_ptr, node_type, found) ! Leave if it was not found - if (.not. found) then + if (.not. found) then call fatal_error("Node " // node_name // " not part of Node " & &// getNodeName(ptr) // ".") end if @@ -210,7 +210,7 @@ contains else call extractDataContent(temp_ptr, result_int) end if - + end subroutine get_node_value_integer !=============================================================================== @@ -231,18 +231,18 @@ contains call get_node(ptr, node_name, temp_ptr, node_type, found) ! Leave if it was not found - if (.not. found) then + if (.not. found) then call fatal_error("Node " // node_name // " not part of Node " & &// getNodeName(ptr) // ".") end if - + ! Extract value if (node_type == ATTR_NODE) then call extractDataAttribute(ptr, node_name, result_long) else call extractDataContent(temp_ptr, result_long) end if - + end subroutine get_node_value_long !=============================================================================== @@ -263,18 +263,18 @@ contains call get_node(ptr, node_name, temp_ptr, node_type, found) ! Leave if it was not found - if (.not. found) then + if (.not. found) then call fatal_error("Node " // node_name // " not part of Node " & &// getNodeName(ptr) // ".") end if - + ! Extract value if (node_type == ATTR_NODE) then call extractDataAttribute(ptr, node_name, result_double) else call extractDataContent(temp_ptr, result_double) end if - + end subroutine get_node_value_double !=============================================================================== @@ -295,18 +295,18 @@ contains call get_node(ptr, node_name, temp_ptr, node_type, found) ! Leave if it was not found - if (.not. found) then + if (.not. found) then call fatal_error("Node " // node_name // " not part of Node " & &// getNodeName(ptr) // ".") end if - + ! Extract value if (node_type == ATTR_NODE) then call extractDataAttribute(ptr, node_name, result_int) else call extractDataContent(temp_ptr, result_int) end if - + end subroutine get_node_array_integer !=============================================================================== @@ -327,18 +327,18 @@ contains call get_node(ptr, node_name, temp_ptr, node_type, found) ! Leave if it was not found - if (.not. found) then + if (.not. found) then call fatal_error("Node " // node_name // " not part of Node " & &// getNodeName(ptr) // ".") end if - + ! Extract value if (node_type == ATTR_NODE) then call extractDataAttribute(ptr, node_name, result_double) else call extractDataContent(temp_ptr, result_double) end if - + end subroutine get_node_array_double !=============================================================================== @@ -359,18 +359,18 @@ contains call get_node(ptr, node_name, temp_ptr, node_type, found) ! Leave if it was not found - if (.not. found) then + if (.not. found) then call fatal_error("Node " // node_name // " not part of Node " & &// getNodeName(ptr) // ".") end if - + ! Extract value if (node_type == ATTR_NODE) then call extractDataAttribute(ptr, node_name, result_string) else call extractDataContent(temp_ptr, result_string) end if - + end subroutine get_node_array_string !=============================================================================== @@ -391,18 +391,18 @@ contains call get_node(ptr, node_name, temp_ptr, node_type, found) ! Leave if it was not found - if (.not. found) then + if (.not. found) then call fatal_error("Node " // node_name // " not part of Node " // & getNodeName(ptr) // ".") end if - + ! Extract value if (node_type == ATTR_NODE) then call extractDataAttribute(ptr, node_name, result_str) else call extractDataContent(temp_ptr, result_str) end if - + end subroutine get_node_value_string !=============================================================================== @@ -513,7 +513,7 @@ contains ! Check if node exists if (associated(out_ptr)) return - ! Check for a sub-element + ! Check for a sub-element elem_list => getChildrenByTagName(in_ptr, trim(node_name)) ! Get the length of the list diff --git a/tests/check_source.py b/tests/check_source.py new file mode 100755 index 0000000000..3a79d44c28 --- /dev/null +++ b/tests/check_source.py @@ -0,0 +1,232 @@ +#!/usr/bin/env python + +from __future__ import print_function + +import glob +from string import whitespace +from sys import exit +from textwrap import TextWrapper + + +################################################################################ +# Fortran reading/parsing backend. +################################################################################ + + +class LineOfCode(object): + """Contains and provides basic info about a line of Fortran 90 code.""" + def __init__(self, number, content, is_continuation=False, + string_terminator=None): + # Initialize member variables. + self.number = number + self.content = content + self.is_continuation = is_continuation + self.is_continued = False + assert (string_terminator is None or + string_terminator == "'" or + string_terminator == '"') + self.initial_string_terminator = string_terminator + self.final_string_terminator = None + self.is_comment_only = False + + # Parse the string. + self.parse() + + def __repr__(self): + rep = 'LineOfCode: line number = {0:d}\n'.format(self.number) + rep += '\tis_continuation = ' + str(self.is_continuation) + '\n' + rep += '\tis_continued = ' + str(self.is_continued) + '\n' + rep += ('\tinitial_string_terminator = ' + + str(self.initial_string_terminator) + '\n') + rep += ('\tfinal_string_terminator = ' + + str(self.final_string_terminator) + '\n') + rep += '\tis_comment_only = ' + str(self.is_comment_only) + '\n' + rep += '\tContent:\n' + self.content + return rep + + def __str__(self): + return repr(self) + + def parse(self): + # Initialize the string variables. + if self.initial_string_terminator == "'": + in_a_single_quote = True + in_a_double_quote = False + elif self.initial_string_terminator == '"': + in_a_single_quote = False + in_a_double_quote = True + else: + in_a_single_quote = False + in_a_double_quote = False + + # Initialize other variables. + in_a_comment = False + ends_with_ampersand = False + has_real_content = False + + # Parse through the line. + for char in self.content: + # Check for the start or end of strings. + if char == "'" and in_a_single_quote: + in_a_single_quote = False + elif char == "'" and not in_a_double_quote: + in_a_single_quote = True + elif char == '"' and in_a_double_quote: + in_a_double_quote = False + elif char == '"' and not in_a_single_quote: + in_a_double_quote = True + + # Check for the start of a comment. + if (char == "!" and not in_a_single_quote + and not in_a_double_quote): + in_a_comment = True + break # Don't care about anything in a comment. + + # Check for a continuation ampersand. + if char == "&": + ends_with_ampersand = True + elif all([char != w for w in whitespace]): + ends_with_ampersand = False + + # Check to see if there is any real content (non-whitespace, not in + # a comment) + if (not in_a_comment) and all([char != w for w in whitespace]): + has_real_content = True + + # Make sure nothing went terribly wrong. + assert not (in_a_single_quote and in_a_double_quote) + assert not (in_a_single_quote and in_a_comment) + assert not (in_a_double_quote and in_a_comment) + + # Is this line continued onto the next? + if ends_with_ampersand: + self.is_continued = True + + # Is a multiline string continued on the next line? + if in_a_single_quote: + assert self.is_continued + self.final_string_terminator = "'" + if in_a_double_quote: + assert self.is_continued + self.final_string_terminator = '"' + + # Is this line a comment-only line? + if (not has_real_content) and in_a_comment: + self.is_comment_only = True + + def get_indent(self): + """Return the number of indentation spaces prefixing this line.""" + return len(self.content) - len(self.content.lstrip(' ')) + + def contains_whitespace_only(self): + """Return True/False if all characters in the line are whitespace.""" + if len(self.content.strip('\n')) == 0: return False + is_ws = [ any([char == ws for ws in whitespace]) + for char in self.content.strip('\n') ] + return all(is_ws) + + def has_trailing_whitespace(self): + """Return True/False if this line ends with a whitespace character.""" + stripped = self.content.strip('\n') + if len(stripped) == 0: return False + return any([stripped[-1] == ws for ws in whitespace]) + + def contains_tab(self): + """Return True/False if a tab character appears in the line.""" + return '\t' in self.content + + +def read_lines_of_code(fname): + line_num = 0 + cont = False + str_term = None + with open(fname) as fin: + for line in fin: + loc = LineOfCode(line_num, line, is_continuation=cont, + string_terminator=str_term) + cont = loc.is_continued + str_term = loc.final_string_terminator + line_num += 1 + yield loc + + +################################################################################ +# Error checking. +################################################################################ + + +def print_error(fname, line_number, err_msg): + header = "Error in file {0}, line {1}:".format(fname, line_number + 1) + + tw = TextWrapper(width=80, initial_indent=' '*4, subsequent_indent=' '*4) + body = '\n'.join(tw.wrap(err_msg)) + + print(header + '\n' + body + '\n') + + +def check_source(fname): + """Make sure the given Fortran source file meets OpenMC standards. + + If errors are found, messages will be printed to the screen describing the + error. The function will return True if no errors were found or False + otherwise. + """ + good_code = True + base_indent = 0 + + for loc in read_lines_of_code(fname): + # Check for extra whitespace errors. + if loc.contains_whitespace_only(): + good_code = False + print_error(fname, loc.number, "Line contains whitespace " + "characters but no content. Please remove whitespace.") + elif loc.has_trailing_whitespace(): + good_code = False + print_error(fname, loc.number, "Line has trailing whitespace after" + " the content. Please remove trailing whitespace.") + if loc.contains_tab(): + good_code = False + print_error(fname, loc.number, "Line contains a tab character. " + "Please replace with single whitespace characters.") + + # Check indentation. + current_indent = loc.get_indent() + if ((not loc.is_continuation) and (not loc.is_comment_only) and + (not loc.contains_whitespace_only()) and current_indent % 2 != 0): + good_code = False + print_error(fname, loc.number, "Line is indented an odd number of " + "spaces. All non-continuation lines should be indented an " + "even number of spaces.") + if loc.is_continuation and current_indent < base_indent + 5: + good_code = False + print_error(fname, loc.number, "Continuation lines must be " + "indented by at least 5 spaces, but this line is indented {0}" + " spaces.".format(current_indent - base_indent)) + + # Set base indentation for next lines. + if not loc.is_continuation: + base_indent = current_indent + + return good_code + + +################################################################################ +# Main loop. +################################################################################ + + +if __name__ == '__main__': + # Get a list of the F90 source files. + f90_files = glob.glob('../src/*.F90') + + # Make sure we found the source files. + assert len(f90_files) != 0, 'No .F90 source files found.' + + # Make sure all the F90 source files meet our standards. + good_code = [check_source(fname) for fname in f90_files] + if not all(good_code): + print("ERROR: The Fortran source code does not meet OpenMC's standards") + exit(-1) + else: + print("SUCCESS! Looks like the Fortran source meets our standards") + exit(0) diff --git a/tests/run_tests.py b/tests/run_tests.py index 661f8c50a4..3550ad7cb1 100755 --- a/tests/run_tests.py +++ b/tests/run_tests.py @@ -43,9 +43,8 @@ parser.add_option("-s", "--script", action="store_true", dest="script", # Default compiler paths FC='gfortran' MPI_DIR='/opt/mpich/3.1.3-gnu' -HDF5_DIR='/opt/hdf5/1.8.14-gnu' -PHDF5_DIR='/opt/phdf5/1.8.14-gnu' -PETSC_DIR='/opt/petsc/3.5.2-gnu' +HDF5_DIR='/opt/hdf5/1.8.15-gnu' +PHDF5_DIR='/opt/phdf5/1.8.15-gnu' # Script mode for extra capability script_mode = False @@ -59,8 +58,6 @@ if 'HDF5_DIR' in os.environ: HDF5_DIR = os.environ['HDF5_DIR'] if 'PHDF5_DIR' in os.environ: PHDF5_DIR = os.environ['PHDF5_DIR'] -if 'PETSC_DIR' in os.environ: - PETSC_DIR = os.environ['PETSC_DIR'] # CTest script template ctest_str = """set (CTEST_SOURCE_DIRECTORY "{source_dir}") @@ -87,31 +84,36 @@ set(ENV{{COVERAGE}} ${{COVERAGE}}) {subproject} ctest_start("{dashboard}") -ctest_configure() +ctest_configure(RETURN_VALUE res) {update} -ctest_build() -ctest_test({tests} PARALLEL_LEVEL {n_procs}) +ctest_build(RETURN_VALUE res) +ctest_test({tests} PARALLEL_LEVEL {n_procs}, RETURN_VALUE res) if(MEM_CHECK) -ctest_memcheck({tests}) +ctest_memcheck({tests}, RETURN_VALUE res) endif(MEM_CHECK) if(COVERAGE) -ctest_coverage() +ctest_coverage(RETURN_VALUE res) endif(COVERAGE) -{submit}""" +{submit} + +if (res EQUAL 0) +else() +message(FATAL_ERROR "") +endif() +""" # Define test data structure tests = OrderedDict() class Test(object): def __init__(self, name, debug=False, optimize=False, mpi=False, openmp=False, - hdf5=False, petsc=False, valgrind=False, coverage=False): + hdf5=False, valgrind=False, coverage=False): self.name = name self.debug = debug self.optimize = optimize self.mpi = mpi self.openmp = openmp self.hdf5 = hdf5 - self.petsc = petsc self.valgrind = valgrind self.coverage = coverage self.success = True @@ -119,7 +121,8 @@ class Test(object): self.skipped = False self.valgrind_cmd = "" self.gcov_cmd = "" - self.cmake = ['cmake', '-H../src', '-Bbuild'] + self.cmake = ['cmake', '-H..', '-Bbuild', + '-DPYTHON_EXECUTABLE=' + sys.executable] # Check for MPI/HDF5 if self.mpi and not self.hdf5: @@ -146,8 +149,6 @@ class Test(object): build_str += "-Doptimize=ON " if self.openmp: build_str += "-Dopenmp=ON " - if self.petsc: - build_str += "-Dpetsc=ON " if self.coverage: build_str += "-Dcoverage=ON " self.build_opts = build_str @@ -161,8 +162,6 @@ class Test(object): # Runs the ctest script which performs all the cmake/ctest/cdash def run_ctest_script(self): os.environ['FC'] = self.fc - if self.petsc: - os.environ['PETSC_DIR'] = PETSC_DIR if self.mpi: os.environ['MPI_DIR'] = MPI_DIR rc = call(['ctest', '-S', 'ctestscript.run','-V']) @@ -173,6 +172,8 @@ class Test(object): # Runs cmake when in non-script mode def run_cmake(self): os.environ['FC'] = self.fc + if self.mpi: + os.environ['MPI_DIR'] = MPI_DIR build_opts = self.build_opts.split() self.cmake += build_opts rc = call(self.cmake) @@ -262,9 +263,9 @@ class Test(object): # Simple function to add a test to the global tests dictionary def add_test(name, debug=False, optimize=False, mpi=False, openmp=False,\ - hdf5=False, petsc=False, valgrind=False, coverage=False): - tests.update({name:Test(name, debug, optimize, mpi, openmp, hdf5, petsc, - valgrind, coverage)}) + hdf5=False, valgrind=False, coverage=False): + tests.update({name: Test(name, debug, optimize, mpi, openmp, hdf5, + valgrind, coverage)}) # List of all tests that may be run. User can add -C to command line to specify # a subset of these configurations @@ -292,22 +293,11 @@ add_test('phdf5-optimize', mpi=True, hdf5=True, optimize=True) add_test('phdf5-omp-normal', mpi=True, hdf5=True, openmp=True) add_test('phdf5-omp-debug', mpi=True, hdf5=True, openmp=True, debug=True) add_test('phdf5-omp-optimize', mpi=True, hdf5=True, openmp=True, optimize=True) -add_test('petsc-normal', petsc=True, mpi=True) -add_test('petsc-debug', petsc=True, mpi=True, debug=True) -add_test('petsc-optimize', petsc=True, mpi=True, optimize=True) -add_test('phdf5-petsc-normal', mpi=True, hdf5=True, petsc=True) -add_test('phdf5-petsc-debug', mpi=True, hdf5=True, petsc=True, debug=True) -add_test('phdf5-petsc-optimize', mpi=True, hdf5=True, petsc=True, optimize=True) -add_test('omp-phdf5-petsc-normal', openmp=True, mpi=True, hdf5=True, petsc=True) -add_test('omp-phdf5-petsc-debug', openmp=True, mpi=True, hdf5=True, petsc=True, debug=True) -add_test('omp-phdf5-petsc-optimize', openmp=True, mpi=True, hdf5=True, petsc=True, optimize=True) add_test('basic-debug_valgrind', debug=True, valgrind=True) add_test('hdf5-debug_valgrind', hdf5=True, debug=True, valgrind=True) -add_test('petsc-debug_valgrind', petsc=True, mpi=True, debug=True, valgrind=True) add_test('basic-debug_coverage', debug=True, coverage=True) add_test('hdf5-debug_coverage', debug=True, hdf5=True, coverage=True) add_test('mpi-debug_coverage', debug=True, mpi=True, coverage=True) -add_test('petsc-debug_coverage', debug=True, petsc=True, mpi=True, coverage=True) # Check to see if we should just print build configuration information to user if options.list_build_configs: @@ -318,7 +308,6 @@ if options.list_build_configs: print(' HDF5 Active:..........{0}'.format(tests[key].hdf5)) print(' MPI Active:...........{0}'.format(tests[key].mpi)) print(' OpenMP Active:........{0}'.format(tests[key].openmp)) - print(' PETSc Active:.........{0}'.format(tests[key].petsc)) print(' Valgrind Test:........{0}'.format(tests[key].valgrind)) print(' Coverage Test:........{0}\n'.format(tests[key].coverage)) exit() @@ -357,15 +346,15 @@ else: script_mode = False # Setup CTest script vars. Not used in non-script mode -pwd = os.environ['PWD'] +pwd = os.getcwd() ctest_vars = { -'source_dir' : pwd + '/../src', -'build_dir' : pwd + '/build', -'host_name' : socket.gethostname(), -'dashboard' : dash, -'submit' : submit, -'update' : update, -'n_procs' : options.n_procs + 'source_dir': os.path.join(pwd, '..'), + 'build_dir': os.path.join(pwd, 'build'), + 'host_name': socket.gethostname(), + 'dashboard': dash, + 'submit': submit, + 'update': update, + 'n_procs': options.n_procs } # Check project name @@ -509,6 +498,8 @@ else: ENDC = '' BOLD = '' +return_code = 0 + for test in tests: print(test + '.'*(50 - len(test)), end='') if tests[test].success: @@ -516,3 +507,6 @@ for test in tests: else: print(BOLD + FAIL + '[FAILED]' + ENDC) print(' '*len(test)+tests[test].msg) + return_code = 1 + +sys.exit(return_code) diff --git a/tests/test_basic/results.py b/tests/test_basic/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_basic/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_basic/test_basic.py b/tests/test_basic/test_basic.py old mode 100644 new mode 100755 index 6fdbf87459..6633e59111 --- a/tests/test_basic/test_basic.py +++ b/tests/test_basic/test_basic.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_cmfd_feed/cmfd.xml b/tests/test_cmfd_feed/cmfd.xml index 228b260a46..479655d875 100644 --- a/tests/test_cmfd_feed/cmfd.xml +++ b/tests/test_cmfd_feed/cmfd.xml @@ -10,7 +10,6 @@ 5 dominance - power true 1.e-15 1.e-20 diff --git a/tests/test_cmfd_feed/results.py b/tests/test_cmfd_feed/results.py deleted file mode 100644 index bf969b4b04..0000000000 --- a/tests/test_cmfd_feed/results.py +++ /dev/null @@ -1,82 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.20.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) -results3 = sp.tallies[2].results -shape3 = results3.shape -size3 = (np.product(shape3)) -results3 = np.reshape(results3, size3) -results4 = sp.tallies[3].results -shape4 = results4.shape -size4 = (np.product(shape4)) -results4 = np.reshape(results4, size4) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 3:\n' -for item in results3: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 4:\n' -for item in results4: - outstr += "{0:12.6E}\n".format(item) - -# write out cmfd answers -outstr += 'cmfd indices\n' -for item in sp.cmfd_indices: - outstr += "{0:12.6E}\n".format(item) -outstr += 'k cmfd\n' -for item in sp.k_cmfd: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd entropy\n' -for item in sp.cmfd_entropy: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd balance\n' -for item in sp.cmfd_balance: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd dominance ratio\n' -for item in sp.cmfd_dominance: - outstr += "{0:10.3E}\n".format(item) -outstr += 'cmfd openmc source comparison\n' -for item in sp.cmfd_srccmp: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd source\n' -cmfdsrc = np.reshape(sp.cmfd_src, np.product(sp.cmfd_indices), order='F') -for item in cmfdsrc: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat', 'w') as fh: - fh.write(outstr) diff --git a/tests/test_cmfd_feed/results_true.dat b/tests/test_cmfd_feed/results_true.dat index 95dec91dd4..a1dd0d815e 100644 --- a/tests/test_cmfd_feed/results_true.dat +++ b/tests/test_cmfd_feed/results_true.dat @@ -14,7 +14,7 @@ tally 1: 3.894180E+01 1.517824E+02 3.528006E+01 -1.246309E+02 +1.246308E+02 2.863448E+01 8.222321E+01 2.125384E+01 diff --git a/tests/test_cmfd_feed/test_cmfd_feed.py b/tests/test_cmfd_feed/test_cmfd_feed.py index 14623a5ee3..a3d2f30310 100644 --- a/tests/test_cmfd_feed/test_cmfd_feed.py +++ b/tests/test_cmfd_feed/test_cmfd_feed.py @@ -1,67 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import CMFDTestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.20.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.20.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.20.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = CMFDTestHarness('statepoint.20.*', True) + harness.main() diff --git a/tests/test_cmfd_jfnk/cmfd.xml b/tests/test_cmfd_jfnk/cmfd.xml deleted file mode 100644 index d97b098fd2..0000000000 --- a/tests/test_cmfd_jfnk/cmfd.xml +++ /dev/null @@ -1,16 +0,0 @@ - - - - - -10 -1 -1 - 10 1 1 - 10 1 1 - 0.0 0.0 1.0 1.0 1.0 1.0 - - - 5 - balance - jfnk - true - - diff --git a/tests/test_cmfd_jfnk/geometry.xml b/tests/test_cmfd_jfnk/geometry.xml deleted file mode 100644 index 57c4aa2285..0000000000 --- a/tests/test_cmfd_jfnk/geometry.xml +++ /dev/null @@ -1,43 +0,0 @@ - - - - - - 0 - -1 2 -3 4 -5 6 - 1 - - - - - x-plane - 10 - vacuum - - - x-plane - -10 - vacuum - - - y-plane - 1 - reflective - - - y-plane - -1 - reflective - - - z-plane - 1 - reflective - - - z-plane - -1 - reflective - - - diff --git a/tests/test_cmfd_jfnk/materials.xml b/tests/test_cmfd_jfnk/materials.xml deleted file mode 100644 index 7b4baf9e15..0000000000 --- a/tests/test_cmfd_jfnk/materials.xml +++ /dev/null @@ -1,12 +0,0 @@ - - - - - - - - - - - - diff --git a/tests/test_cmfd_jfnk/results.py b/tests/test_cmfd_jfnk/results.py deleted file mode 100644 index bf969b4b04..0000000000 --- a/tests/test_cmfd_jfnk/results.py +++ /dev/null @@ -1,82 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.20.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) -results3 = sp.tallies[2].results -shape3 = results3.shape -size3 = (np.product(shape3)) -results3 = np.reshape(results3, size3) -results4 = sp.tallies[3].results -shape4 = results4.shape -size4 = (np.product(shape4)) -results4 = np.reshape(results4, size4) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 3:\n' -for item in results3: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 4:\n' -for item in results4: - outstr += "{0:12.6E}\n".format(item) - -# write out cmfd answers -outstr += 'cmfd indices\n' -for item in sp.cmfd_indices: - outstr += "{0:12.6E}\n".format(item) -outstr += 'k cmfd\n' -for item in sp.k_cmfd: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd entropy\n' -for item in sp.cmfd_entropy: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd balance\n' -for item in sp.cmfd_balance: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd dominance ratio\n' -for item in sp.cmfd_dominance: - outstr += "{0:10.3E}\n".format(item) -outstr += 'cmfd openmc source comparison\n' -for item in sp.cmfd_srccmp: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd source\n' -cmfdsrc = np.reshape(sp.cmfd_src, np.product(sp.cmfd_indices), order='F') -for item in cmfdsrc: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat', 'w') as fh: - fh.write(outstr) diff --git a/tests/test_cmfd_jfnk/results_true.dat b/tests/test_cmfd_jfnk/results_true.dat deleted file mode 100644 index dd9c727d37..0000000000 --- a/tests/test_cmfd_jfnk/results_true.dat +++ /dev/null @@ -1,775 +0,0 @@ -k-combined: -1.177396E+00 4.883437E-03 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-0.000000E+00 -3.026290E+00 -4.597502E-01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -cmfd indices -1.000000E+01 -1.000000E+00 -1.000000E+00 -1.000000E+00 -k cmfd -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -1.150583E+00 -1.159578E+00 -1.162798E+00 -1.171003E+00 -1.162732E+00 -1.165591E+00 -1.166032E+00 -1.165387E+00 -1.165451E+00 -1.170726E+00 -1.170820E+00 -1.167945E+00 -1.166050E+00 -1.165757E+00 -1.167631E+00 -1.168366E+00 -cmfd entropy -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -3.215201E+00 -3.212850E+00 -3.214094E+00 -3.208054E+00 -3.212891E+00 -3.213349E+00 -3.208290E+00 -3.206895E+00 -3.208786E+00 -3.209630E+00 -3.212321E+00 -3.211750E+00 -3.212453E+00 -3.213370E+00 -3.211791E+00 -3.212685E+00 -cmfd balance -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -6.348026E-03 -5.102747E-03 -4.043947E-03 -3.952742E-03 -2.533934E-03 -2.215030E-03 -2.945032E-03 -2.597862E-03 -2.300873E-03 -1.991974E-03 -1.679430E-03 -1.636923E-03 -1.581336E-03 -1.431472E-03 -1.419168E-03 -1.256242E-03 -cmfd dominance ratio - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 - 0.000E+00 -cmfd openmc source comparison -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -8.388554E-03 -7.868057E-03 -6.387210E-03 -6.979018E-03 -5.634468E-03 -5.579467E-03 -5.647780E-03 -5.289856E-03 -4.550548E-03 -4.373716E-03 -4.042349E-03 -3.813510E-03 -3.749150E-03 -3.358125E-03 -3.562360E-03 -3.904943E-03 -cmfd source -4.142294E-02 -7.484381E-02 -1.050784E-01 -1.256771E-01 -1.444717E-01 -1.420230E-01 -1.350735E-01 -1.118744E-01 -7.755343E-02 -4.198177E-02 diff --git a/tests/test_cmfd_jfnk/settings.xml b/tests/test_cmfd_jfnk/settings.xml deleted file mode 100644 index 41de07f569..0000000000 --- a/tests/test_cmfd_jfnk/settings.xml +++ /dev/null @@ -1,32 +0,0 @@ - - - - - - 20 - 10 - 1000 - - - - - - - - - box - -10 -1 -1 10 1 1 - - - - - - 10 1 1 - -10.0 -1.0 -1.0 - 10.0 1.0 1.0 - - - - true - - diff --git a/tests/test_cmfd_jfnk/tallies.xml b/tests/test_cmfd_jfnk/tallies.xml deleted file mode 100644 index b20c0ad613..0000000000 --- a/tests/test_cmfd_jfnk/tallies.xml +++ /dev/null @@ -1,16 +0,0 @@ - - - - - rectangular - -10 -1 -1 - 10 1 1 - 10 1 1 - - - - - flux - - - diff --git a/tests/test_cmfd_jfnk/test_cmfd_jfnk.py b/tests/test_cmfd_jfnk/test_cmfd_jfnk.py deleted file mode 100644 index 34892c53aa..0000000000 --- a/tests/test_cmfd_jfnk/test_cmfd_jfnk.py +++ /dev/null @@ -1,68 +0,0 @@ -#!/usr/bin/env python - -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser - -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.20.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.20.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.20.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) - -if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() diff --git a/tests/test_cmfd_nofeed/cmfd.xml b/tests/test_cmfd_nofeed/cmfd.xml index eb6c2c721a..2e13cff6b8 100644 --- a/tests/test_cmfd_nofeed/cmfd.xml +++ b/tests/test_cmfd_nofeed/cmfd.xml @@ -10,7 +10,6 @@ 5 dominance - power false 1.e-15 1.e-20 diff --git a/tests/test_cmfd_nofeed/results.py b/tests/test_cmfd_nofeed/results.py deleted file mode 100644 index bf969b4b04..0000000000 --- a/tests/test_cmfd_nofeed/results.py +++ /dev/null @@ -1,82 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.20.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) -results3 = sp.tallies[2].results -shape3 = results3.shape -size3 = (np.product(shape3)) -results3 = np.reshape(results3, size3) -results4 = sp.tallies[3].results -shape4 = results4.shape -size4 = (np.product(shape4)) -results4 = np.reshape(results4, size4) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 3:\n' -for item in results3: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 4:\n' -for item in results4: - outstr += "{0:12.6E}\n".format(item) - -# write out cmfd answers -outstr += 'cmfd indices\n' -for item in sp.cmfd_indices: - outstr += "{0:12.6E}\n".format(item) -outstr += 'k cmfd\n' -for item in sp.k_cmfd: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd entropy\n' -for item in sp.cmfd_entropy: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd balance\n' -for item in sp.cmfd_balance: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd dominance ratio\n' -for item in sp.cmfd_dominance: - outstr += "{0:10.3E}\n".format(item) -outstr += 'cmfd openmc source comparison\n' -for item in sp.cmfd_srccmp: - outstr += "{0:12.6E}\n".format(item) -outstr += 'cmfd source\n' -cmfdsrc = np.reshape(sp.cmfd_src, np.product(sp.cmfd_indices), order='F') -for item in cmfdsrc: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat', 'w') as fh: - fh.write(outstr) diff --git a/tests/test_cmfd_nofeed/results_true.dat b/tests/test_cmfd_nofeed/results_true.dat index 761a4749da..da9b802e7e 100644 --- a/tests/test_cmfd_nofeed/results_true.dat +++ b/tests/test_cmfd_nofeed/results_true.dat @@ -1,5 +1,5 @@ k-combined: -1.170519E+00 8.422959E-03 +1.170519E+00 8.422960E-03 tally 1: 1.078122E+01 1.170828E+01 @@ -47,7 +47,7 @@ tally 2: 6.213554E+00 1.946061E+00 7.376629E+01 -2.729167E+02 +2.729166E+02 5.253400E+01 1.385018E+02 6.438590E+00 diff --git a/tests/test_cmfd_nofeed/test_cmfd_nofeed.py b/tests/test_cmfd_nofeed/test_cmfd_nofeed.py index 34892c53aa..a3d2f30310 100644 --- a/tests/test_cmfd_nofeed/test_cmfd_nofeed.py +++ b/tests/test_cmfd_nofeed/test_cmfd_nofeed.py @@ -1,68 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import CMFDTestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.20.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.20.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.20.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = CMFDTestHarness('statepoint.20.*', True) + harness.main() diff --git a/tests/test_confidence_intervals/results.py b/tests/test_confidence_intervals/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_confidence_intervals/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_confidence_intervals/results_true.dat b/tests/test_confidence_intervals/results_true.dat index 8468614dbc..fb13bdad29 100644 --- a/tests/test_confidence_intervals/results_true.dat +++ b/tests/test_confidence_intervals/results_true.dat @@ -1,5 +1,5 @@ k-combined: 2.913599E-01 6.738749E-03 -tallies: +tally 1: 6.420923E+01 5.190738E+02 diff --git a/tests/test_confidence_intervals/test_confidence_intervals.py b/tests/test_confidence_intervals/test_confidence_intervals.py old mode 100644 new mode 100755 index d1982f7fae..1777db993e --- a/tests/test_confidence_intervals/test_confidence_intervals.py +++ b/tests/test_confidence_intervals/test_confidence_intervals.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_created_output(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - output.append(os.path.join(cwd, 'tallies.out')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_created_output() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_density_atombcm/results.py b/tests/test_density_atombcm/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_density_atombcm/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_density_atombcm/test_density_atombcm.py b/tests/test_density_atombcm/test_density_atombcm.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_density_atombcm/test_density_atombcm.py +++ b/tests/test_density_atombcm/test_density_atombcm.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_density_atomcm3/results.py b/tests/test_density_atomcm3/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_density_atomcm3/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_density_atomcm3/results_true.dat b/tests/test_density_atomcm3/results_true.dat index 718d2bc9f7..3feb35ba1e 100644 --- a/tests/test_density_atomcm3/results_true.dat +++ b/tests/test_density_atomcm3/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.092203E+00 1.990175E-02 +1.092203E+00 1.990176E-02 diff --git a/tests/test_density_atomcm3/test_density_atomcm3.py b/tests/test_density_atomcm3/test_density_atomcm3.py index 26d389c21e..6633e59111 100644 --- a/tests/test_density_atomcm3/test_density_atomcm3.py +++ b/tests/test_density_atomcm3/test_density_atomcm3.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob('statepoint.10.*') - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_density_kgm3/results.py b/tests/test_density_kgm3/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_density_kgm3/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_density_kgm3/results_true.dat b/tests/test_density_kgm3/results_true.dat index 4fbd4e4eb9..c5942e1a23 100644 --- a/tests/test_density_kgm3/results_true.dat +++ b/tests/test_density_kgm3/results_true.dat @@ -1,2 +1,2 @@ k-combined: -8.085745E-01 9.674582E-03 +8.085745E-01 9.674599E-03 diff --git a/tests/test_density_kgm3/test_density_kgm3.py b/tests/test_density_kgm3/test_density_kgm3.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_density_kgm3/test_density_kgm3.py +++ b/tests/test_density_kgm3/test_density_kgm3.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_density_sum/results.py b/tests/test_density_sum/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_density_sum/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_density_sum/test_density_sum.py b/tests/test_density_sum/test_density_sum.py index b3384291b2..6633e59111 100644 --- a/tests/test_density_sum/test_density_sum.py +++ b/tests/test_density_sum/test_density_sum.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob('statepoint.10.*') - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_eigenvalue_genperbatch/results.py b/tests/test_eigenvalue_genperbatch/results.py deleted file mode 100644 index e2bb49e235..0000000000 --- a/tests/test_eigenvalue_genperbatch/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.7.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_eigenvalue_genperbatch/test_eigenvalue_genperbatch.py b/tests/test_eigenvalue_genperbatch/test_eigenvalue_genperbatch.py index 3ce7bf2db0..22752c1894 100644 --- a/tests/test_eigenvalue_genperbatch/test_eigenvalue_genperbatch.py +++ b/tests/test_eigenvalue_genperbatch/test_eigenvalue_genperbatch.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.7.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.7.*') + harness.main() diff --git a/tests/test_eigenvalue_no_inactive/results.py b/tests/test_eigenvalue_no_inactive/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_eigenvalue_no_inactive/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_eigenvalue_no_inactive/test_eigenvalue_no_inactive.py b/tests/test_eigenvalue_no_inactive/test_eigenvalue_no_inactive.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_eigenvalue_no_inactive/test_eigenvalue_no_inactive.py +++ b/tests/test_eigenvalue_no_inactive/test_eigenvalue_no_inactive.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_energy_grid/results.py b/tests/test_energy_grid/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_energy_grid/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_energy_grid/test_energy_grid.py b/tests/test_energy_grid/test_energy_grid.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_energy_grid/test_energy_grid.py +++ b/tests/test_energy_grid/test_energy_grid.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_entropy/results.py b/tests/test_entropy/results.py deleted file mode 100644 index 6c56b22c19..0000000000 --- a/tests/test_entropy/results.py +++ /dev/null @@ -1,31 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'entropy:\n' -for item in sp.entropy: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_entropy/test_entropy.py b/tests/test_entropy/test_entropy.py index 2f4196b283..4657101ad6 100644 --- a/tests/test_entropy/test_entropy.py +++ b/tests/test_entropy/test_entropy.py @@ -1,60 +1,31 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser - -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() +import sys +sys.path.insert(0, '..') +from testing_harness import * -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' +class EntropyTestHarness(TestHarness): + def _get_results(self): + """Digest info in the statepoint and return as a string.""" + # Read the statepoint file. + statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))[0] + sp = StatePoint(statepoint) + sp.read_results() -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' + # Write out k-combined. + outstr = 'k-combined:\n' + form = '{0:12.6E} {1:12.6E}\n' + outstr += form.format(sp.k_combined[0], sp.k_combined[1]) -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' + # Write out entropy data. + outstr += 'entropy:\n' + results = ['{0:12.6E}'.format(x) for x in sp._entropy] + outstr += '\n'.join(results) + '\n' + + return outstr -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = EntropyTestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_filter_cell/geometry.xml b/tests/test_filter_cell/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_filter_cell/geometry.xml +++ b/tests/test_filter_cell/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_filter_cell/results.py b/tests/test_filter_cell/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_filter_cell/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_filter_cell/results_true.dat b/tests/test_filter_cell/results_true.dat index 0a1924c5d7..0838e7baed 100644 --- a/tests/test_filter_cell/results_true.dat +++ b/tests/test_filter_cell/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 0.000000E+00 0.000000E+00 1.517577E+01 diff --git a/tests/test_filter_cell/test_filter_cell.py b/tests/test_filter_cell/test_filter_cell.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_filter_cell/test_filter_cell.py +++ b/tests/test_filter_cell/test_filter_cell.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_filter_cellborn/geometry.xml b/tests/test_filter_cellborn/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_filter_cellborn/geometry.xml +++ b/tests/test_filter_cellborn/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_filter_cellborn/results.py b/tests/test_filter_cellborn/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_filter_cellborn/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_filter_cellborn/results_true.dat b/tests/test_filter_cellborn/results_true.dat index ad682dab5d..d2fa7f7004 100644 --- a/tests/test_filter_cellborn/results_true.dat +++ b/tests/test_filter_cellborn/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 0.000000E+00 0.000000E+00 7.449502E+01 diff --git a/tests/test_filter_cellborn/test_filter_cellborn.py b/tests/test_filter_cellborn/test_filter_cellborn.py index 78132bcfc4..1777db993e 100644 --- a/tests/test_filter_cellborn/test_filter_cellborn.py +++ b/tests/test_filter_cellborn/test_filter_cellborn.py @@ -1,61 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_filter_distribcell/case-1/geometry.xml b/tests/test_filter_distribcell/case-1/geometry.xml new file mode 100644 index 0000000000..507559615e --- /dev/null +++ b/tests/test_filter_distribcell/case-1/geometry.xml @@ -0,0 +1,26 @@ + + + + + + + + + + 2 2 + -2.0 -2.0 + 2.0 2.0 + 3 + + 2 2 + 2 2 + + + + + + + + + + diff --git a/tests/test_filter_distribcell/case-1/materials.xml b/tests/test_filter_distribcell/case-1/materials.xml new file mode 100644 index 0000000000..0bb9a35a3e --- /dev/null +++ b/tests/test_filter_distribcell/case-1/materials.xml @@ -0,0 +1,18 @@ + + + + 71c + + + + + + + + + + + + + + diff --git a/tests/test_filter_distribcell/case-1/results_true.dat b/tests/test_filter_distribcell/case-1/results_true.dat new file mode 100644 index 0000000000..49bf3ed4ee --- /dev/null +++ b/tests/test_filter_distribcell/case-1/results_true.dat @@ -0,0 +1,14 @@ +k-combined: +0.000000E+00 0.000000E+00 +tally 1: +1.440759E-02 +2.075788E-04 +1.222930E-02 +1.495558E-04 +1.407292E-02 +1.980471E-04 +1.034365E-02 +1.069911E-04 +tally 2: +5.105347E-02 +2.606457E-03 diff --git a/tests/test_filter_distribcell/case-1/settings.xml b/tests/test_filter_distribcell/case-1/settings.xml new file mode 100644 index 0000000000..3ca5c1a327 --- /dev/null +++ b/tests/test_filter_distribcell/case-1/settings.xml @@ -0,0 +1,16 @@ + + + + + 1 + 0 + 1000 + + + + + -1 -1 -1 1 1 1 + + + + diff --git a/tests/test_filter_distribcell/case-1/tallies.xml b/tests/test_filter_distribcell/case-1/tallies.xml new file mode 100644 index 0000000000..e9b952a550 --- /dev/null +++ b/tests/test_filter_distribcell/case-1/tallies.xml @@ -0,0 +1,22 @@ + + + + + + + 201 + + + total + + + + + + 201 + + + total + + + diff --git a/tests/test_filter_distribcell/case-2/geometry.xml b/tests/test_filter_distribcell/case-2/geometry.xml new file mode 100644 index 0000000000..b6797d65d0 --- /dev/null +++ b/tests/test_filter_distribcell/case-2/geometry.xml @@ -0,0 +1,30 @@ + + + + + + + + + + + + + + + 2 2 + -2.0 -2.0 + 2.0 2.0 + + 20 21 + 22 23 + + + + + + + + + + diff --git a/tests/test_filter_distribcell/case-2/materials.xml b/tests/test_filter_distribcell/case-2/materials.xml new file mode 100644 index 0000000000..0bb9a35a3e --- /dev/null +++ b/tests/test_filter_distribcell/case-2/materials.xml @@ -0,0 +1,18 @@ + + + + 71c + + + + + + + + + + + + + + diff --git a/tests/test_filter_distribcell/case-2/results_true.dat b/tests/test_filter_distribcell/case-2/results_true.dat new file mode 100644 index 0000000000..bb2f498cbf --- /dev/null +++ b/tests/test_filter_distribcell/case-2/results_true.dat @@ -0,0 +1,11 @@ +k-combined: +0.000000E+00 0.000000E+00 +tally 1: +7.326285E-03 +5.367445E-05 +8.565980E-03 +7.337601E-05 +9.027116E-03 +8.148882E-05 +8.045879E-03 +6.473617E-05 diff --git a/tests/test_filter_distribcell/case-2/settings.xml b/tests/test_filter_distribcell/case-2/settings.xml new file mode 100644 index 0000000000..3ca5c1a327 --- /dev/null +++ b/tests/test_filter_distribcell/case-2/settings.xml @@ -0,0 +1,16 @@ + + + + + 1 + 0 + 1000 + + + + + -1 -1 -1 1 1 1 + + + + diff --git a/tests/test_filter_distribcell/case-2/tallies.xml b/tests/test_filter_distribcell/case-2/tallies.xml new file mode 100644 index 0000000000..55738312b3 --- /dev/null +++ b/tests/test_filter_distribcell/case-2/tallies.xml @@ -0,0 +1,13 @@ + + + + + + + 201 203 205 207 + + + total + + + diff --git a/tests/test_filter_distribcell/case-3/geometry.xml b/tests/test_filter_distribcell/case-3/geometry.xml new file mode 100644 index 0000000000..b85dd04df9 --- /dev/null +++ b/tests/test_filter_distribcell/case-3/geometry.xml @@ -0,0 +1,181 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 17 17 + -10.71 -10.71 + 1.26 1.26 + + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 + 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 + 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + + + + + + 17 17 + -10.71 -10.71 + 1.26 1.26 + + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 + 3 3 3 4 3 3 3 3 3 3 3 3 3 4 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 4 3 3 4 3 3 4 3 3 4 3 3 4 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 4 3 3 4 3 3 4 3 3 4 3 3 4 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 4 3 3 4 3 3 4 3 3 4 3 3 4 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 4 3 3 3 3 3 3 3 3 3 4 3 3 3 + 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 + + + + + + 21 21 + -224.91 -224.91 + 21.42 21.42 + + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 + 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 + 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 5 5 5 5 5 + 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 5 + 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 + 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 + 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 + 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 5 + 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 5 5 5 5 5 + 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 + + + + + + 21 21 + -224.91 -224.91 + 21.42 21.42 + + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 + 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 + 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 7 + 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 + 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 + 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 + 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 + 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 + 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 7 + 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 + + + + diff --git a/tests/test_filter_distribcell/case-3/materials.xml b/tests/test_filter_distribcell/case-3/materials.xml new file mode 100644 index 0000000000..8f50a6a60c --- /dev/null +++ b/tests/test_filter_distribcell/case-3/materials.xml @@ -0,0 +1,125 @@ + + + + 71c + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_filter_distribcell/case-3/results_true.dat b/tests/test_filter_distribcell/case-3/results_true.dat new file mode 100644 index 0000000000..f5f85d29f5 --- /dev/null +++ b/tests/test_filter_distribcell/case-3/results_true.dat @@ -0,0 +1 @@ +6008cf2ba8eecaaa5a600fa337cf54cef018e98bdba8e3bd26c6f44587376a838d5bc5e86301b2e308f9eb248e3efafd45a5336f4023d962d7921d158a621e0c \ No newline at end of file diff --git a/tests/test_filter_distribcell/case-3/settings.xml b/tests/test_filter_distribcell/case-3/settings.xml new file mode 100644 index 0000000000..98c02fc307 --- /dev/null +++ b/tests/test_filter_distribcell/case-3/settings.xml @@ -0,0 +1,21 @@ + + + + + 3 + 0 + 100 + + + + + + -160 -160 -183 + 160 160 183 + + + + + + + diff --git a/tests/test_filter_distribcell/case-3/tallies.xml b/tests/test_filter_distribcell/case-3/tallies.xml new file mode 100644 index 0000000000..30c9426e0a --- /dev/null +++ b/tests/test_filter_distribcell/case-3/tallies.xml @@ -0,0 +1,58 @@ + + + + + + + 1 + + + total + + + + + + 1 + + + total + + + + + + 60 + + + total + + + + + + 60 + + + total + + + + + + 27 + + + total + + + + + + 27 + + + total + + + diff --git a/tests/test_filter_distribcell/case-4/geometry.xml b/tests/test_filter_distribcell/case-4/geometry.xml new file mode 100644 index 0000000000..4c2a7fd5e4 --- /dev/null +++ b/tests/test_filter_distribcell/case-4/geometry.xml @@ -0,0 +1,23 @@ + + + + + + + + 1.0 + 3 +
0.0 0.0
+ + 1 +1 1 + 1 +1 1 + 1 + + + + + + + diff --git a/tests/test_filter_distribcell/case-4/materials.xml b/tests/test_filter_distribcell/case-4/materials.xml new file mode 100644 index 0000000000..19678c2a15 --- /dev/null +++ b/tests/test_filter_distribcell/case-4/materials.xml @@ -0,0 +1,18 @@ + + + 71c + + + + + + + + + + + + + + + diff --git a/tests/test_filter_distribcell/case-4/results_true.dat b/tests/test_filter_distribcell/case-4/results_true.dat new file mode 100644 index 0000000000..b8bd2b3390 --- /dev/null +++ b/tests/test_filter_distribcell/case-4/results_true.dat @@ -0,0 +1,17 @@ +k-combined: +0.000000E+00 0.000000E+00 +tally 1: +2.166056E-02 +4.691799E-04 +2.281665E-02 +5.205994E-04 +1.938848E-02 +3.759132E-04 +3.055366E-02 +9.335264E-04 +2.338209E-02 +5.467222E-04 +2.719869E-02 +7.397689E-04 +1.895698E-02 +3.593670E-04 diff --git a/tests/test_filter_distribcell/case-4/settings.xml b/tests/test_filter_distribcell/case-4/settings.xml new file mode 100644 index 0000000000..90e48b9c18 --- /dev/null +++ b/tests/test_filter_distribcell/case-4/settings.xml @@ -0,0 +1,13 @@ + + + + 1000 + 1 + 0 + + + + -1 -1 -1 1 1 1 + + + diff --git a/tests/test_filter_distribcell/case-4/tallies.xml b/tests/test_filter_distribcell/case-4/tallies.xml new file mode 100644 index 0000000000..b46de5f4e3 --- /dev/null +++ b/tests/test_filter_distribcell/case-4/tallies.xml @@ -0,0 +1,7 @@ + + + + + total + + diff --git a/tests/test_filter_distribcell/test_filter_distribcell.py b/tests/test_filter_distribcell/test_filter_distribcell.py new file mode 100644 index 0000000000..492f03daef --- /dev/null +++ b/tests/test_filter_distribcell/test_filter_distribcell.py @@ -0,0 +1,80 @@ +#!/usr/bin/env python + +import hashlib +import sys + +sys.path.insert(0, '..') +from testing_harness import * + + +class DistribcellTestHarness(TestHarness): + def __init__(self): + self._sp_name = None + self._tallies = True + self._opts = None + self._args = None + + def execute_test(self): + """Run OpenMC with the appropriate arguments and check the outputs.""" + base_dir = os.getcwd() + try: + dirs = ('case-1', '../case-2', '../case-3', '../case-4') + sps = ('statepoint.1.*', 'statepoint.1.*', 'statepoint.3.*', + 'statepoint.1.*') + tallies_out_present = (True, True, False, True) + hash_out = (False, False, True, False) + for i in range(len(dirs)): + os.chdir(dirs[i]) + self._sp_name = sps[i] + + self._run_openmc() + self._test_output_created(tallies_out_present[i]) + results = self._get_results(hash_out[i]) + self._write_results(results) + self._compare_results() + finally: + os.chdir(base_dir) + for i in range(len(dirs)): + os.chdir(dirs[i]) + self._cleanup() + + def update_results(self): + """Update the results_true using the current version of OpenMC.""" + base_dir = os.getcwd() + try: + dirs = ('case-1', '../case-2', '../case-3', '../case-4') + sps = ('statepoint.1.*', 'statepoint.1.*', 'statepoint.3.*', + 'statepoint.1.*') + tallies_out_present = (True, True, False, True) + hash_out = (False, False, True, False) + for i in range(len(dirs)): + os.chdir(dirs[i]) + self._sp_name = sps[i] + + self._run_openmc() + self._test_output_created(tallies_out_present[i]) + results = self._get_results(hash_out[i]) + self._write_results(results) + self._overwrite_results() + finally: + os.chdir(base_dir) + for i in range(len(dirs)): + os.chdir(dirs[i]) + self._cleanup() + + def _test_output_created(self, tallies_out_present): + """Make sure statepoint.* and tallies.out have been created.""" + statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name)) + assert len(statepoint) == 1, 'Either multiple or no statepoint files ' \ + 'exist.' + assert statepoint[0].endswith('binary') \ + or statepoint[0].endswith('h5'), \ + 'Statepoint file is not a binary or hdf5 file.' + if tallies_out_present: + assert os.path.exists(os.path.join(os.getcwd(), 'tallies.out')), \ + 'Tally output file does not exist.' + + +if __name__ == '__main__': + harness = DistribcellTestHarness() + harness.main() diff --git a/tests/test_filter_energy/geometry.xml b/tests/test_filter_energy/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_filter_energy/geometry.xml +++ b/tests/test_filter_energy/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_filter_energy/results.py b/tests/test_filter_energy/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_filter_energy/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_filter_energy/results_true.dat b/tests/test_filter_energy/results_true.dat index 81702c8140..9e3ab7965b 100644 --- a/tests/test_filter_energy/results_true.dat +++ b/tests/test_filter_energy/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 2.687671E+01 1.475192E+02 4.148025E+01 diff --git a/tests/test_filter_energy/test_filter_energy.py b/tests/test_filter_energy/test_filter_energy.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_filter_energy/test_filter_energy.py +++ b/tests/test_filter_energy/test_filter_energy.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_filter_energyout/geometry.xml b/tests/test_filter_energyout/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_filter_energyout/geometry.xml +++ b/tests/test_filter_energyout/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_filter_energyout/results.py b/tests/test_filter_energyout/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_filter_energyout/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_filter_energyout/results_true.dat b/tests/test_filter_energyout/results_true.dat index a0bef87798..fa0bfa6466 100644 --- a/tests/test_filter_energyout/results_true.dat +++ b/tests/test_filter_energyout/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 2.740000E+01 1.516786E+02 4.163000E+01 diff --git a/tests/test_filter_energyout/test_filter_energyout.py b/tests/test_filter_energyout/test_filter_energyout.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_filter_energyout/test_filter_energyout.py +++ b/tests/test_filter_energyout/test_filter_energyout.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_filter_group_transfer/geometry.xml b/tests/test_filter_group_transfer/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_filter_group_transfer/geometry.xml +++ b/tests/test_filter_group_transfer/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_filter_group_transfer/results.py b/tests/test_filter_group_transfer/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_filter_group_transfer/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_filter_group_transfer/results_true.dat b/tests/test_filter_group_transfer/results_true.dat index d91e385fd4..2222558273 100644 --- a/tests/test_filter_group_transfer/results_true.dat +++ b/tests/test_filter_group_transfer/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 2.470000E+01 1.233286E+02 0.000000E+00 diff --git a/tests/test_filter_group_transfer/test_filter_group_transfer.py b/tests/test_filter_group_transfer/test_filter_group_transfer.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_filter_group_transfer/test_filter_group_transfer.py +++ b/tests/test_filter_group_transfer/test_filter_group_transfer.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_filter_material/geometry.xml b/tests/test_filter_material/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_filter_material/geometry.xml +++ b/tests/test_filter_material/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_filter_material/results.py b/tests/test_filter_material/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_filter_material/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_filter_material/results_true.dat b/tests/test_filter_material/results_true.dat index d10924cc15..3d15ea4322 100644 --- a/tests/test_filter_material/results_true.dat +++ b/tests/test_filter_material/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 2.819256E+01 1.591068E+02 6.599750E+00 diff --git a/tests/test_filter_material/test_filter_material.py b/tests/test_filter_material/test_filter_material.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_filter_material/test_filter_material.py +++ b/tests/test_filter_material/test_filter_material.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_filter_mesh_2d/geometry.xml b/tests/test_filter_mesh_2d/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_filter_mesh_2d/geometry.xml +++ b/tests/test_filter_mesh_2d/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_filter_mesh_2d/results.py b/tests/test_filter_mesh_2d/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_filter_mesh_2d/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_filter_mesh_2d/results_true.dat b/tests/test_filter_mesh_2d/results_true.dat index 5e11bbaca7..01aea5afe2 100644 --- a/tests/test_filter_mesh_2d/results_true.dat +++ b/tests/test_filter_mesh_2d/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 @@ -264,7 +264,7 @@ tallies: 5.320317E-01 2.267827E-01 9.971891E-01 -5.070903E-01 +5.070904E-01 7.088786E-02 5.025089E-03 3.601108E-02 @@ -298,7 +298,7 @@ tallies: 1.145124E+00 4.571704E-01 1.135664E+00 -4.319757E-01 +4.319756E-01 8.875810E-02 7.878000E-03 7.494206E-02 diff --git a/tests/test_filter_mesh_2d/test_filter_mesh_2d.py b/tests/test_filter_mesh_2d/test_filter_mesh_2d.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_filter_mesh_2d/test_filter_mesh_2d.py +++ b/tests/test_filter_mesh_2d/test_filter_mesh_2d.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_filter_mesh_3d/geometry.xml b/tests/test_filter_mesh_3d/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_filter_mesh_3d/geometry.xml +++ b/tests/test_filter_mesh_3d/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_filter_mesh_3d/results.py b/tests/test_filter_mesh_3d/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_filter_mesh_3d/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_filter_mesh_3d/results_true.dat b/tests/test_filter_mesh_3d/results_true.dat index cee9c2c496..a67c77c034 100644 --- a/tests/test_filter_mesh_3d/results_true.dat +++ b/tests/test_filter_mesh_3d/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 @@ -1687,7 +1687,7 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -4.206688E-02 +4.206687E-02 1.769622E-03 2.760907E-02 7.622607E-04 @@ -1810,7 +1810,7 @@ tallies: 0.000000E+00 0.000000E+00 8.032141E-03 -6.451528E-05 +6.451529E-05 1.897802E-01 3.601652E-02 0.000000E+00 @@ -2232,7 +2232,7 @@ tallies: 0.000000E+00 0.000000E+00 1.103939E-01 -1.218682E-02 +1.218681E-02 1.828427E-01 1.294521E-02 0.000000E+00 @@ -2577,8 +2577,8 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -7.905315E-02 -6.249401E-03 +7.905316E-02 +6.249402E-03 6.679360E-01 1.650894E-01 7.539474E-02 @@ -2616,7 +2616,7 @@ tallies: 1.107212E+00 3.413570E-01 7.306165E-02 -5.338005E-03 +5.338004E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -2840,9 +2840,9 @@ tallies: 0.000000E+00 0.000000E+00 1.935296E-02 -3.745372E-04 -4.914513E-02 -2.415244E-03 +3.745370E-04 +4.914514E-02 +2.415245E-03 3.076980E-01 3.868177E-02 2.022942E-01 @@ -2875,10 +2875,10 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -7.698117E-02 -5.106927E-03 +7.698116E-02 +5.106926E-03 6.397704E-01 -2.487692E-01 +2.487693E-01 0.000000E+00 0.000000E+00 0.000000E+00 @@ -3124,7 +3124,7 @@ tallies: 8.227568E-02 6.769287E-03 2.170015E-02 -4.708967E-04 +4.708966E-04 1.342835E-01 1.803205E-02 0.000000E+00 @@ -3139,8 +3139,8 @@ tallies: 0.000000E+00 1.408666E-01 1.984341E-02 -2.912092E-02 -8.480282E-04 +2.912093E-02 +8.480284E-04 0.000000E+00 0.000000E+00 0.000000E+00 @@ -3193,8 +3193,8 @@ tallies: 0.000000E+00 2.698309E-01 5.659690E-02 -7.539544E-03 -5.684472E-05 +7.539545E-03 +5.684475E-05 0.000000E+00 0.000000E+00 0.000000E+00 @@ -3357,7 +3357,7 @@ tallies: 2.499121E-01 5.858178E-01 1.482815E-01 -4.753060E-02 +4.753061E-02 2.259158E-03 0.000000E+00 0.000000E+00 @@ -3594,7 +3594,7 @@ tallies: 0.000000E+00 0.000000E+00 1.275913E-02 -8.900080E-05 +8.900081E-05 7.974141E-02 3.206666E-03 0.000000E+00 @@ -3701,10 +3701,10 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -2.224856E-01 +2.224855E-01 3.374440E-02 -9.939442E-02 -9.879251E-03 +9.939443E-02 +9.879253E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -3769,10 +3769,10 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -2.394141E-02 -5.731913E-04 +2.394140E-02 +5.731908E-04 2.225881E-01 -4.954544E-02 +4.954545E-02 0.000000E+00 0.000000E+00 0.000000E+00 @@ -3797,8 +3797,8 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -5.232219E-03 -2.737612E-05 +5.232218E-03 +2.737611E-05 2.699331E-01 7.286389E-02 0.000000E+00 @@ -3887,8 +3887,8 @@ tallies: 3.750508E-02 4.494863E-01 2.020380E-01 -1.524812E-02 -2.325052E-04 +1.524811E-02 +2.325049E-04 0.000000E+00 0.000000E+00 5.591708E-01 @@ -4281,7 +4281,7 @@ tallies: 0.000000E+00 3.933218E-02 1.547021E-03 -4.824740E-02 +4.824739E-02 2.327811E-03 0.000000E+00 0.000000E+00 @@ -4465,8 +4465,8 @@ tallies: 6.344565E-02 4.457955E-01 9.943168E-02 -4.346781E-03 -1.889451E-05 +4.346780E-03 +1.889450E-05 0.000000E+00 0.000000E+00 0.000000E+00 @@ -4585,7 +4585,7 @@ tallies: 1.026482E-01 5.456703E-01 1.139540E-01 -5.551968E-01 +5.551969E-01 1.452833E-01 2.630569E-01 2.654789E-02 @@ -5166,7 +5166,7 @@ tallies: 4.295071E-01 9.355140E-02 1.311425E-03 -1.719837E-06 +1.719836E-06 0.000000E+00 0.000000E+00 0.000000E+00 @@ -5612,7 +5612,7 @@ tallies: 0.000000E+00 0.000000E+00 2.913120E-03 -8.486267E-06 +8.486266E-06 9.098084E-02 8.277514E-03 0.000000E+00 @@ -6108,9 +6108,9 @@ tallies: 1.475983E-02 2.178526E-04 1.747711E+00 -8.535010E-01 +8.535011E-01 7.461108E-02 -5.566813E-03 +5.566814E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -6453,7 +6453,7 @@ tallies: 0.000000E+00 1.194798E-01 1.427541E-02 -2.732160E-03 +2.732161E-03 7.464701E-06 0.000000E+00 0.000000E+00 @@ -6604,11 +6604,11 @@ tallies: 0.000000E+00 0.000000E+00 2.362808E-01 -5.091358E-02 -7.208809E-03 -5.196693E-05 +5.091357E-02 +7.208810E-03 +5.196695E-05 5.757630E-01 -2.687940E-01 +2.687941E-01 9.778317E-02 4.820693E-03 0.000000E+00 @@ -7349,8 +7349,8 @@ tallies: 1.915958E-04 2.060666E-01 4.246344E-02 -9.954400E-04 -9.909008E-07 +9.954401E-04 +9.909010E-07 7.940105E-02 6.304526E-03 0.000000E+00 diff --git a/tests/test_filter_mesh_3d/test_filter_mesh_3d.py b/tests/test_filter_mesh_3d/test_filter_mesh_3d.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_filter_mesh_3d/test_filter_mesh_3d.py +++ b/tests/test_filter_mesh_3d/test_filter_mesh_3d.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_filter_universe/geometry.xml b/tests/test_filter_universe/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_filter_universe/geometry.xml +++ b/tests/test_filter_universe/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_filter_universe/results.py b/tests/test_filter_universe/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_filter_universe/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_filter_universe/results_true.dat b/tests/test_filter_universe/results_true.dat index e840d6aac0..c63da0083d 100644 --- a/tests/test_filter_universe/results_true.dat +++ b/tests/test_filter_universe/results_true.dat @@ -1,11 +1,11 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: -6.144371E+01 -7.795909E+02 -7.330533E+00 -1.137816E+01 -4.850651E+01 -4.933509E+02 +tally 1: +6.369043E+01 +8.385422E+02 +7.330762E+00 +1.137874E+01 +5.011385E+01 +5.251276E+02 5.132453E+00 5.801019E+00 diff --git a/tests/test_filter_universe/test_filter_universe.py b/tests/test_filter_universe/test_filter_universe.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_filter_universe/test_filter_universe.py +++ b/tests/test_filter_universe/test_filter_universe.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_fixed_source/results.py b/tests/test_fixed_source/results.py deleted file mode 100644 index 39695b1e47..0000000000 --- a/tests/test_fixed_source/results.py +++ /dev/null @@ -1,33 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_fixed_source/results_true.dat b/tests/test_fixed_source/results_true.dat index 270879bd16..99eb15e10d 100644 --- a/tests/test_fixed_source/results_true.dat +++ b/tests/test_fixed_source/results_true.dat @@ -1,3 +1,6 @@ -tallies: +tally 1: 4.483337E+02 2.017057E+04 +leakage: +9.820000E+00 +9.648000E+00 diff --git a/tests/test_fixed_source/test_fixed_source.py b/tests/test_fixed_source/test_fixed_source.py index 962a1ca26c..e96a3ad8fe 100644 --- a/tests/test_fixed_source/test_fixed_source.py +++ b/tests/test_fixed_source/test_fixed_source.py @@ -1,64 +1,40 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import * -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' +class FixedSourceTestHarness(TestHarness): + def _get_results(self): + """Digest info in the statepoint and return as a string.""" + # Read the statepoint file. + statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))[0] + sp = StatePoint(statepoint) + sp.read_results() -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' + # Write out tally data. + outstr = '' + if self._tallies: + tally_num = 1 + for tally_ind in sp._tallies: + tally = sp._tallies[tally_ind] + results = np.zeros((tally._sum.size*2, )) + results[0::2] = tally._sum.ravel() + results[1::2] = tally._sum_sq.ravel() + results = ['{0:12.6E}'.format(x) for x in results] -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' + outstr += 'tally ' + str(tally_num) + ':\n' + outstr += '\n'.join(results) + '\n' + tally_num += 1 -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' + outstr += 'leakage:\n' + outstr += '{0:12.6E}'.format(sp._global_tallies[3][0]) + '\n' + outstr += '{0:12.6E}'.format(sp._global_tallies[3][1]) + '\n' + + return outstr -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = FixedSourceTestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_infinite_cell/geometry.xml b/tests/test_infinite_cell/geometry.xml index 77ef6110a9..e3f63354c6 100644 --- a/tests/test_infinite_cell/geometry.xml +++ b/tests/test_infinite_cell/geometry.xml @@ -3,8 +3,8 @@ - + 11 12 12 11 diff --git a/tests/test_infinite_cell/results.py b/tests/test_infinite_cell/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_infinite_cell/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_infinite_cell/test_infinite_cell.py b/tests/test_infinite_cell/test_infinite_cell.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_infinite_cell/test_infinite_cell.py +++ b/tests/test_infinite_cell/test_infinite_cell.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_lattice/geometry.xml b/tests/test_lattice/geometry.xml index 49328d5a82..89af5f1968 100644 --- a/tests/test_lattice/geometry.xml +++ b/tests/test_lattice/geometry.xml @@ -48,10 +48,9 @@ - rectangular 29 29 -0.889 -0.889 - 1.778 1.778 + 1.778 1.778 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 @@ -120,4 +119,4 @@ - \ No newline at end of file + diff --git a/tests/test_lattice/results.py b/tests/test_lattice/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_lattice/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_lattice/results_true.dat b/tests/test_lattice/results_true.dat index 4e02678c63..cf51dd5d73 100644 --- a/tests/test_lattice/results_true.dat +++ b/tests/test_lattice/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.042387E+00 1.575316E-01 +1.042388E+00 1.575316E-01 diff --git a/tests/test_lattice/test_lattice.py b/tests/test_lattice/test_lattice.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_lattice/test_lattice.py +++ b/tests/test_lattice/test_lattice.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_lattice_hex/geometry.xml b/tests/test_lattice_hex/geometry.xml new file mode 100644 index 0000000000..8b5915dcdb --- /dev/null +++ b/tests/test_lattice_hex/geometry.xml @@ -0,0 +1,199 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 011 + 011 011 + 011 011 011 + 011 011 011 011 + 011 011 011 011 011 + 011 011 011 011 011 011 + 011 011 011 011 011 011 011 + 011 011 011 011 011 011 011 011 + 011 011 011 011 011 011 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011 011 011 + 011 011 011 + 011 011 + 011 + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_lattice_hex/materials.xml b/tests/test_lattice_hex/materials.xml new file mode 100644 index 0000000000..987a25ab14 --- /dev/null +++ b/tests/test_lattice_hex/materials.xml @@ -0,0 +1,42 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_lattice_hex/plots.xml b/tests/test_lattice_hex/plots.xml new file mode 100644 index 0000000000..651c811443 --- /dev/null +++ b/tests/test_lattice_hex/plots.xml @@ -0,0 +1,32 @@ + + + + + xy_cell + 0 0 0 + 30 30 + 500 500 + + + + xy_material + 0 0 0 + 30 30 + 500 500 + + + + yz_cell + 0 0 0 + 50 400 + 500 4000 + + + + yz_material + 0 0 0 + 5 5 + 500 500 + + + diff --git a/tests/test_lattice_hex/results_true.dat b/tests/test_lattice_hex/results_true.dat new file mode 100644 index 0000000000..b88285ff2e --- /dev/null +++ b/tests/test_lattice_hex/results_true.dat @@ -0,0 +1,2 @@ +k-combined: +2.831014E-01 2.269849E-02 diff --git a/tests/test_lattice_hex/settings.xml b/tests/test_lattice_hex/settings.xml new file mode 100644 index 0000000000..810529cb13 --- /dev/null +++ b/tests/test_lattice_hex/settings.xml @@ -0,0 +1,15 @@ + + + + 10 + 5 + 500 + + + + + -8.0 -8.0 -1.5 + 8.0 8.0 1.5 + + + diff --git a/tests/test_lattice_hex/test_lattice_hex.py b/tests/test_lattice_hex/test_lattice_hex.py new file mode 100644 index 0000000000..6633e59111 --- /dev/null +++ b/tests/test_lattice_hex/test_lattice_hex.py @@ -0,0 +1,10 @@ +#!/usr/bin/env python + +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness + + +if __name__ == '__main__': + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_lattice_mixed/geometry.xml b/tests/test_lattice_mixed/geometry.xml new file mode 100644 index 0000000000..524e4d9289 --- /dev/null +++ b/tests/test_lattice_mixed/geometry.xml @@ -0,0 +1,156 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + 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+ + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_lattice_mixed/plots.xml b/tests/test_lattice_mixed/plots.xml new file mode 100644 index 0000000000..651c811443 --- /dev/null +++ b/tests/test_lattice_mixed/plots.xml @@ -0,0 +1,32 @@ + + + + + xy_cell + 0 0 0 + 30 30 + 500 500 + + + + xy_material + 0 0 0 + 30 30 + 500 500 + + + + yz_cell + 0 0 0 + 50 400 + 500 4000 + + + + yz_material + 0 0 0 + 5 5 + 500 500 + + + diff --git a/tests/test_lattice_mixed/results_true.dat b/tests/test_lattice_mixed/results_true.dat new file mode 100644 index 0000000000..d23feb91f0 --- /dev/null +++ b/tests/test_lattice_mixed/results_true.dat @@ -0,0 +1,2 @@ +k-combined: +9.605085E-01 8.180822E-03 diff --git a/tests/test_lattice_mixed/settings.xml b/tests/test_lattice_mixed/settings.xml new file mode 100644 index 0000000000..b67824d036 --- /dev/null +++ b/tests/test_lattice_mixed/settings.xml @@ -0,0 +1,15 @@ + + + + 10 + 5 + 500 + + + + + -8.0 -8.0 -176 + 8.0 8.0 176 + + + diff --git a/tests/test_lattice_mixed/test_lattice_mixed.py b/tests/test_lattice_mixed/test_lattice_mixed.py new file mode 100644 index 0000000000..6633e59111 --- /dev/null +++ b/tests/test_lattice_mixed/test_lattice_mixed.py @@ -0,0 +1,10 @@ +#!/usr/bin/env python + +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness + + +if __name__ == '__main__': + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_lattice_multiple/geometry.xml b/tests/test_lattice_multiple/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_lattice_multiple/geometry.xml +++ b/tests/test_lattice_multiple/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_lattice_multiple/results.py b/tests/test_lattice_multiple/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_lattice_multiple/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_lattice_multiple/test_lattice_multiple.py b/tests/test_lattice_multiple/test_lattice_multiple.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_lattice_multiple/test_lattice_multiple.py +++ b/tests/test_lattice_multiple/test_lattice_multiple.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_many_scores/geometry.xml b/tests/test_many_scores/geometry.xml new file mode 100644 index 0000000000..b85dd04df9 --- /dev/null +++ b/tests/test_many_scores/geometry.xml @@ -0,0 +1,181 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 17 17 + -10.71 -10.71 + 1.26 1.26 + + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 + 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 + 1 1 1 1 1 1 1 1 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3 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 + + + + + + 21 21 + -224.91 -224.91 + 21.42 21.42 + + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 + 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 + 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 5 5 5 5 5 + 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 5 + 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 + 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 + 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 + 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 + 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 5 + 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 5 5 5 5 5 + 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 + + + + + + 21 21 + -224.91 -224.91 + 21.42 21.42 + + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 + 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 + 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 7 + 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 + 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 + 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 + 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 + 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 + 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 + 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 7 + 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 + + + + diff --git a/tests/test_many_scores/materials.xml b/tests/test_many_scores/materials.xml new file mode 100644 index 0000000000..9c0b74f3f1 --- /dev/null +++ b/tests/test_many_scores/materials.xml @@ -0,0 +1,272 @@ + + + + 71c + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_many_scores/results_true.dat b/tests/test_many_scores/results_true.dat new file mode 100644 index 0000000000..191122f13e --- /dev/null +++ b/tests/test_many_scores/results_true.dat @@ -0,0 +1,111 @@ +k-combined: +0.000000E+00 0.000000E+00 +tally 1: +2.254760E+01 +1.695439E+02 +1.017400E+01 +3.450623E+01 +8.690000E+00 +2.517771E+01 +8.696000E+00 +2.521248E+01 +5.224881E-01 +9.127522E-02 +8.690000E+00 +2.517771E+01 +9.665236E-01 +3.121401E-01 +5.224881E-01 +9.127522E-02 +5.199964E-01 +9.041516E-02 +8.696000E+00 +2.521248E+01 +9.666447E-01 +3.122176E-01 +5.199964E-01 +9.041516E-02 +9.262308E+00 +2.859762E+01 +8.684000E+00 +2.514296E+01 +1.484000E+00 +7.346160E-01 +1.804688E+00 +1.089100E+00 +1.334833E+02 +5.960573E+03 +2.254760E+01 +1.695439E+02 +-6.230152E-02 +1.023784E-02 +-2.696818E-01 +8.525477E-02 +-1.670294E-01 +4.366614E-02 +1.331953E-02 +8.064039E-05 +-2.490295E-01 +2.511425E-02 +8.289978E-02 +2.753446E-03 +-1.390686E-01 +1.592673E-02 +1.600203E-01 +1.344513E-02 +1.017400E+01 +3.450623E+01 +-6.564301E-02 +2.564587E-03 +-1.245391E-01 +1.143479E-02 +-5.550309E-02 +9.334547E-03 +4.671277E-02 +1.795787E-03 +-9.901000E-02 +4.609654E-03 +2.619012E-02 +3.011793E-04 +-7.090362E-02 +2.450750E-03 +4.059073E-02 +8.841300E-04 +8.690000E+00 +2.517771E+01 +-2.685052E-02 +2.769798E-04 +4.047919E-03 +3.384947E-03 +-1.325869E-01 +8.610169E-03 +-1.594962E-02 +5.528670E-04 +-1.320550E-02 +1.856248E-04 +1.185337E-02 +3.428536E-04 +2.622196E-02 +3.774884E-04 +2.938463E-02 +6.660370E-04 +8.696000E+00 +2.521248E+01 +-2.634867E-02 +2.718345E-04 +4.042613E-03 +3.367272E-03 +-1.328903E-01 +8.576852E-03 +-1.632965E-02 +5.577169E-04 +-1.408565E-02 +1.815109E-04 +1.202519E-02 +3.685250E-04 +2.634054E-02 +3.730853E-04 +2.941341E-02 +6.479457E-04 +1.014000E+01 +3.427460E+01 diff --git a/tests/test_many_scores/settings.xml b/tests/test_many_scores/settings.xml new file mode 100644 index 0000000000..08dc0d2e12 --- /dev/null +++ b/tests/test_many_scores/settings.xml @@ -0,0 +1,19 @@ + + + + + 5 + 2 + 500 + + + + + + -160 -160 -183 + 160 160 183 + + + + + diff --git a/tests/test_many_scores/tallies.xml b/tests/test_many_scores/tallies.xml new file mode 100644 index 0000000000..1832acf67a --- /dev/null +++ b/tests/test_many_scores/tallies.xml @@ -0,0 +1,13 @@ + + + + + + + flux total scatter nu-scatter scatter-2 scatter-p2 nu-scatter-2 + nu-scatter-p2 transport n1n absorption nu-fission kappa-fission + flux-y2 total-y2 scatter-y2 nu-scatter-y2 events + + + + diff --git a/tests/test_many_scores/test_many_scores.py b/tests/test_many_scores/test_many_scores.py new file mode 100644 index 0000000000..66bfe3dfa7 --- /dev/null +++ b/tests/test_many_scores/test_many_scores.py @@ -0,0 +1,10 @@ +#!/usr/bin/env python + +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness + + +if __name__ == '__main__': + harness = TestHarness('statepoint.5.*', True) + harness.main() diff --git a/tests/test_natural_element/results.py b/tests/test_natural_element/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_natural_element/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_natural_element/test_natural_element.py b/tests/test_natural_element/test_natural_element.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_natural_element/test_natural_element.py +++ b/tests/test_natural_element/test_natural_element.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_output/results.py b/tests/test_output/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_output/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_output/test_output.py b/tests/test_output/test_output.py index 1ea9e3dbf2..1f51742ba2 100644 --- a/tests/test_output/test_output.py +++ b/tests/test_output/test_output.py @@ -1,73 +1,35 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import * -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' +class OutputTestHarness(TestHarness): + def _test_output_created(self): + """Make sure output files have been created.""" + # Check for the statepoint. + TestHarness._test_output_created(self) -def test_summary_exists(): - summary = glob.glob(os.path.join(cwd, 'summary.*')) - assert len(summary) == 1, 'Either multiple or no summary file exists.' - assert summary[0].endswith('out') or summary[0].endswith('h5'),\ - 'Summary file is not a binary or hdf5 file.' + # Check for the summary. + summary = glob.glob(os.path.join(os.getcwd(), 'summary.*')) + assert len(summary) == 1, 'Either multiple or no summary file exists.' + assert summary[0].endswith('out') or summary[0].endswith('h5'),\ + 'Summary file is not a binary or hdf5 file.' -def test_cross_sections_exists(): - assert os.path.exists(os.path.join(cwd, 'cross_sections.out')),\ - 'Cross section output file does not exist.' + # Check for the cross sections. + assert os.path.exists(os.path.join(os.getcwd(), 'cross_sections.out')),\ + 'Cross section output file does not exist.' -def test_statepoint_exists(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' + def _cleanup(self): + TestHarness._cleanup(self) + output = glob.glob(os.path.join(os.getcwd(), 'summary.*')) + output.append(os.path.join(os.getcwd(), 'cross_sections.out')) + for f in output: + if os.path.exists(f): + os.remove(f) -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) + glob.glob(os.path.join(cwd, 'summary.*')) - output.append(os.path.join(cwd, 'summary.out')) - output.append(os.path.join(cwd, 'cross_sections.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_summary_exists() - test_cross_sections_exists() - test_statepoint_exists() - test_results() - finally: - teardown() + harness = OutputTestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_particle_restart_eigval/results.py b/tests/test_particle_restart_eigval/results.py deleted file mode 100644 index 3057409bbb..0000000000 --- a/tests/test_particle_restart_eigval/results.py +++ /dev/null @@ -1,38 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import particle restart -sys.path.insert(0, '../../src/utils') -import particle_restart as pr - -# read in particle restart file -if len(sys.argv) > 1: - p = pr.Particle(sys.argv[1]) -else: - p = pr.Particle('particle_12_616.binary') - -# set up output string -outstr = '' - -# write out properties -outstr += 'current batch:\n' -outstr += "{0:12.6E}\n".format(p.current_batch) -outstr += 'current gen:\n' -outstr += "{0:12.6E}\n".format(p.current_gen) -outstr += 'particle id:\n' -outstr += "{0:12.6E}\n".format(p.id) -outstr += 'run mode:\n' -outstr += "{0:12.6E}\n".format(p.run_mode) -outstr += 'particle weight:\n' -outstr += "{0:12.6E}\n".format(p.weight) -outstr += 'particle energy:\n' -outstr += "{0:12.6E}\n".format(p.energy) -outstr += 'particle xyz:\n' -outstr += "{0:12.6E} {1:12.6E} {2:12.6E}\n".format(p.xyz[0],p.xyz[1],p.xyz[2]) -outstr += 'particle uvw:\n' -outstr += "{0:12.6E} {1:12.6E} {2:12.6E}\n".format(p.uvw[0],p.uvw[1],p.uvw[2]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_particle_restart_eigval/test_particle_restart_eigval.py b/tests/test_particle_restart_eigval/test_particle_restart_eigval.py index 1aa7035658..64123b2e09 100644 --- a/tests/test_particle_restart_eigval/test_particle_restart_eigval.py +++ b/tests/test_particle_restart_eigval/test_particle_restart_eigval.py @@ -1,68 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import ParticleRestartTestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_restart(): - particle = glob.glob(os.path.join(cwd, 'particle_12_616.*')) - assert len(particle) == 1, 'Either multiple or no particle restart files exist.' - assert particle[0].endswith('binary') or \ - particle[0].endswith('h5'), 'Particle restart file not a binary or hdf5 file.' - -def test_results(): - particle = glob.glob(os.path.join(cwd, 'particle_12_616.*')) - call(['python', 'results.py', particle[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def test_run_restart(): - particle = glob.glob(os.path.join(cwd, 'particle_12_616.*')) - proc = Popen([opts.exe, '-r', particle[0], cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'Particle restart not successful.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.*')) + \ - glob.glob(os.path.join(cwd, 'particle_*')) + \ - [os.path.join(cwd, 'results_test.dat')] - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_restart() - test_results() - test_run_restart() - finally: - teardown() + harness = ParticleRestartTestHarness('particle_12_616.*') + harness.main() diff --git a/tests/test_particle_restart_fixed/results.py b/tests/test_particle_restart_fixed/results.py deleted file mode 100644 index 84956f1d0b..0000000000 --- a/tests/test_particle_restart_fixed/results.py +++ /dev/null @@ -1,38 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import particle restart -sys.path.insert(0, '../../src/utils') -import particle_restart as pr - -# read in particle restart file -if len(sys.argv) > 1: - p = pr.Particle(sys.argv[1]) -else: - p = pr.Particle('particle_7_6144.binary') - -# set up output string -outstr = '' - -# write out properties -outstr += 'current batch:\n' -outstr += "{0:12.6E}\n".format(p.current_batch) -outstr += 'current gen:\n' -outstr += "{0:12.6E}\n".format(p.current_gen) -outstr += 'particle id:\n' -outstr += "{0:12.6E}\n".format(p.id) -outstr += 'run mode:\n' -outstr += "{0:12.6E}\n".format(p.run_mode) -outstr += 'particle weight:\n' -outstr += "{0:12.6E}\n".format(p.weight) -outstr += 'particle energy:\n' -outstr += "{0:12.6E}\n".format(p.energy) -outstr += 'particle xyz:\n' -outstr += "{0:12.6E} {1:12.6E} {2:12.6E}\n".format(p.xyz[0],p.xyz[1],p.xyz[2]) -outstr += 'particle uvw:\n' -outstr += "{0:12.6E} {1:12.6E} {2:12.6E}\n".format(p.uvw[0],p.uvw[1],p.uvw[2]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_particle_restart_fixed/test_particle_restart_fixed.py b/tests/test_particle_restart_fixed/test_particle_restart_fixed.py index 11ee1fad0c..05dcf76a68 100644 --- a/tests/test_particle_restart_fixed/test_particle_restart_fixed.py +++ b/tests/test_particle_restart_fixed/test_particle_restart_fixed.py @@ -1,68 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import ParticleRestartTestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_restart(): - particle = glob.glob(os.path.join(cwd, 'particle_7_6144.*')) - assert len(particle) == 1, 'Either multiple or no particle restart files exist.' - assert particle[0].endswith('binary') or \ - particle[0].endswith('h5'), 'Particle restart file not a binary or hdf5 file.' - -def test_results(): - particle = glob.glob(os.path.join(cwd, 'particle_7_6144.*')) - call(['python', 'results.py', particle[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def test_run_restart(): - particle = glob.glob(os.path.join(cwd, 'particle_7_6144.*')) - proc = Popen([opts.exe, '-r', particle[0], cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'Particle restart not successful.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.*')) + \ - glob.glob(os.path.join(cwd, 'particle_*')) + \ - [os.path.join(cwd, 'results_test.dat')] - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_restart() - test_results() - test_run_restart() - finally: - teardown() + harness = ParticleRestartTestHarness('particle_7_6144.*') + harness.main() diff --git a/tests/test_plot_background/results_true.dat b/tests/test_plot_background/results_true.dat new file mode 100644 index 0000000000..cea27e38e2 --- /dev/null +++ b/tests/test_plot_background/results_true.dat @@ -0,0 +1 @@ +d0a8c3cd2eb2b73430e0fcac2f5249c012ba678d08add40fc43563332e71873977b2271d1e93ba42b3c1298f987f7d01406f60115d2f1c0879d140a11b909598 \ No newline at end of file diff --git a/tests/test_plot_background/test_plot_background.py b/tests/test_plot_background/test_plot_background.py index 92afb9a48a..49cdacb05c 100644 --- a/tests/test_plot_background/test_plot_background.py +++ b/tests/test_plot_background/test_plot_background.py @@ -1,44 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import PlotTestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, '-p', cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, '-p', cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_plot_exists(): - assert os.path.exists(os.path.join(cwd ,'1_plot.ppm')), 'Plot ppm file does not exist.' - -def teardown(): - output = [os.path.join(cwd ,'1_plot.ppm')] - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_plot_exists() - finally: - teardown() + harness = PlotTestHarness(('1_plot.ppm', )) + harness.main() diff --git a/tests/test_plot_basis/results_true.dat b/tests/test_plot_basis/results_true.dat new file mode 100644 index 0000000000..ae588fd4f3 --- /dev/null +++ b/tests/test_plot_basis/results_true.dat @@ -0,0 +1 @@ +6a2400a95ea5baee432dd04a85252818d682004dc80b225b99c4bbc7cfd20d8523bd8e5df8a272df288cb2f300e5eee55f7ffa7b4d28ea64f92b78839ab0e86b \ No newline at end of file diff --git a/tests/test_plot_basis/test_plot_basis.py b/tests/test_plot_basis/test_plot_basis.py index 81d197b50d..85e30557d2 100644 --- a/tests/test_plot_basis/test_plot_basis.py +++ b/tests/test_plot_basis/test_plot_basis.py @@ -1,46 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import PlotTestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, '-p', cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, '-p', cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_plots_exists(): - assert os.path.exists(os.path.join(cwd ,'1_plot.ppm')), 'Plot 1 result does not exist.' - assert os.path.exists(os.path.join(cwd ,'2_plot.ppm')), 'Plot 2 result does not exist.' - assert os.path.exists(os.path.join(cwd ,'3_plot.ppm')), 'Plot 3 result does not exist.' - -def teardown(): - output = [os.path.join(cwd ,'1_plot.ppm'), os.path.join(cwd ,'2_plot.ppm'), os.path.join(cwd ,'3_plot.ppm')] - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_plots_exists() - finally: - teardown() + harness = PlotTestHarness(('1_plot.ppm', '2_plot.ppm', '3_plot.ppm')) + harness.main() diff --git a/tests/test_plot_colspec/results_true.dat b/tests/test_plot_colspec/results_true.dat new file mode 100644 index 0000000000..0e4eb9a59b --- /dev/null +++ b/tests/test_plot_colspec/results_true.dat @@ -0,0 +1 @@ +32acbbd7b0f777589b108333e4928b6ecd93bc9e553b04cc611da4079ff8738a03dd0667e7e17161708fde86180532f19907272356d23e8a827a736a5b4a697a \ No newline at end of file diff --git a/tests/test_plot_colspec/test_plot_colspec.py b/tests/test_plot_colspec/test_plot_colspec.py index 92afb9a48a..49cdacb05c 100644 --- a/tests/test_plot_colspec/test_plot_colspec.py +++ b/tests/test_plot_colspec/test_plot_colspec.py @@ -1,44 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import PlotTestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, '-p', cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, '-p', cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_plot_exists(): - assert os.path.exists(os.path.join(cwd ,'1_plot.ppm')), 'Plot ppm file does not exist.' - -def teardown(): - output = [os.path.join(cwd ,'1_plot.ppm')] - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_plot_exists() - finally: - teardown() + harness = PlotTestHarness(('1_plot.ppm', )) + harness.main() diff --git a/tests/test_plot_mask/results_true.dat b/tests/test_plot_mask/results_true.dat new file mode 100644 index 0000000000..1076324545 --- /dev/null +++ b/tests/test_plot_mask/results_true.dat @@ -0,0 +1 @@ +d888a734d6e69c5ca92457dc865c4defd8a1d8a1d4a01e0c8e7c528dde25d96df1283da37889dac0857329051958be2f2b491f2fd2bc22c8424a60ec6cda04bd \ No newline at end of file diff --git a/tests/test_plot_mask/test_plot_mask.py b/tests/test_plot_mask/test_plot_mask.py index 81d197b50d..85e30557d2 100644 --- a/tests/test_plot_mask/test_plot_mask.py +++ b/tests/test_plot_mask/test_plot_mask.py @@ -1,46 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import PlotTestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, '-p', cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, '-p', cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_plots_exists(): - assert os.path.exists(os.path.join(cwd ,'1_plot.ppm')), 'Plot 1 result does not exist.' - assert os.path.exists(os.path.join(cwd ,'2_plot.ppm')), 'Plot 2 result does not exist.' - assert os.path.exists(os.path.join(cwd ,'3_plot.ppm')), 'Plot 3 result does not exist.' - -def teardown(): - output = [os.path.join(cwd ,'1_plot.ppm'), os.path.join(cwd ,'2_plot.ppm'), os.path.join(cwd ,'3_plot.ppm')] - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_plots_exists() - finally: - teardown() + harness = PlotTestHarness(('1_plot.ppm', '2_plot.ppm', '3_plot.ppm')) + harness.main() diff --git a/tests/test_ptables_off/results.py b/tests/test_ptables_off/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_ptables_off/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_ptables_off/results_true.dat b/tests/test_ptables_off/results_true.dat index 4566281596..17d6e91453 100644 --- a/tests/test_ptables_off/results_true.dat +++ b/tests/test_ptables_off/results_true.dat @@ -1,2 +1,2 @@ k-combined: -2.984064E-01 3.464414E-03 +2.984064E-01 3.464413E-03 diff --git a/tests/test_ptables_off/test_ptables_off.py b/tests/test_ptables_off/test_ptables_off.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_ptables_off/test_ptables_off.py +++ b/tests/test_ptables_off/test_ptables_off.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_reflective_cone/results.py b/tests/test_reflective_cone/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_reflective_cone/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_reflective_cone/test_reflective_cone.py b/tests/test_reflective_cone/test_reflective_cone.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_reflective_cone/test_reflective_cone.py +++ b/tests/test_reflective_cone/test_reflective_cone.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_reflective_cylinder/results.py b/tests/test_reflective_cylinder/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_reflective_cylinder/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_reflective_cylinder/results_true.dat b/tests/test_reflective_cylinder/results_true.dat index 8b58143354..f98c517889 100644 --- a/tests/test_reflective_cylinder/results_true.dat +++ b/tests/test_reflective_cylinder/results_true.dat @@ -1,2 +1,2 @@ k-combined: -2.276055E+00 3.186525E-03 +2.276055E+00 3.186526E-03 diff --git a/tests/test_reflective_cylinder/test_reflective_cylinder.py b/tests/test_reflective_cylinder/test_reflective_cylinder.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_reflective_cylinder/test_reflective_cylinder.py +++ b/tests/test_reflective_cylinder/test_reflective_cylinder.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_reflective_plane/results.py b/tests/test_reflective_plane/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_reflective_plane/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_reflective_plane/test_reflective_plane.py b/tests/test_reflective_plane/test_reflective_plane.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_reflective_plane/test_reflective_plane.py +++ b/tests/test_reflective_plane/test_reflective_plane.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_reflective_sphere/results.py b/tests/test_reflective_sphere/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_reflective_sphere/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_reflective_sphere/results_true.dat b/tests/test_reflective_sphere/results_true.dat index 46a6c278c9..47aa5c763e 100644 --- a/tests/test_reflective_sphere/results_true.dat +++ b/tests/test_reflective_sphere/results_true.dat @@ -1,2 +1,2 @@ k-combined: -2.276020E+00 2.831786E-03 +2.280812E+00 5.087968E-03 diff --git a/tests/test_reflective_sphere/test_reflective_sphere.py b/tests/test_reflective_sphere/test_reflective_sphere.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_reflective_sphere/test_reflective_sphere.py +++ b/tests/test_reflective_sphere/test_reflective_sphere.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_resonance_scattering/results.py b/tests/test_resonance_scattering/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_resonance_scattering/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_resonance_scattering/test_resonance_scattering.py b/tests/test_resonance_scattering/test_resonance_scattering.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_resonance_scattering/test_resonance_scattering.py +++ b/tests/test_resonance_scattering/test_resonance_scattering.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_rotation/results.py b/tests/test_rotation/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_rotation/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_rotation/test_rotation.py b/tests/test_rotation/test_rotation.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_rotation/test_rotation.py +++ b/tests/test_rotation/test_rotation.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_salphabeta/results.py b/tests/test_salphabeta/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_salphabeta/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_salphabeta/test_salphabeta.py b/tests/test_salphabeta/test_salphabeta.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_salphabeta/test_salphabeta.py +++ b/tests/test_salphabeta/test_salphabeta.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_salphabeta_multiple/results.py b/tests/test_salphabeta_multiple/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_salphabeta_multiple/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_salphabeta_multiple/test_salphabeta_multiple.py b/tests/test_salphabeta_multiple/test_salphabeta_multiple.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_salphabeta_multiple/test_salphabeta_multiple.py +++ b/tests/test_salphabeta_multiple/test_salphabeta_multiple.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_score_MT/geometry.xml b/tests/test_score_MT/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_MT/geometry.xml +++ b/tests/test_score_MT/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_MT/results.py b/tests/test_score_MT/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_score_MT/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_MT/results_true.dat b/tests/test_score_MT/results_true.dat index 91ae452f95..03b91f89fa 100644 --- a/tests/test_score_MT/results_true.dat +++ b/tests/test_score_MT/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 diff --git a/tests/test_score_MT/test_score_MT.py b/tests/test_score_MT/test_score_MT.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_MT/test_score_MT.py +++ b/tests/test_score_MT/test_score_MT.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_absorption/geometry.xml b/tests/test_score_absorption/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_absorption/geometry.xml +++ b/tests/test_score_absorption/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_absorption/results.py b/tests/test_score_absorption/results.py deleted file mode 100644 index fa385bc37f..0000000000 --- a/tests/test_score_absorption/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_absorption/test_score_absorption.py b/tests/test_score_absorption/test_score_absorption.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_absorption/test_score_absorption.py +++ b/tests/test_score_absorption/test_score_absorption.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_current/geometry.xml b/tests/test_score_current/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_current/geometry.xml +++ b/tests/test_score_current/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_current/results.py b/tests/test_score_current/results.py deleted file mode 100644 index fa385bc37f..0000000000 --- a/tests/test_score_current/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_current/results_true.dat b/tests/test_score_current/results_true.dat index 84d1b489cd..09d9a8ecf6 100644 --- a/tests/test_score_current/results_true.dat +++ b/tests/test_score_current/results_true.dat @@ -1,209956 +1 @@ -k-combined: -1.093844E+00 1.626801E-02 -tally 1: -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 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-1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import HashedTestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = HashedTestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_events/geometry.xml b/tests/test_score_events/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_events/geometry.xml +++ b/tests/test_score_events/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_events/results.py b/tests/test_score_events/results.py deleted file mode 100644 index fa385bc37f..0000000000 --- a/tests/test_score_events/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_events/test_score_events.py b/tests/test_score_events/test_score_events.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_events/test_score_events.py +++ b/tests/test_score_events/test_score_events.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_fission/geometry.xml b/tests/test_score_fission/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_fission/geometry.xml +++ b/tests/test_score_fission/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_fission/results.py b/tests/test_score_fission/results.py deleted file mode 100644 index fa385bc37f..0000000000 --- a/tests/test_score_fission/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_fission/results_true.dat b/tests/test_score_fission/results_true.dat index a79228e577..1a3d333838 100644 --- a/tests/test_score_fission/results_true.dat +++ b/tests/test_score_fission/results_true.dat @@ -8,7 +8,7 @@ tally 1: 0.000000E+00 0.000000E+00 9.094323E-01 -1.773089E-01 +1.773090E-01 tally 2: 1.081920E+00 2.404883E-01 diff --git a/tests/test_score_fission/test_score_fission.py b/tests/test_score_fission/test_score_fission.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_fission/test_score_fission.py +++ b/tests/test_score_fission/test_score_fission.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_flux/geometry.xml b/tests/test_score_flux/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_flux/geometry.xml +++ b/tests/test_score_flux/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_flux/results.py b/tests/test_score_flux/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_score_flux/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_flux/results_true.dat b/tests/test_score_flux/results_true.dat index ecab5d7fb1..9c21a0f3d8 100644 --- a/tests/test_score_flux/results_true.dat +++ b/tests/test_score_flux/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 3.403102E+01 2.393236E+02 1.143060E+01 diff --git a/tests/test_score_flux/test_score_flux.py b/tests/test_score_flux/test_score_flux.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_flux/test_score_flux.py +++ b/tests/test_score_flux/test_score_flux.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_flux_yn/geometry.xml b/tests/test_score_flux_yn/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_flux_yn/geometry.xml +++ b/tests/test_score_flux_yn/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_flux_yn/results.py b/tests/test_score_flux_yn/results.py deleted file mode 100644 index fa385bc37f..0000000000 --- a/tests/test_score_flux_yn/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_flux_yn/results_true.dat b/tests/test_score_flux_yn/results_true.dat index 9a2d5f3230..8c04c7c898 100644 --- a/tests/test_score_flux_yn/results_true.dat +++ b/tests/test_score_flux_yn/results_true.dat @@ -46,7 +46,7 @@ tally 2: 5.069422E-02 -2.045060E-01 2.197889E-01 -1.307603E-01 +1.307602E-01 5.938649E-02 -3.317004E-01 1.359233E-01 @@ -54,7 +54,7 @@ tally 2: 7.528253E-02 7.685982E-02 4.559715E-02 --4.668783E-02 +-4.668784E-02 4.065614E-02 1.447872E-01 5.538956E-02 @@ -67,7 +67,7 @@ tally 2: -3.028859E-01 3.382353E-02 -2.320613E-01 -2.845905E-02 +2.845904E-02 8.038034E-02 3.466746E-02 1.766484E-01 @@ -90,17 +90,17 @@ tally 2: 2.704386E+01 -1.955516E-01 9.789273E-03 -4.070150E-02 +4.070149E-02 3.530892E-02 -1.446334E-01 3.374966E-02 --4.072015E-02 +-4.072014E-02 1.407320E-02 1.056190E-01 2.144988E-02 -1.491728E-01 1.699068E-02 -3.130539E-02 +3.130540E-02 4.945783E-03 -1.706770E-01 6.943395E-03 @@ -121,17 +121,17 @@ tally 2: 9.919028E-02 1.278789E-02 -1.274511E-01 -9.357942E-03 +9.357943E-03 -9.037073E-02 4.686665E-03 -7.895199E-03 8.526809E-03 --2.071828E-02 -5.844892E-03 +-2.071827E-02 +5.844891E-03 -1.422877E-02 2.008170E-03 -7.787500E-02 -9.642363E-03 +9.642362E-03 -6.105504E-02 7.600775E-03 -1.249117E-01 @@ -141,20 +141,20 @@ tally 2: -9.171222E-02 4.220465E-03 8.798390E-02 -5.037482E-03 +5.037483E-03 4.366496E-02 8.411743E-03 1.605678E-02 -6.994512E-03 +6.994511E-03 -2.179875E-02 1.352098E-03 1.116755E-01 -7.354423E-03 +7.354424E-03 9.995739E-02 -9.710025E-03 +9.710026E-03 3.010324E-02 1.179938E-02 -2.175816E-02 +2.175815E-02 1.281441E-03 2.374886E-02 6.943432E-03 @@ -188,7 +188,7 @@ tally 2: 4.811523E-01 -4.932440E-01 1.789106E-01 --3.705747E-02 +-3.705746E-02 5.517840E-01 7.049764E-01 4.243943E-01 @@ -196,7 +196,7 @@ tally 2: 2.014189E-01 -5.420278E-01 1.201572E-01 -7.606098E-02 +7.606099E-02 1.451071E-01 2.244026E-01 7.628680E-02 @@ -206,7 +206,7 @@ tally 2: 1.958724E-01 -3.799191E-01 2.258678E-01 --5.909625E-01 +-5.909624E-01 2.940322E-01 -6.336238E-01 1.272552E-01 @@ -232,7 +232,7 @@ tally 2: 2.482914E-01 2.924945E+01 1.782032E+02 -5.986907E-01 +5.986908E-01 4.163713E-01 3.376452E-01 1.744277E-01 @@ -258,7 +258,7 @@ tally 2: 5.960686E-02 -9.968550E-02 4.039270E-02 --1.235292E-02 +-1.235291E-02 2.805714E-01 -7.494860E-02 2.838999E-02 @@ -281,7 +281,7 @@ tally 2: 7.284620E-01 1.871262E-01 1.360134E-01 -9.437336E-03 +9.437335E-03 -3.088199E-01 2.292832E-02 -2.543226E-01 @@ -306,39 +306,39 @@ tally 2: 2.067319E+01 2.381967E-01 4.786935E-02 --1.924307E-02 +-1.924308E-02 4.029344E-02 3.179175E-02 2.098033E-02 --1.652307E-02 +-1.652308E-02 9.391525E-03 --5.733037E-02 -1.788394E-02 +-5.733039E-02 +1.788395E-02 4.942155E-02 1.206623E-03 -1.874859E-02 +1.874861E-02 1.917059E-02 -1.179838E-01 2.185564E-02 --9.270518E-03 +-9.270508E-03 1.659002E-02 -7.496510E-02 +7.496511E-02 6.849931E-03 -1.004441E-01 4.570271E-03 --9.899603E-02 +-9.899601E-02 1.027435E-02 --9.963859E-02 +-9.963860E-02 4.686519E-03 -1.740638E-02 3.936514E-02 -2.520348E-02 +2.520349E-02 5.900520E-03 1.227791E-03 6.173783E-03 -3.068441E-02 -6.867403E-03 --7.765653E-02 +6.867402E-03 +-7.765654E-02 1.399383E-02 7.333551E-02 4.139444E-03 @@ -348,29 +348,29 @@ tally 2: 4.918888E-03 -1.106116E-01 1.143785E-02 -7.254492E-03 -1.337966E-03 +7.254477E-03 +1.337965E-03 2.365948E-01 2.473485E-02 5.176646E-02 1.514750E-03 --8.723609E-02 -2.395099E-03 +-8.723610E-02 +2.395100E-03 -1.010207E-01 1.081070E-02 -5.113298E-02 6.053279E-03 -1.601115E-01 8.304230E-03 --5.105346E-03 +-5.105345E-03 5.079654E-03 -8.894549E-02 2.505026E-03 -1.023874E-01 4.311776E-03 -7.972835E-02 +7.972837E-02 1.178305E-02 --2.560943E-02 +-2.560942E-02 4.101793E-03 2.312203E-02 3.036209E-03 @@ -382,7 +382,7 @@ tally 2: 1.400732E+00 4.934620E-01 7.673322E-01 --2.964444E-02 +-2.964442E-02 2.262500E-01 -2.225956E-01 4.872938E-01 @@ -418,15 +418,15 @@ tally 2: 2.484316E-01 -2.258513E-01 8.839687E-02 --9.307566E-01 +-9.307565E-01 4.802462E-01 1.108577E-01 -4.451362E-02 +4.451363E-02 1.118965E+00 5.173979E-01 4.314600E-01 5.176751E-02 --2.864060E-01 +-2.864059E-01 9.159895E-02 -4.471918E-01 1.743046E-01 diff --git a/tests/test_score_flux_yn/test_score_flux_yn.py b/tests/test_score_flux_yn/test_score_flux_yn.py old mode 100644 new mode 100755 index 6e54389fc1..1777db993e --- a/tests/test_score_flux_yn/test_score_flux_yn.py +++ b/tests/test_score_flux_yn/test_score_flux_yn.py @@ -1,62 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - test_run() - test_created_statepoint() - test_output_exists() - test_results() - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_kappafission/geometry.xml b/tests/test_score_kappafission/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_kappafission/geometry.xml +++ b/tests/test_score_kappafission/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_kappafission/results.py b/tests/test_score_kappafission/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_score_kappafission/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_kappafission/results_true.dat b/tests/test_score_kappafission/results_true.dat index d0a8d85021..f9f4c44b9a 100644 --- a/tests/test_score_kappafission/results_true.dat +++ b/tests/test_score_kappafission/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 2.135627E+02 9.364189E+03 0.000000E+00 diff --git a/tests/test_score_kappafission/test_score_kappafission.py b/tests/test_score_kappafission/test_score_kappafission.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_kappafission/test_score_kappafission.py +++ b/tests/test_score_kappafission/test_score_kappafission.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_nufission/geometry.xml b/tests/test_score_nufission/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_nufission/geometry.xml +++ b/tests/test_score_nufission/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_nufission/results.py b/tests/test_score_nufission/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_score_nufission/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_nufission/results_true.dat b/tests/test_score_nufission/results_true.dat index 72ca819eae..21d6586b68 100644 --- a/tests/test_score_nufission/results_true.dat +++ b/tests/test_score_nufission/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 2.879098E+00 1.700626E+00 0.000000E+00 diff --git a/tests/test_score_nufission/test_score_nufission.py b/tests/test_score_nufission/test_score_nufission.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_nufission/test_score_nufission.py +++ b/tests/test_score_nufission/test_score_nufission.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_nuscatter/geometry.xml b/tests/test_score_nuscatter/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_nuscatter/geometry.xml +++ b/tests/test_score_nuscatter/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_nuscatter/results.py b/tests/test_score_nuscatter/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_score_nuscatter/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_nuscatter/results_true.dat b/tests/test_score_nuscatter/results_true.dat index 6dab56d44d..e2be939c75 100644 --- a/tests/test_score_nuscatter/results_true.dat +++ b/tests/test_score_nuscatter/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 0.000000E+00 0.000000E+00 1.239000E+01 diff --git a/tests/test_score_nuscatter/test_score_nuscatter.py b/tests/test_score_nuscatter/test_score_nuscatter.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_nuscatter/test_score_nuscatter.py +++ b/tests/test_score_nuscatter/test_score_nuscatter.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_nuscatter_n/geometry.xml b/tests/test_score_nuscatter_n/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_nuscatter_n/geometry.xml +++ b/tests/test_score_nuscatter_n/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_nuscatter_n/results.py b/tests/test_score_nuscatter_n/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_score_nuscatter_n/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_nuscatter_n/results_true.dat b/tests/test_score_nuscatter_n/results_true.dat index 638fa5e900..9b84b70786 100644 --- a/tests/test_score_nuscatter_n/results_true.dat +++ b/tests/test_score_nuscatter_n/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 1.239000E+01 3.172630E+01 1.431689E+00 diff --git a/tests/test_score_nuscatter_n/test_score_nuscatter_n.py b/tests/test_score_nuscatter_n/test_score_nuscatter_n.py index 6e54389fc1..1777db993e 100644 --- a/tests/test_score_nuscatter_n/test_score_nuscatter_n.py +++ b/tests/test_score_nuscatter_n/test_score_nuscatter_n.py @@ -1,62 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - test_run() - test_created_statepoint() - test_output_exists() - test_results() - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_nuscatter_pn/geometry.xml b/tests/test_score_nuscatter_pn/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_nuscatter_pn/geometry.xml +++ b/tests/test_score_nuscatter_pn/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_nuscatter_pn/results.py b/tests/test_score_nuscatter_pn/results.py deleted file mode 100644 index fa385bc37f..0000000000 --- a/tests/test_score_nuscatter_pn/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_nuscatter_pn/test_score_nuscatter_pn.py b/tests/test_score_nuscatter_pn/test_score_nuscatter_pn.py index 6e54389fc1..1777db993e 100644 --- a/tests/test_score_nuscatter_pn/test_score_nuscatter_pn.py +++ b/tests/test_score_nuscatter_pn/test_score_nuscatter_pn.py @@ -1,62 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - test_run() - test_created_statepoint() - test_output_exists() - test_results() - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_nuscatter_yn/geometry.xml b/tests/test_score_nuscatter_yn/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_nuscatter_yn/geometry.xml +++ b/tests/test_score_nuscatter_yn/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_nuscatter_yn/results.py b/tests/test_score_nuscatter_yn/results.py deleted file mode 100644 index fa385bc37f..0000000000 --- a/tests/test_score_nuscatter_yn/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_nuscatter_yn/test_score_nuscatter_yn.py b/tests/test_score_nuscatter_yn/test_score_nuscatter_yn.py index 6e54389fc1..1777db993e 100644 --- a/tests/test_score_nuscatter_yn/test_score_nuscatter_yn.py +++ b/tests/test_score_nuscatter_yn/test_score_nuscatter_yn.py @@ -1,62 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - test_run() - test_created_statepoint() - test_output_exists() - test_results() - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_scatter/geometry.xml b/tests/test_score_scatter/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_scatter/geometry.xml +++ b/tests/test_score_scatter/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_scatter/results.py b/tests/test_score_scatter/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_score_scatter/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_scatter/results_true.dat b/tests/test_score_scatter/results_true.dat index bc73884816..9619e0f49d 100644 --- a/tests/test_score_scatter/results_true.dat +++ b/tests/test_score_scatter/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 0.000000E+00 0.000000E+00 1.290818E+01 diff --git a/tests/test_score_scatter/test_score_scatter.py b/tests/test_score_scatter/test_score_scatter.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_scatter/test_score_scatter.py +++ b/tests/test_score_scatter/test_score_scatter.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_scatter_n/geometry.xml b/tests/test_score_scatter_n/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_scatter_n/geometry.xml +++ b/tests/test_score_scatter_n/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_scatter_n/results.py b/tests/test_score_scatter_n/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_score_scatter_n/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_scatter_n/results_true.dat b/tests/test_score_scatter_n/results_true.dat index d7a49c1f34..418eabad78 100644 --- a/tests/test_score_scatter_n/results_true.dat +++ b/tests/test_score_scatter_n/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 1.238000E+01 3.168320E+01 1.437080E+00 diff --git a/tests/test_score_scatter_n/test_score_scatter_n.py b/tests/test_score_scatter_n/test_score_scatter_n.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_scatter_n/test_score_scatter_n.py +++ b/tests/test_score_scatter_n/test_score_scatter_n.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_scatter_pn/geometry.xml b/tests/test_score_scatter_pn/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_scatter_pn/geometry.xml +++ b/tests/test_score_scatter_pn/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_scatter_pn/results.py b/tests/test_score_scatter_pn/results.py deleted file mode 100644 index fa385bc37f..0000000000 --- a/tests/test_score_scatter_pn/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_scatter_pn/test_score_scatter_pn.py b/tests/test_score_scatter_pn/test_score_scatter_pn.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_scatter_pn/test_score_scatter_pn.py +++ b/tests/test_score_scatter_pn/test_score_scatter_pn.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_scatter_yn/geometry.xml b/tests/test_score_scatter_yn/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_scatter_yn/geometry.xml +++ b/tests/test_score_scatter_yn/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_scatter_yn/results.py b/tests/test_score_scatter_yn/results.py deleted file mode 100644 index fa385bc37f..0000000000 --- a/tests/test_score_scatter_yn/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_scatter_yn/test_score_scatter_yn.py b/tests/test_score_scatter_yn/test_score_scatter_yn.py index 6e54389fc1..1777db993e 100644 --- a/tests/test_score_scatter_yn/test_score_scatter_yn.py +++ b/tests/test_score_scatter_yn/test_score_scatter_yn.py @@ -1,62 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - test_run() - test_created_statepoint() - test_output_exists() - test_results() - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_total/geometry.xml b/tests/test_score_total/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_total/geometry.xml +++ b/tests/test_score_total/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_total/results.py b/tests/test_score_total/results.py deleted file mode 100644 index fd27b041a2..0000000000 --- a/tests/test_score_total/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results = sp.tallies[0].results -shape = results.shape -size = (np.product(shape)) -results = np.reshape(results, size) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_total/results_true.dat b/tests/test_score_total/results_true.dat index 0a1924c5d7..0838e7baed 100644 --- a/tests/test_score_total/results_true.dat +++ b/tests/test_score_total/results_true.dat @@ -1,6 +1,6 @@ k-combined: 1.093844E+00 1.626801E-02 -tallies: +tally 1: 0.000000E+00 0.000000E+00 1.517577E+01 diff --git a/tests/test_score_total/test_score_total.py b/tests/test_score_total/test_score_total.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_score_total/test_score_total.py +++ b/tests/test_score_total/test_score_total.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_score_total_yn/geometry.xml b/tests/test_score_total_yn/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_score_total_yn/geometry.xml +++ b/tests/test_score_total_yn/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_score_total_yn/results.py b/tests/test_score_total_yn/results.py deleted file mode 100644 index fa385bc37f..0000000000 --- a/tests/test_score_total_yn/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_score_total_yn/results_true.dat b/tests/test_score_total_yn/results_true.dat index b78df10085..b2dcd39e12 100644 --- a/tests/test_score_total_yn/results_true.dat +++ b/tests/test_score_total_yn/results_true.dat @@ -60,6 +60,106 @@ tally 2: 0.000000E+00 0.000000E+00 0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +8.795501E-01 +1.600341E-01 +-1.530661E-02 +5.215322E-04 +1.571095E-02 +9.166057E-04 +7.226990E-03 +3.683499E-04 +-2.456165E-02 +1.571441E-04 +1.387449E-02 +5.600648E-04 +-2.186870E-02 +2.081164E-04 +-1.106814E-02 +1.065144E-04 +-4.579593E-03 +2.008225E-04 +7.573253E-03 +2.493075E-04 +-1.505016E-02 +1.451400E-04 +1.503792E-02 +9.539029E-05 +-1.183668E-02 +1.741393E-04 +4.060912E-03 +5.890591E-05 +1.789747E-02 +8.239749E-05 +-2.168438E-02 +1.555757E-04 +-1.045826E-02 +8.108402E-05 +1.227413E-02 +2.502871E-04 +-2.806122E-02 +1.886120E-04 +-4.918718E-03 +2.129038E-04 +-1.014729E-02 +6.914145E-05 +-5.873760E-03 +2.229738E-04 +6.666511E-03 +1.394147E-04 +-3.245528E-03 +1.550876E-04 +-1.037659E-02 +2.163837E-04 1.517577E+01 4.747271E+01 -2.463504E-01 @@ -92,7 +192,7 @@ tally 2: 6.688120E-03 -8.231311E-02 2.743044E-02 -1.172791E-02 +1.172790E-02 1.089457E-02 -1.545389E-01 2.655167E-02 @@ -101,7 +201,7 @@ tally 2: 2.773254E-02 1.070478E-02 -2.522703E-02 -1.136506E-02 +1.136507E-02 -1.287564E-02 4.969443E-03 3.471629E-02 @@ -110,6 +210,56 @@ tally 2: 2.383142E-02 -1.463402E-01 1.526988E-02 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 3.151504E+00 2.051857E+00 -4.923938E-02 @@ -127,39 +277,89 @@ tally 2: 5.659008E-03 4.488733E-04 -1.625829E-02 -2.325229E-04 +2.325228E-04 2.554220E-02 7.666018E-04 -2.251672E-02 7.703442E-04 --8.302473E-03 +-8.302474E-03 2.748216E-04 -7.692439E-02 2.167893E-03 -7.267773E-03 -7.781908E-04 +7.267774E-03 +7.781907E-04 6.821338E-03 -9.518921E-04 +9.518920E-04 -2.203951E-02 2.214610E-03 2.052514E-02 3.756195E-04 --4.158574E-02 -9.330261E-04 +-4.158575E-02 +9.330262E-04 -3.000932E-02 4.584914E-04 -2.247072E-02 2.519845E-04 1.589401E-02 2.302726E-04 --7.793790E-04 +-7.793787E-04 1.588955E-04 --4.634908E-03 +-4.634907E-03 5.395803E-04 -1.193817E-02 1.674419E-04 -1.682320E-02 8.389254E-04 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 4.536316E+01 4.258781E+02 -6.747275E-01 @@ -168,7 +368,7 @@ tally 2: 4.167797E-01 -4.347270E-01 3.702158E-01 --7.344612E-02 +-7.344613E-02 5.940699E-02 1.081217E+00 4.070812E-01 @@ -177,7 +377,7 @@ tally 2: 2.656115E-01 8.561866E-02 -1.286933E-01 -8.347413E-02 +8.347414E-02 1.258195E-01 3.329577E-02 -3.751107E-01 @@ -206,7 +406,7 @@ tally 2: 5.017106E-02 2.266133E-01 1.131899E-01 -7.161674E-04 +7.161662E-04 3.345992E-02 -1.987041E-01 1.381432E-01 diff --git a/tests/test_score_total_yn/tallies.xml b/tests/test_score_total_yn/tallies.xml index df6de1c134..ca5dcd2dcb 100644 --- a/tests/test_score_total_yn/tallies.xml +++ b/tests/test_score_total_yn/tallies.xml @@ -9,6 +9,7 @@ total-y4 + U-235 total diff --git a/tests/test_score_total_yn/test_score_total_yn.py b/tests/test_score_total_yn/test_score_total_yn.py index 6e54389fc1..1777db993e 100644 --- a/tests/test_score_total_yn/test_score_total_yn.py +++ b/tests/test_score_total_yn/test_score_total_yn.py @@ -1,62 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - test_run() - test_created_statepoint() - test_output_exists() - test_results() - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_seed/results.py b/tests/test_seed/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_seed/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_seed/test_seed.py b/tests/test_seed/test_seed.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_seed/test_seed.py +++ b/tests/test_seed/test_seed.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_source_angle_mono/results.py b/tests/test_source_angle_mono/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_source_angle_mono/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_source_angle_mono/results_true.dat b/tests/test_source_angle_mono/results_true.dat index e8ca8b9ea3..1aca9a5057 100644 --- a/tests/test_source_angle_mono/results_true.dat +++ b/tests/test_source_angle_mono/results_true.dat @@ -1,2 +1,2 @@ k-combined: -3.034005E-01 5.499078E-03 +3.034005E-01 5.499077E-03 diff --git a/tests/test_source_angle_mono/test_source_angle_mono.py b/tests/test_source_angle_mono/test_source_angle_mono.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_source_angle_mono/test_source_angle_mono.py +++ b/tests/test_source_angle_mono/test_source_angle_mono.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_source_energy_maxwell/results.py b/tests/test_source_energy_maxwell/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_source_energy_maxwell/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_source_energy_maxwell/test_source_energy_maxwell.py b/tests/test_source_energy_maxwell/test_source_energy_maxwell.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_source_energy_maxwell/test_source_energy_maxwell.py +++ b/tests/test_source_energy_maxwell/test_source_energy_maxwell.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_source_energy_mono/results.py b/tests/test_source_energy_mono/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_source_energy_mono/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_source_energy_mono/test_source_energy_mono.py b/tests/test_source_energy_mono/test_source_energy_mono.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_source_energy_mono/test_source_energy_mono.py +++ b/tests/test_source_energy_mono/test_source_energy_mono.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_source_file/results.py b/tests/test_source_file/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_source_file/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_source_file/settings.xml b/tests/test_source_file/settings.xml index 17d4ee2e2e..4464d43696 100644 --- a/tests/test_source_file/settings.xml +++ b/tests/test_source_file/settings.xml @@ -1,19 +1,15 @@ - - 10 5 1000 - -4 -4 -4 4 4 4 - diff --git a/tests/test_source_file/test_source_file.py b/tests/test_source_file/test_source_file.py index 43e8963ecf..d9aaa9a0fa 100644 --- a/tests/test_source_file/test_source_file.py +++ b/tests/test_source_file/test_source_file.py @@ -1,118 +1,102 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import * -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() settings1=""" - - 10 5 1000 - -4 -4 -4 4 4 4 - """ settings2 = """ - 10 5 1000 - source.10.{0} - """ -def test_run1(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' -def test_statepoint_exists(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - source = glob.glob(os.path.join(cwd, 'source.10.*')) - assert len(statepoint) == 1, 'Either multple or no source files exist.' - assert source[0].endswith('binary') or source[0].endswith('h5'),\ - 'Source file is not a binary or hdf5 file.' +class SourceFileTestHarness(TestHarness): + def execute_test(self): + """Run OpenMC with the appropriate arguments and check the outputs.""" + try: + self._run_openmc() + self._test_output_created() + self._run_openmc_restart() + results = self._get_results() + self._write_results(results) + self._compare_results() + finally: + self._cleanup() -def test_run2(): - openmc_path = os.path.join(cwd, '../../src/openmc') - source = glob.glob(os.path.join(cwd, 'source.10.*')) - with open('settings.xml','w') as fh: - fh.write(settings2.format(source[0].split('.')[-1])) - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' + def update_results(self): + """Update the results_true using the current version of OpenMC.""" + try: + self._run_openmc() + self._test_output_created() + self._run_openmc_restart() + results = self._get_results() + self._write_results(results) + self._overwrite_results() + finally: + self._cleanup() -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' + def _test_output_created(self): + """Make sure statepoint and source files have been created.""" + statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name)) + assert len(statepoint) == 1, 'Either multiple or no statepoint files ' \ + 'exist.' + assert statepoint[0].endswith('binary') \ + or statepoint[0].endswith('h5'), \ + 'Statepoint file is not a binary or hdf5 file.' + + source = glob.glob(os.path.join(os.getcwd(), 'source.10.*')) + assert len(source) == 1, 'Either multiple or no source files exist.' + assert source[0].endswith('binary') \ + or source[0].endswith('h5'), \ + 'Source file is not a binary or hdf5 file.' + + def _run_openmc_restart(self): + # Get the name of the source file. + source = glob.glob(os.path.join(os.getcwd(), 'source.10.*')) + + # Write the new settings.xml file. + with open('settings.xml','w') as fh: + fh.write(settings2.format(source[0].split('.')[-1])) + + # Run OpenMC. + self._run_openmc() + + def _cleanup(self): + TestHarness._cleanup(self) + output = glob.glob(os.path.join(os.getcwd(), 'source.*')) + for f in output: + if os.path.exists(f): + os.remove(f) + with open('settings.xml','w') as fh: + fh.write(settings1) -def teardown(): - with open('settings.xml','w') as fh: - fh.write(settings1) - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output += glob.glob(os.path.join(cwd, 'source.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run1() - test_statepoint_exists() - test_run2() - test_results() - finally: - teardown() + harness = SourceFileTestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_source_point/results.py b/tests/test_source_point/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_source_point/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_source_point/test_source_point.py b/tests/test_source_point/test_source_point.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_source_point/test_source_point.py +++ b/tests/test_source_point/test_source_point.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_sourcepoint_batch/results.py b/tests/test_sourcepoint_batch/results.py deleted file mode 100644 index 1f9f4f1a8d..0000000000 --- a/tests/test_sourcepoint_batch/results.py +++ /dev/null @@ -1,32 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.08.binary') -sp.read_results() -sp.read_source() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out xyz -xyz = sp.source[0].xyz -for i in xyz: - outstr += "{0:12.6E} ".format(i) -outstr += "\n" - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_sourcepoint_batch/results_true.dat b/tests/test_sourcepoint_batch/results_true.dat index e7232e5f8b..6dd7a8a220 100644 --- a/tests/test_sourcepoint_batch/results_true.dat +++ b/tests/test_sourcepoint_batch/results_true.dat @@ -1,3 +1,3 @@ k-combined: 0.000000E+00 0.000000E+00 -1.892327E+00 -3.385257E+00 6.702634E-01 +1.892327E+00 -3.385257E+00 6.702634E-01 diff --git a/tests/test_sourcepoint_batch/test_sourcepoint_batch.py b/tests/test_sourcepoint_batch/test_sourcepoint_batch.py index 4258a54de7..8cafb41084 100644 --- a/tests/test_sourcepoint_batch/test_sourcepoint_batch.py +++ b/tests/test_sourcepoint_batch/test_sourcepoint_batch.py @@ -1,59 +1,38 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import * -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' +class SourcepointTestHarness(TestHarness): + def _test_output_created(self): + """Make sure statepoint.* files have been created.""" + statepoint = glob.glob(os.path.join(os.getcwd(), 'statepoint.*')) + assert len(statepoint) == 5, '5 statepoint files must exist.' + assert statepoint[0].endswith('binary') \ + or statepoint[0].endswith('h5'), \ + 'Statepoint file is not a binary or hdf5 file.' -def test_statepoint_exists(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.*')) - assert len(statepoint) == 5, '5 statepoint files must exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file detected that is not binary or hdf5.' + def _get_results(self): + """Digest info in the statepoint and return as a string.""" + # Read the statepoint file. + statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))[0] + sp = StatePoint(statepoint) + sp.read_results() + sp.read_source() -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.08.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do no agree.' + # Get the eigenvalue information. + outstr = TestHarness._get_results(self) + + # Add the source information. + xyz = sp._source[0]._xyz + outstr += ' '.join(['{0:12.6E}'.format(x) for x in xyz]) + outstr += "\n" + + return outstr -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_statepoint_exists() - test_results() - finally: - teardown() + harness = SourcepointTestHarness('statepoint.08.*') + harness.main() diff --git a/tests/test_sourcepoint_interval/results.py b/tests/test_sourcepoint_interval/results.py deleted file mode 100644 index 1f9f4f1a8d..0000000000 --- a/tests/test_sourcepoint_interval/results.py +++ /dev/null @@ -1,32 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.08.binary') -sp.read_results() -sp.read_source() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out xyz -xyz = sp.source[0].xyz -for i in xyz: - outstr += "{0:12.6E} ".format(i) -outstr += "\n" - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_sourcepoint_interval/results_true.dat b/tests/test_sourcepoint_interval/results_true.dat index e7232e5f8b..6dd7a8a220 100644 --- a/tests/test_sourcepoint_interval/results_true.dat +++ b/tests/test_sourcepoint_interval/results_true.dat @@ -1,3 +1,3 @@ k-combined: 0.000000E+00 0.000000E+00 -1.892327E+00 -3.385257E+00 6.702634E-01 +1.892327E+00 -3.385257E+00 6.702634E-01 diff --git a/tests/test_sourcepoint_interval/test_sourcepoint_interval.py b/tests/test_sourcepoint_interval/test_sourcepoint_interval.py index 2a089747f6..8cafb41084 100644 --- a/tests/test_sourcepoint_interval/test_sourcepoint_interval.py +++ b/tests/test_sourcepoint_interval/test_sourcepoint_interval.py @@ -1,59 +1,38 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import * -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' +class SourcepointTestHarness(TestHarness): + def _test_output_created(self): + """Make sure statepoint.* files have been created.""" + statepoint = glob.glob(os.path.join(os.getcwd(), 'statepoint.*')) + assert len(statepoint) == 5, '5 statepoint files must exist.' + assert statepoint[0].endswith('binary') \ + or statepoint[0].endswith('h5'), \ + 'Statepoint file is not a binary or hdf5 file.' -def test_statepoint_exists(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.*')) - assert len(statepoint) == 5, '5 statepoint files must exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file detected that is not binary or hdf5.' + def _get_results(self): + """Digest info in the statepoint and return as a string.""" + # Read the statepoint file. + statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))[0] + sp = StatePoint(statepoint) + sp.read_results() + sp.read_source() -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.08.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' + # Get the eigenvalue information. + outstr = TestHarness._get_results(self) + + # Add the source information. + xyz = sp._source[0]._xyz + outstr += ' '.join(['{0:12.6E}'.format(x) for x in xyz]) + outstr += "\n" + + return outstr -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_statepoint_exists() - test_results() - finally: - teardown() + harness = SourcepointTestHarness('statepoint.08.*') + harness.main() diff --git a/tests/test_sourcepoint_latest/results.py b/tests/test_sourcepoint_latest/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_sourcepoint_latest/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_sourcepoint_latest/test_sourcepoint_latest.py b/tests/test_sourcepoint_latest/test_sourcepoint_latest.py index 8ce55f2c76..5ae3984626 100644 --- a/tests/test_sourcepoint_latest/test_sourcepoint_latest.py +++ b/tests/test_sourcepoint_latest/test_sourcepoint_latest.py @@ -1,64 +1,22 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import * -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' +class SourcepointTestHarness(TestHarness): + def _test_output_created(self): + """Make sure statepoint.* and source* have been created.""" + TestHarness._test_output_created(self) + source = glob.glob(os.path.join(os.getcwd(), 'source.*')) + assert len(source) == 1, 'Either multiple or no source files ' \ + 'exist.' + assert source[0].endswith('binary') \ + or source[0].endswith('h5'), \ + 'Source file is not a binary or hdf5 file.' -def test_statepoint_exists(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint file exists.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - source = glob.glob(os.path.join(cwd, 'source.*')) - assert len(source) == 1, 'Either multple or no source file exists.' - assert source[0].endswith('binary') or source[0].endswith('h5'),\ - 'Source file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output += glob.glob(os.path.join(cwd, 'source.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_statepoint_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_sourcepoint_restart/results.py b/tests/test_sourcepoint_restart/results.py deleted file mode 100644 index fa385bc37f..0000000000 --- a/tests/test_sourcepoint_restart/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_sourcepoint_restart/results_true.dat b/tests/test_sourcepoint_restart/results_true.dat index 0b4587d206..917fc0cdfb 100644 --- a/tests/test_sourcepoint_restart/results_true.dat +++ b/tests/test_sourcepoint_restart/results_true.dat @@ -610,7 +610,7 @@ tally 1: 1.264629E-03 5.949953E-07 4.409634E-03 -5.032697E-06 +5.032698E-06 0.000000E+00 0.000000E+00 0.000000E+00 diff --git a/tests/test_sourcepoint_restart/test_sourcepoint_restart.py b/tests/test_sourcepoint_restart/test_sourcepoint_restart.py index 47033b0121..1777db993e 100644 --- a/tests/test_sourcepoint_restart/test_sourcepoint_restart.py +++ b/tests/test_sourcepoint_restart/test_sourcepoint_restart.py @@ -1,150 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.*')) - assert len(statepoint) == 2, '2 statepoint files must exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file must either be binary or hdf5.' - sourcepoint = glob.glob(os.path.join(cwd, 'source.07.*')) - assert len(sourcepoint) == 1, 'Either multiple or no source files found.' - assert sourcepoint[0].endswith('binary') or sourcepoint[0].endswith('h5'),\ - 'Source file must either be binary or hdf5.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - os.remove(statepoint[0]) - -def test_restart_form1(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - sourcepoint = glob.glob(os.path.join(cwd, 'source.07.*')) - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, - '-r', statepoint[0], sourcepoint[0], cwd], stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, '-r', statepoint[0], sourcepoint[0], cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC restart 1 did not exit successfully.' - -def test_created_statepoint_form1(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Batch 10 statepoint file does not exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file must be a binary or hdf5 file.' - -def test_results_form1(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Restart 1 results do not agree.' - os.remove(statepoint[0]) - -def test_restart_form2(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - sourcepoint = glob.glob(os.path.join(cwd, 'source.07.*')) - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, - '--restart', statepoint[0], sourcepoint[0], cwd], stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, '--restart', statepoint[0], sourcepoint[0], cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC restart 2 did not exit successfully.' - -def test_created_statepoint_form2(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Batch 10 statepoint file does not exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file not a binary or hdf5 file.' - -def test_results_form2(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Restart 2 results do not agree.' - os.remove(statepoint[0]) - -def test_restart_serial(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - sourcepoint = glob.glob(os.path.join(cwd, 'source.07.*')) - proc = Popen([opts.exe, '--restart', statepoint[0], sourcepoint[0], cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC restart serial did not exit successfully.' - -def test_created_statepoint_serial(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Batch 10 statepoint file does not exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results_serial(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Serial results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.*')) - output += glob.glob(os.path.join(cwd, 'source.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - test_restart_form1() - test_created_statepoint_form1() - test_results_form1() - test_restart_form2() - test_created_statepoint_form2() - test_results_form2() - test_restart_serial() - test_created_statepoint_serial() - test_results_serial() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_statepoint_batch/results.py b/tests/test_statepoint_batch/results.py deleted file mode 100644 index 39f6af12f2..0000000000 --- a/tests/test_statepoint_batch/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.09.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_statepoint_batch/results_true.dat b/tests/test_statepoint_batch/results_true.dat index 45b045ecf5..786fd55461 100644 --- a/tests/test_statepoint_batch/results_true.dat +++ b/tests/test_statepoint_batch/results_true.dat @@ -1,2 +1,2 @@ k-combined: -3.109090E-01 5.807934E-03 +3.109090E-01 5.807935E-03 diff --git a/tests/test_statepoint_batch/test_statepoint_batch.py b/tests/test_statepoint_batch/test_statepoint_batch.py index e1951d23fd..bc5632618f 100644 --- a/tests/test_statepoint_batch/test_statepoint_batch.py +++ b/tests/test_statepoint_batch/test_statepoint_batch.py @@ -1,67 +1,24 @@ -#!/usr/bin/env python +#!/usr/bin/env python +import sys +sys.path.insert(0, '..') +from testing_harness import * -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() +class StatepointTestHarness(TestHarness): + def __init__(self): + self._sp_name = None + self._tallies = False + self._opts = None + self._args = None -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' + def _test_output_created(self): + """Make sure statepoint files have been created.""" + sps = ('statepoint.03.*', 'statepoint.06.*', 'statepoint.09.*') + for sp in sps: + self._sp_name = sp + TestHarness._test_output_created(self) -def test_statepoints_exist(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.03.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.03 files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint.3 file is not a binary or hdf5 file.' - statepoint = glob.glob(os.path.join(cwd, 'statepoint.06.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.06 files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint.6 file is not a binary or hdf5 file.' - statepoint = glob.glob(os.path.join(cwd, 'statepoint.09.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.09 files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint.9 file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.09.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_statepoints_exist() - test_results() - finally: - teardown() + harness = StatepointTestHarness() + harness.main() diff --git a/tests/test_statepoint_interval/results.py b/tests/test_statepoint_interval/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_statepoint_interval/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_statepoint_interval/test_statepoint_interval.py b/tests/test_statepoint_interval/test_statepoint_interval.py index 1099566e58..b41ee2b7ae 100644 --- a/tests/test_statepoint_interval/test_statepoint_interval.py +++ b/tests/test_statepoint_interval/test_statepoint_interval.py @@ -1,76 +1,26 @@ #!/usr/bin/env python -import os -import glob -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import * -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' +class StatepointTestHarness(TestHarness): + def __init__(self): + self._sp_name = None + self._tallies = False + self._opts = None + self._args = None -def test_statepoints_exist(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.02.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.02 files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint.2 file is not a binary or hdf5 file.' - statepoint = glob.glob(os.path.join(cwd, 'statepoint.04.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.04 files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint.4 file is not a binary or hdf5 file.' - statepoint = glob.glob(os.path.join(cwd, 'statepoint.06.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.06 files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint.6 file is not a binary or hdf5 file.' - statepoint = glob.glob(os.path.join(cwd, 'statepoint.08.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.08 files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint.8 file is not a binary or hdf5 file.' - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.10 files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint.10 file is not a binary or hdf5 file.' + def _test_output_created(self): + """Make sure statepoint files have been created.""" + sps = ('statepoint.02.*', 'statepoint.04.*', 'statepoint.06.*', + 'statepoint.08.*', 'statepoint.10.*') + for sp in sps: + self._sp_name = sp + TestHarness._test_output_created(self) -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_statepoints_exist() - test_results() - finally: - teardown() + harness = StatepointTestHarness() + harness.main() diff --git a/tests/test_statepoint_restart/results.py b/tests/test_statepoint_restart/results.py deleted file mode 100644 index b5daa76874..0000000000 --- a/tests/test_statepoint_restart/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.07.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_statepoint_restart/results_true.dat b/tests/test_statepoint_restart/results_true.dat index ea320003a9..378d07639f 100644 --- a/tests/test_statepoint_restart/results_true.dat +++ b/tests/test_statepoint_restart/results_true.dat @@ -729,7 +729,7 @@ tally 1: 1.477216E-05 2.698876E-03 3.931578E-06 -7.470783E-03 +7.470784E-03 2.887854E-05 0.000000E+00 0.000000E+00 @@ -1210,7 +1210,7 @@ tally 1: 3.278961E-03 7.369638E-06 7.462474E-03 -2.983181E-05 +2.983182E-05 0.000000E+00 0.000000E+00 0.000000E+00 @@ -1690,7 +1690,7 @@ tally 1: 9.790439E-04 2.045088E-06 5.377302E-03 -1.508922E-05 +1.508923E-05 0.000000E+00 0.000000E+00 0.000000E+00 diff --git a/tests/test_statepoint_restart/settings.xml b/tests/test_statepoint_restart/settings.xml index 328be2d790..ec9adfb1dc 100644 --- a/tests/test_statepoint_restart/settings.xml +++ b/tests/test_statepoint_restart/settings.xml @@ -1,7 +1,7 @@ - + 10 diff --git a/tests/test_statepoint_restart/test_statepoint_restart.py b/tests/test_statepoint_restart/test_statepoint_restart.py index a26a94442a..0420dbddfa 100644 --- a/tests/test_statepoint_restart/test_statepoint_restart.py +++ b/tests/test_statepoint_restart/test_statepoint_restart.py @@ -1,139 +1,58 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import * -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' +class StatepointRestartTestHarness(TestHarness): + def execute_test(self): + """Run OpenMC with the appropriate arguments and check the outputs.""" + try: + self._run_openmc() + self._test_output_created() + results = self._get_results() + self._write_results(results) + self._compare_results() -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' + self._run_openmc_restart() + self._test_output_created() + results = self._get_results() + self._write_results(results) + self._compare_results() + finally: + self._cleanup() -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Initial test results do not agree.' + def update_results(self): + """Update the results_true using the current version of OpenMC.""" + try: + self._run_openmc() + self._test_output_created() + results = self._get_results() + self._write_results(results) + self._overwrite_results() + finally: + self._cleanup() -def test_restart_form1(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, - '-r', statepoint[0], cwd], stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, '-r', statepoint[0], cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC restart 1 did not exit successfully.' + def _run_openmc_restart(self): + # Get the name of the statepoint file. + statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name)) -def test_created_statepoint_form1(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' + # Run OpenMC + executor = Executor() -def test_results_form1(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Restart 1 test results do not agree.' + if self._opts.mpi_exec is not None: + returncode = executor.run_simulation(mpi_procs=self._opts.mpi_np, + restart_file=statepoint, + openmc_exec=self._opts.exe, + mpi_exec=self._opts.mpi_exec) -def test_restart_form2(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, - '--restart', statepoint[0], cwd], stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, '--restart', statepoint[0], cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC restart 2 did not exit successfully.' + else: + returncode = executor.run_simulation(openmc_exec=self._opts.exe) -def test_created_statepoint_form2(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' + assert returncode == 0, 'OpenMC did not exit successfully.' -def test_results_form2(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Restart 2 test results do not agree.' - -def test_restart_serial(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - proc = Popen([opts.exe, '--restart', statepoint[0], cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC restart serial did not exit successfully.' - -def test_created_statepoint_serial(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results_serial(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Restart serial test results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.07.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - test_restart_form1() - test_created_statepoint_form1() - test_results_form1() - test_restart_form2() - test_created_statepoint_form2() - test_results_form2() - test_restart_serial() - test_created_statepoint_serial() - test_results_serial() - finally: - teardown() + harness = StatepointRestartTestHarness('statepoint.07.*', True) + harness.main() diff --git a/tests/test_statepoint_sourcesep/results.py b/tests/test_statepoint_sourcesep/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_statepoint_sourcesep/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_statepoint_sourcesep/test_statepoint_sourcesep.py b/tests/test_statepoint_sourcesep/test_statepoint_sourcesep.py index d9a42310db..861a04f189 100644 --- a/tests/test_statepoint_sourcesep/test_statepoint_sourcesep.py +++ b/tests/test_statepoint_sourcesep/test_statepoint_sourcesep.py @@ -1,64 +1,22 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import * -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' +class SourcepointTestHarness(TestHarness): + def _test_output_created(self): + """Make sure statepoint.* and source* have been created.""" + TestHarness._test_output_created(self) + source = glob.glob(os.path.join(os.getcwd(), 'source.*')) + assert len(source) == 1, 'Either multiple or no source files ' \ + 'exist.' + assert source[0].endswith('binary') \ + or source[0].endswith('h5'), \ + 'Source file is not a binary or hdf5 file.' -def test_statepoint_exists(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - source = glob.glob(os.path.join(cwd, 'source.10.*')) - assert len(source) == 1, 'Either multiple or no source files exist.' - assert source[0].endswith('binary') or source[0].endswith('h5'),\ - 'Source file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output += glob.glob(os.path.join(cwd, 'source.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_statepoint_exists() - test_results() - finally: - teardown() + harness = SourcepointTestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_survival_biasing/results.py b/tests/test_survival_biasing/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_survival_biasing/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_survival_biasing/test_survival_biasing.py b/tests/test_survival_biasing/test_survival_biasing.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_survival_biasing/test_survival_biasing.py +++ b/tests/test_survival_biasing/test_survival_biasing.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_tally_assumesep/geometry.xml b/tests/test_tally_assumesep/geometry.xml index 2407bf74b3..b85dd04df9 100644 --- a/tests/test_tally_assumesep/geometry.xml +++ b/tests/test_tally_assumesep/geometry.xml @@ -68,10 +68,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -95,10 +94,9 @@ - rectangular 17 17 -10.71 -10.71 - 1.26 1.26 + 1.26 1.26 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 @@ -122,10 +120,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 @@ -153,10 +150,9 @@ - rectangular 21 21 -224.91 -224.91 - 21.42 21.42 + 21.42 21.42 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 @@ -182,4 +178,4 @@ - \ No newline at end of file + diff --git a/tests/test_tally_assumesep/results.py b/tests/test_tally_assumesep/results.py deleted file mode 100644 index 9b283b63a3..0000000000 --- a/tests/test_tally_assumesep/results.py +++ /dev/null @@ -1,51 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results1 = sp.tallies[0].results -shape1 = results1.shape -size1 = (np.product(shape1)) -results1 = np.reshape(results1, size1) -results2 = sp.tallies[1].results -shape2 = results2.shape -size2 = (np.product(shape2)) -results2 = np.reshape(results2, size2) -results3 = sp.tallies[2].results -shape3 = results3.shape -size3 = (np.product(shape3)) -results3 = np.reshape(results3, size3) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tally 1:\n' -for item in results1: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results2: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 3:\n' -for item in results3: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_tally_assumesep/test_tally_assumesep.py b/tests/test_tally_assumesep/test_tally_assumesep.py index 962a1ca26c..1777db993e 100644 --- a/tests/test_tally_assumesep/test_tally_assumesep.py +++ b/tests/test_tally_assumesep/test_tally_assumesep.py @@ -1,64 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_output_exists(): - assert os.path.exists(os.path.join(cwd, 'tallies.out')), 'Tally output file does not exist.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'tallies.out')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_output_exists() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_tally_nuclides/results.py b/tests/test_tally_nuclides/results.py deleted file mode 100644 index 4f155fb0f9..0000000000 --- a/tests/test_tally_nuclides/results.py +++ /dev/null @@ -1,36 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -results0 = sp.tallies[0].results -results1 = sp.tallies[1].results -results = np.concatenate((results0.flatten(), results1.flatten())) - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write out tally results -outstr += 'tallies:\n' -for item in results: - outstr += "{0:12.6E}\n".format(item) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_tally_nuclides/results_true.dat b/tests/test_tally_nuclides/results_true.dat index cfcee45ecc..b8e903049b 100644 --- a/tests/test_tally_nuclides/results_true.dat +++ b/tests/test_tally_nuclides/results_true.dat @@ -1,6 +1,6 @@ k-combined: 9.851180E-01 1.587642E-02 -tallies: +tally 1: 7.516940E+00 1.149356E+01 1.700884E+00 @@ -17,6 +17,7 @@ tallies: 5.385674E-01 5.816056E+00 6.901370E+00 +tally 2: 7.516940E+00 1.149356E+01 1.700884E+00 diff --git a/tests/test_tally_nuclides/test_tally_nuclides.py b/tests/test_tally_nuclides/test_tally_nuclides.py index 6fdbf87459..1777db993e 100644 --- a/tests/test_tally_nuclides/test_tally_nuclides.py +++ b/tests/test_tally_nuclides/test_tally_nuclides.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_trace/results.py b/tests/test_trace/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_trace/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_trace/test_trace.py b/tests/test_trace/test_trace.py index eab3f922aa..6633e59111 100644 --- a/tests/test_trace/test_trace.py +++ b/tests/test_trace/test_trace.py @@ -1,61 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - stdout = proc.communicate()[0] - print(stdout) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - assert stdout.find(b'Simulating Particle 453') != -1 - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_track_output/geometry.xml b/tests/test_track_output/geometry.xml index f3566ab17f..3b5a493115 100644 --- a/tests/test_track_output/geometry.xml +++ b/tests/test_track_output/geometry.xml @@ -35,9 +35,9 @@ - + -12.2682 -12.2682 - 1.63576 1.63576 + 1.63576 1.63576 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 @@ -59,9 +59,9 @@ - + -12.2682 -12.2682 - 1.63576 1.63576 + 1.63576 1.63576 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 @@ -86,9 +86,9 @@ - + -12.2682 -12.2682 - 1.63576 1.63576 + 1.63576 1.63576 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 @@ -115,9 +115,9 @@ - + -12.2682 -12.2682 - 1.63576 1.63576 + 1.63576 1.63576 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 @@ -139,9 +139,9 @@ - + -12.2682 -12.2682 - 1.63576 1.63576 + 1.63576 1.63576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -166,9 +166,9 @@ - + -12.2682 -12.2682 - 1.63576 1.63576 + 1.63576 1.63576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -193,9 +193,9 @@ - + -12.2682 -12.2682 - 1.63576 1.63576 + 1.63576 1.63576 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 @@ -221,9 +221,9 @@ - + -12.2682 -12.2682 - 1.63576 1.63576 + 1.63576 1.63576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -248,9 +248,9 @@ - + -12.2682 -12.2682 - 1.63576 1.63576 + 1.63576 1.63576 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 @@ -284,9 +284,9 @@ - + -85.8774 -85.8774 - 24.5364 24.5364 + 24.5364 24.5364 999 999 130 140 150 999 999 999 220 230 240 250 260 999 diff --git a/tests/test_track_output/results.py b/tests/test_track_output/results.py deleted file mode 100644 index f79b47eff7..0000000000 --- a/tests/test_track_output/results.py +++ /dev/null @@ -1,24 +0,0 @@ -#!/usr/bin/env python - -import os -import sys -import glob -import shutil -from subprocess import call - -# If vtk python module is not available, we can't run track.py so skip this -# test -cwd = os.getcwd() -try: - import vtk -except ImportError: - print('----------------Skipping test-------------') - shutil.copy('results_true.dat', 'results_test.dat') - exit() - -# Run track processing script -call(['../../src/utils/track.py', '-o', 'poly'] + - glob.glob(''.join((cwd, '/track*')))) -poly = ''.join((cwd, '/poly.pvtp')) -assert os.path.isfile(poly), 'poly.pvtp file not found.' -shutil.copy('poly.pvtp', 'results_test.dat') diff --git a/tests/test_track_output/test_track_output.py b/tests/test_track_output/test_track_output.py index e37e2fc0db..31d29b7420 100644 --- a/tests/test_track_output/test_track_output.py +++ b/tests/test_track_output/test_track_output.py @@ -1,63 +1,56 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import shutil +import sys -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() +sys.path.insert(0, '..') +from testing_harness import * -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' -def test_created_outputs(): - outputs = [glob.glob(''.join((cwd, '/track_1_1_1.*')))] - outputs.append(glob.glob(''.join((cwd, '/track_1_1_2.*')))) - for files in outputs: - assert len(files) == 1, 'Multiple or no track files detected.' - assert files[0].endswith('binary') or files[0].endswith('h5'),\ - 'Track files not a binary or hdf5 file' +class TrackTestHarness(TestHarness): + def _test_output_created(self): + """Make sure statepoint.* and track* have been created.""" + TestHarness._test_output_created(self) -def test_outputs(): - call(['python', 'results.py']) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results to not agree' + outputs = [glob.glob(''.join((os.getcwd(), '/track_1_1_1.*')))] + outputs.append(glob.glob(''.join((os.getcwd(), '/track_1_1_2.*')))) + for files in outputs: + assert len(files) == 1, 'Multiple or no track files detected.' + assert files[0].endswith('binary') or files[0].endswith('h5'),\ + 'Track files are not binary or hdf5 files' + + def _get_results(self): + """Digest info in the statepoint and return as a string.""" + # Run the track-to-vtk conversion script. + call(['../../scripts/openmc-track-to-vtk', '-o', 'poly'] + + glob.glob(''.join((os.getcwd(), '/track*')))) + + # Make sure the vtk file was created then return it's contents. + poly = os.path.join(os.getcwd(), 'poly.pvtp') + assert os.path.isfile(poly), 'poly.pvtp file not found.' + + with open(poly) as fin: + outstr = fin.read() + + return outstr + + def _cleanup(self): + TestHarness._cleanup(self) + output = glob.glob(os.path.join(os.getcwd(), 'track*')) + output += glob.glob(os.path.join(os.getcwd(), 'poly*')) + for f in output: + if os.path.exists(f): + os.remove(f) -def teardown(): - temp_files = glob.glob('statepoint*') - temp_files += glob.glob('track*') - temp_files += glob.glob('*.vtp') - temp_files += glob.glob('*.pvtp') - temp_files = temp_files + ['results_test.dat'] - for f in temp_files: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests + # If vtk python module is not available, we can't run track.py so skip this + # test. try: - test_run() - test_created_outputs() - test_outputs() - finally: - teardown() + import vtk + except ImportError: + print('----------------Skipping test-------------') + shutil.copy('results_true.dat', 'results_test.dat') + exit() + harness = TrackTestHarness('statepoint.2.*') + harness.main() diff --git a/tests/test_translation/results.py b/tests/test_translation/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_translation/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_translation/test_translation.py b/tests/test_translation/test_translation.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_translation/test_translation.py +++ b/tests/test_translation/test_translation.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_trigger_batch_interval/geometry.xml b/tests/test_trigger_batch_interval/geometry.xml new file mode 100644 index 0000000000..65954a7853 --- /dev/null +++ b/tests/test_trigger_batch_interval/geometry.xml @@ -0,0 +1,10 @@ + + + + + + + + + + diff --git a/tests/test_trigger_batch_interval/materials.xml b/tests/test_trigger_batch_interval/materials.xml new file mode 100644 index 0000000000..2761be30cf --- /dev/null +++ b/tests/test_trigger_batch_interval/materials.xml @@ -0,0 +1,13 @@ + + + + 71c + + + + + + + + + diff --git a/tests/test_trigger_batch_interval/results_true.dat b/tests/test_trigger_batch_interval/results_true.dat new file mode 100644 index 0000000000..65fa51bb4f --- /dev/null +++ b/tests/test_trigger_batch_interval/results_true.dat @@ -0,0 +1,28 @@ +k-combined: +9.851940E-01 4.283950E-03 +tally 1: +1.972289E+01 +2.779778E+01 +4.489781E+00 +1.440247E+00 +4.356175E+00 +1.355797E+00 +1.523311E+01 +1.658397E+01 +1.972289E+01 +2.779778E+01 +4.489781E+00 +1.440247E+00 +4.356175E+00 +1.355797E+00 +1.523311E+01 +1.658397E+01 +tally 2: +1.972289E+01 +2.779778E+01 +4.489781E+00 +1.440247E+00 +4.356175E+00 +1.355797E+00 +1.523311E+01 +1.658397E+01 diff --git a/tests/test_trigger_batch_interval/settings.xml b/tests/test_trigger_batch_interval/settings.xml new file mode 100644 index 0000000000..d7afd9231d --- /dev/null +++ b/tests/test_trigger_batch_interval/settings.xml @@ -0,0 +1,26 @@ + + + + 10 + 5 + 1000 + + std_dev + 0.00445 + + + + + true + 30 + 1 + + + + + point + 0.0 0.0 0.0 + + + + diff --git a/tests/test_trigger_batch_interval/tallies.xml b/tests/test_trigger_batch_interval/tallies.xml new file mode 100644 index 0000000000..cf20668c83 --- /dev/null +++ b/tests/test_trigger_batch_interval/tallies.xml @@ -0,0 +1,14 @@ + + + + + all + total absorption fission scatter + + + + Pu-239 + total absorption fission scatter + + + diff --git a/tests/test_trigger_batch_interval/test_trigger_batch_interval.py b/tests/test_trigger_batch_interval/test_trigger_batch_interval.py new file mode 100644 index 0000000000..d5e176fea9 --- /dev/null +++ b/tests/test_trigger_batch_interval/test_trigger_batch_interval.py @@ -0,0 +1,10 @@ +#!/usr/bin/env python + +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness + + +if __name__ == '__main__': + harness = TestHarness('statepoint.19.*', True) + harness.main() diff --git a/tests/test_trigger_no_batch_interval/geometry.xml b/tests/test_trigger_no_batch_interval/geometry.xml new file mode 100644 index 0000000000..65954a7853 --- /dev/null +++ b/tests/test_trigger_no_batch_interval/geometry.xml @@ -0,0 +1,10 @@ + + + + + + + + + + diff --git a/tests/test_trigger_no_batch_interval/materials.xml b/tests/test_trigger_no_batch_interval/materials.xml new file mode 100644 index 0000000000..2761be30cf --- /dev/null +++ b/tests/test_trigger_no_batch_interval/materials.xml @@ -0,0 +1,13 @@ + + + + 71c + + + + + + + + + diff --git a/tests/test_trigger_no_batch_interval/results_true.dat b/tests/test_trigger_no_batch_interval/results_true.dat new file mode 100644 index 0000000000..65fa51bb4f --- /dev/null +++ b/tests/test_trigger_no_batch_interval/results_true.dat @@ -0,0 +1,28 @@ +k-combined: +9.851940E-01 4.283950E-03 +tally 1: +1.972289E+01 +2.779778E+01 +4.489781E+00 +1.440247E+00 +4.356175E+00 +1.355797E+00 +1.523311E+01 +1.658397E+01 +1.972289E+01 +2.779778E+01 +4.489781E+00 +1.440247E+00 +4.356175E+00 +1.355797E+00 +1.523311E+01 +1.658397E+01 +tally 2: +1.972289E+01 +2.779778E+01 +4.489781E+00 +1.440247E+00 +4.356175E+00 +1.355797E+00 +1.523311E+01 +1.658397E+01 diff --git a/tests/test_trigger_no_batch_interval/settings.xml b/tests/test_trigger_no_batch_interval/settings.xml new file mode 100644 index 0000000000..5ceff1082b --- /dev/null +++ b/tests/test_trigger_no_batch_interval/settings.xml @@ -0,0 +1,25 @@ + + + + 10 + 5 + 1000 + + std_dev + 0.00445 + + + + + true + 30 + + + + + point + 0.0 0.0 0.0 + + + + diff --git a/tests/test_trigger_no_batch_interval/tallies.xml b/tests/test_trigger_no_batch_interval/tallies.xml new file mode 100644 index 0000000000..cf20668c83 --- /dev/null +++ b/tests/test_trigger_no_batch_interval/tallies.xml @@ -0,0 +1,14 @@ + + + + + all + total absorption fission scatter + + + + Pu-239 + total absorption fission scatter + + + diff --git a/tests/test_trigger_no_batch_interval/test_trigger_no_batch_interval.py b/tests/test_trigger_no_batch_interval/test_trigger_no_batch_interval.py new file mode 100644 index 0000000000..d5e176fea9 --- /dev/null +++ b/tests/test_trigger_no_batch_interval/test_trigger_no_batch_interval.py @@ -0,0 +1,10 @@ +#!/usr/bin/env python + +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness + + +if __name__ == '__main__': + harness = TestHarness('statepoint.19.*', True) + harness.main() diff --git a/tests/test_trigger_no_status/geometry.xml b/tests/test_trigger_no_status/geometry.xml new file mode 100644 index 0000000000..65954a7853 --- /dev/null +++ b/tests/test_trigger_no_status/geometry.xml @@ -0,0 +1,10 @@ + + + + + + + + + + diff --git a/tests/test_trigger_no_status/materials.xml b/tests/test_trigger_no_status/materials.xml new file mode 100644 index 0000000000..2761be30cf --- /dev/null +++ b/tests/test_trigger_no_status/materials.xml @@ -0,0 +1,13 @@ + + + + 71c + + + + + + + + + diff --git a/tests/test_trigger_no_status/results_true.dat b/tests/test_trigger_no_status/results_true.dat new file mode 100644 index 0000000000..b9dc78dd03 --- /dev/null +++ b/tests/test_trigger_no_status/results_true.dat @@ -0,0 +1,28 @@ +k-combined: +9.809303E-01 7.264435E-03 +tally 1: +7.031241E+00 +9.892232E+00 +1.599216E+00 +5.115987E-01 +1.550710E+00 +4.810241E-01 +5.432025E+00 +5.904811E+00 +7.031241E+00 +9.892232E+00 +1.599216E+00 +5.115987E-01 +1.550710E+00 +4.810241E-01 +5.432025E+00 +5.904811E+00 +tally 2: +7.031241E+00 +9.892232E+00 +1.599216E+00 +5.115987E-01 +1.550710E+00 +4.810241E-01 +5.432025E+00 +5.904811E+00 diff --git a/tests/test_trigger_no_status/settings.xml b/tests/test_trigger_no_status/settings.xml new file mode 100644 index 0000000000..3d215a4329 --- /dev/null +++ b/tests/test_trigger_no_status/settings.xml @@ -0,0 +1,26 @@ + + + + 10 + 5 + 1000 + + std_dev + 0.009 + + + + false + 15 + 1 + + + + + + point + 0.0 0.0 0.0 + + + + diff --git a/tests/test_trigger_no_status/tallies.xml b/tests/test_trigger_no_status/tallies.xml new file mode 100644 index 0000000000..cf20668c83 --- /dev/null +++ b/tests/test_trigger_no_status/tallies.xml @@ -0,0 +1,14 @@ + + + + + all + total absorption fission scatter + + + + Pu-239 + total absorption fission scatter + + + diff --git a/tests/test_trigger_no_status/test_trigger_no_status.py b/tests/test_trigger_no_status/test_trigger_no_status.py new file mode 100644 index 0000000000..1777db993e --- /dev/null +++ b/tests/test_trigger_no_status/test_trigger_no_status.py @@ -0,0 +1,10 @@ +#!/usr/bin/env python + +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness + + +if __name__ == '__main__': + harness = TestHarness('statepoint.10.*', True) + harness.main() diff --git a/tests/test_trigger_tallies/geometry.xml b/tests/test_trigger_tallies/geometry.xml new file mode 100644 index 0000000000..65954a7853 --- /dev/null +++ b/tests/test_trigger_tallies/geometry.xml @@ -0,0 +1,10 @@ + + + + + + + + + + diff --git a/tests/test_trigger_tallies/materials.xml b/tests/test_trigger_tallies/materials.xml new file mode 100644 index 0000000000..2761be30cf --- /dev/null +++ b/tests/test_trigger_tallies/materials.xml @@ -0,0 +1,13 @@ + + + + 71c + + + + + + + + + diff --git a/tests/test_trigger_tallies/results_true.dat b/tests/test_trigger_tallies/results_true.dat new file mode 100644 index 0000000000..86b1c14d5c --- /dev/null +++ b/tests/test_trigger_tallies/results_true.dat @@ -0,0 +1,28 @@ +k-combined: +9.824135E-01 6.844127E-03 +tally 1: +1.408810E+01 +1.985836E+01 +3.199600E+00 +1.024050E+00 +3.102648E+00 +9.629173E-01 +1.088850E+01 +1.186391E+01 +1.408810E+01 +1.985836E+01 +3.199600E+00 +1.024050E+00 +3.102648E+00 +9.629173E-01 +1.088850E+01 +1.186391E+01 +tally 2: +1.408810E+01 +1.985836E+01 +3.199600E+00 +1.024050E+00 +3.102648E+00 +9.629173E-01 +1.088850E+01 +1.186391E+01 diff --git a/tests/test_trigger_tallies/settings.xml b/tests/test_trigger_tallies/settings.xml new file mode 100644 index 0000000000..c6d986ce85 --- /dev/null +++ b/tests/test_trigger_tallies/settings.xml @@ -0,0 +1,26 @@ + + + + 10 + 5 + 1000 + + std_dev + 0.02 + + + + + true + 15 + 1 + + + + + point + 0.0 0.0 0.0 + + + + diff --git a/tests/test_trigger_tallies/tallies.xml b/tests/test_trigger_tallies/tallies.xml new file mode 100644 index 0000000000..2dbc836ee5 --- /dev/null +++ b/tests/test_trigger_tallies/tallies.xml @@ -0,0 +1,15 @@ + + + + + all + total absorption fission scatter + + + + Pu-239 + total absorption fission scatter + + + + diff --git a/tests/test_trigger_tallies/test_trigger_tallies.py b/tests/test_trigger_tallies/test_trigger_tallies.py new file mode 100644 index 0000000000..20094827e0 --- /dev/null +++ b/tests/test_trigger_tallies/test_trigger_tallies.py @@ -0,0 +1,10 @@ +#!/usr/bin/env python + +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness + + +if __name__ == '__main__': + harness = TestHarness('statepoint.15.*', True) + harness.main() diff --git a/tests/test_uniform_fs/results.py b/tests/test_uniform_fs/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_uniform_fs/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_uniform_fs/test_uniform_fs.py b/tests/test_uniform_fs/test_uniform_fs.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_uniform_fs/test_uniform_fs.py +++ b/tests/test_uniform_fs/test_uniform_fs.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_union_energy_grids/geometry.xml b/tests/test_union_energy_grids/geometry.xml new file mode 100644 index 0000000000..612e46132e --- /dev/null +++ b/tests/test_union_energy_grids/geometry.xml @@ -0,0 +1,8 @@ + + + + + + + + diff --git a/tests/test_union_energy_grids/materials.xml b/tests/test_union_energy_grids/materials.xml new file mode 100644 index 0000000000..45ccc65540 --- /dev/null +++ b/tests/test_union_energy_grids/materials.xml @@ -0,0 +1,11 @@ + + + + + + + + + + + diff --git a/tests/test_union_energy_grids/results_true.dat b/tests/test_union_energy_grids/results_true.dat new file mode 100644 index 0000000000..05cda2e980 --- /dev/null +++ b/tests/test_union_energy_grids/results_true.dat @@ -0,0 +1,2 @@ +k-combined: +3.215828E-01 2.966835E-03 diff --git a/tests/test_union_energy_grids/settings.xml b/tests/test_union_energy_grids/settings.xml new file mode 100644 index 0000000000..1eb22241cc --- /dev/null +++ b/tests/test_union_energy_grids/settings.xml @@ -0,0 +1,18 @@ + + + + union + + + 10 + 5 + 1000 + + + + + -4 -4 -4 4 4 4 + + + + diff --git a/tests/test_union_energy_grids/test_union_energy_grids.py b/tests/test_union_energy_grids/test_union_energy_grids.py new file mode 100644 index 0000000000..6633e59111 --- /dev/null +++ b/tests/test_union_energy_grids/test_union_energy_grids.py @@ -0,0 +1,10 @@ +#!/usr/bin/env python + +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness + + +if __name__ == '__main__': + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_universe/results.py b/tests/test_universe/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_universe/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_universe/test_universe.py b/tests/test_universe/test_universe.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_universe/test_universe.py +++ b/tests/test_universe/test_universe.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/test_void/results.py b/tests/test_void/results.py deleted file mode 100644 index be13ee66f1..0000000000 --- a/tests/test_void/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -# import statepoint -sys.path.insert(0, '../../src/utils') -import statepoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = statepoint.StatePoint(sys.argv[1]) -else: - sp = statepoint.StatePoint('statepoint.10.binary') -sp.read_results() - -# set up output string -outstr = '' - -# write out k-combined -outstr += 'k-combined:\n' -outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_void/test_void.py b/tests/test_void/test_void.py index 6fdbf87459..6633e59111 100644 --- a/tests/test_void/test_void.py +++ b/tests/test_void/test_void.py @@ -1,59 +1,10 @@ #!/usr/bin/env python -import os -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +import sys +sys.path.insert(0, '..') +from testing_harness import TestHarness -parser = OptionParser() -parser.add_option('--mpi_exec', dest='mpi_exec', default='') -parser.add_option('--mpi_np', dest='mpi_np', default='3') -parser.add_option('--exe', dest='exe') -(opts, args) = parser.parse_args() -cwd = os.getcwd() - -def test_run(): - if opts.mpi_exec != '': - proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], - stderr=STDOUT, stdout=PIPE) - else: - proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) - print(proc.communicate()[0]) - returncode = proc.returncode - assert returncode == 0, 'OpenMC did not exit successfully.' - -def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ - 'Statepoint file is not a binary or hdf5 file.' - -def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - call(['python', 'results.py', statepoint[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare, 'Results do not agree.' - -def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) - output.append(os.path.join(cwd, 'results_test.dat')) - for f in output: - if os.path.exists(f): - os.remove(f) if __name__ == '__main__': - - # test for openmc executable - if opts.exe is None: - raise Exception('Must specify OpenMC executable from command line with --exe.') - - # run tests - try: - test_run() - test_created_statepoint() - test_results() - finally: - teardown() + harness = TestHarness('statepoint.10.*') + harness.main() diff --git a/tests/testing_harness.py b/tests/testing_harness.py new file mode 100644 index 0000000000..9405db845c --- /dev/null +++ b/tests/testing_harness.py @@ -0,0 +1,273 @@ +from __future__ import print_function + +import filecmp +import glob +import hashlib +from optparse import OptionParser +import os +import shutil +from subprocess import Popen, STDOUT, PIPE, call +import sys + +import numpy as np + +sys.path.insert(0, '../..') +from openmc.statepoint import StatePoint +from openmc.executor import Executor +import openmc.particle_restart as pr + + +class TestHarness(object): + """General class for running OpenMC regression tests.""" + def __init__(self, statepoint_name, tallies_present=False): + self._sp_name = statepoint_name + self._tallies = tallies_present + self._opts = None + self._args = None + + def main(self): + """Accept commandline arguments and either run or update tests.""" + self._parse_args() + if self._opts.update: + self.update_results() + else: + self.execute_test() + + def execute_test(self): + """Run OpenMC with the appropriate arguments and check the outputs.""" + try: + self._run_openmc() + self._test_output_created() + results = self._get_results() + self._write_results(results) + self._compare_results() + finally: + self._cleanup() + + def update_results(self): + """Update the results_true using the current version of OpenMC.""" + try: + self._run_openmc() + self._test_output_created() + results = self._get_results() + self._write_results(results) + self._overwrite_results() + finally: + self._cleanup() + + def _parse_args(self): + parser = OptionParser() + parser.add_option('--exe', dest='exe', default='openmc') + parser.add_option('--mpi_exec', dest='mpi_exec', default=None) + parser.add_option('--mpi_np', dest='mpi_np', type=int, default=3) + parser.add_option('--update', dest='update', action='store_true', + default=False) + (self._opts, self._args) = parser.parse_args() + + def _run_openmc(self): + executor = Executor() + + if self._opts.mpi_exec is not None: + returncode = executor.run_simulation(mpi_procs=self._opts.mpi_np, + openmc_exec=self._opts.exe, + mpi_exec=self._opts.mpi_exec) + + else: + returncode = executor.run_simulation(openmc_exec=self._opts.exe) + + assert returncode == 0, 'OpenMC did not exit successfully.' + + def _test_output_created(self): + """Make sure statepoint.* and tallies.out have been created.""" + statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name)) + assert len(statepoint) == 1, 'Either multiple or no statepoint files ' \ + 'exist.' + assert statepoint[0].endswith('binary') \ + or statepoint[0].endswith('h5'), \ + 'Statepoint file is not a binary or hdf5 file.' + if self._tallies: + assert os.path.exists(os.path.join(os.getcwd(), 'tallies.out')), \ + 'Tally output file does not exist.' + + def _get_results(self, hash_output=False): + """Digest info in the statepoint and return as a string.""" + # Read the statepoint file. + statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))[0] + sp = StatePoint(statepoint) + sp.read_results() + + # Write out k-combined. + outstr = 'k-combined:\n' + form = '{0:12.6E} {1:12.6E}\n' + outstr += form.format(sp.k_combined[0], sp.k_combined[1]) + + # Write out tally data. + if self._tallies: + tally_num = 1 + for tally_ind in sp._tallies: + tally = sp._tallies[tally_ind] + results = np.zeros((tally._sum.size*2, )) + results[0::2] = tally._sum.ravel() + results[1::2] = tally._sum_sq.ravel() + results = ['{0:12.6E}'.format(x) for x in results] + + outstr += 'tally ' + str(tally_num) + ':\n' + outstr += '\n'.join(results) + '\n' + tally_num += 1 + + # Hash the results if necessary. + if hash_output: + sha512 = hashlib.sha512() + sha512.update(outstr.encode('utf-8')) + outstr = sha512.hexdigest() + + return outstr + + def _write_results(self, results_string): + """Write the results to an ASCII file.""" + with open('results_test.dat','w') as fh: + fh.write(results_string) + + def _overwrite_results(self): + """Overwrite the results_true with the results_test.""" + shutil.copyfile('results_test.dat', 'results_true.dat') + + def _compare_results(self): + compare = filecmp.cmp('results_test.dat', 'results_true.dat') + if not compare: + os.rename('results_test.dat', 'results_error.dat') + assert compare, 'Results do not agree.' + + def _cleanup(self): + output = glob.glob(os.path.join(os.getcwd(), 'statepoint.*.*')) + output.append(os.path.join(os.getcwd(), 'tallies.out')) + output.append(os.path.join(os.getcwd(), 'results_test.dat')) + for f in output: + if os.path.exists(f): + os.remove(f) + + +class HashedTestHarness(TestHarness): + """Specialized TestHarness that hashes the results.""" + def _get_results(self): + """Digest info in the statepoint and return as a string.""" + return TestHarness._get_results(self, True) + + +class PlotTestHarness(TestHarness): + """Specialized TestHarness for running OpenMC plotting tests.""" + def __init__(self, plot_names): + self._plot_names = plot_names + self._opts = None + self._args = None + + def _run_openmc(self): + executor = Executor() + returncode = executor.plot_geometry(openmc_exec=self._opts.exe) + assert returncode == 0, 'OpenMC did not exit successfully.' + + def _test_output_created(self): + """Make sure *.ppm has been created.""" + for fname in self._plot_names: + assert os.path.exists(os.path.join(os.getcwd(), fname)), \ + 'Plot output file does not exist.' + + def _cleanup(self): + TestHarness._cleanup(self) + output = glob.glob(os.path.join(os.getcwd(), '*.ppm')) + for f in output: + if os.path.exists(f): + os.remove(f) + + def _get_results(self): + """Return a string hash of the plot files.""" + # Find the plot files. + plot_files = glob.glob(os.path.join(os.getcwd(), '*.ppm')) + + # Read the plot files. + outstr = bytes() + for fname in sorted(plot_files): + with open(fname, 'rb') as fh: + outstr += fh.read() + + # Hash the information and return. + sha512 = hashlib.sha512() + sha512.update(outstr) + outstr = sha512.hexdigest() + + return outstr + + +class CMFDTestHarness(TestHarness): + """Specialized TestHarness for running OpenMC CMFD tests.""" + def _get_results(self): + """Digest info in the statepoint and return as a string.""" + # Read the statepoint file. + statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))[0] + sp = StatePoint(statepoint) + sp.read_results() + + # Write out the eigenvalue and tallies. + outstr = TestHarness._get_results(self) + + # Write out CMFD data. + outstr += 'cmfd indices\n' + outstr += '\n'.join(['{0:12.6E}'.format(x) for x in sp._cmfd_indices]) + outstr += '\nk cmfd\n' + outstr += '\n'.join(['{0:12.6E}'.format(x) for x in sp._k_cmfd]) + outstr += '\ncmfd entropy\n' + outstr += '\n'.join(['{0:12.6E}'.format(x) for x in sp._cmfd_entropy]) + outstr += '\ncmfd balance\n' + outstr += '\n'.join(['{0:12.6E}'.format(x) for x in sp._cmfd_balance]) + outstr += '\ncmfd dominance ratio\n' + outstr += '\n'.join(['{0:10.3E}'.format(x) for x in sp._cmfd_dominance]) + outstr += '\ncmfd openmc source comparison\n' + outstr += '\n'.join(['{0:12.6E}'.format(x) for x in sp._cmfd_srccmp]) + outstr += '\ncmfd source\n' + cmfdsrc = np.reshape(sp._cmfd_src, np.product(sp._cmfd_indices), + order='F') + outstr += '\n'.join(['{0:12.6E}'.format(x) for x in cmfdsrc]) + outstr += '\n' + + return outstr + + +class ParticleRestartTestHarness(TestHarness): + """Specialized TestHarness for running OpenMC particle restart tests.""" + def _test_output_created(self): + """Make sure the restart file has been created.""" + particle = glob.glob(os.path.join(os.getcwd(), self._sp_name)) + assert len(particle) == 1, 'Either multiple or no particle restart ' \ + 'files exist.' + assert particle[0].endswith('binary') \ + or particle[0].endswith('h5'), \ + 'Particle restart file is not a binary or hdf5 file.' + + def _get_results(self): + """Digest info in the statepoint and return as a string.""" + # Read the particle restart file. + particle = glob.glob(os.path.join(os.getcwd(), self._sp_name))[0] + p = pr.Particle(particle) + + # Write out the properties. + outstr = '' + outstr += 'current batch:\n' + outstr += "{0:12.6E}\n".format(p.current_batch) + outstr += 'current gen:\n' + outstr += "{0:12.6E}\n".format(p.current_gen) + outstr += 'particle id:\n' + outstr += "{0:12.6E}\n".format(p.id) + outstr += 'run mode:\n' + outstr += "{0:12.6E}\n".format(p.run_mode) + outstr += 'particle weight:\n' + outstr += "{0:12.6E}\n".format(p.weight) + outstr += 'particle energy:\n' + outstr += "{0:12.6E}\n".format(p.energy) + outstr += 'particle xyz:\n' + outstr += "{0:12.6E} {1:12.6E} {2:12.6E}\n".format(p.xyz[0],p.xyz[1], + p.xyz[2]) + outstr += 'particle uvw:\n' + outstr += "{0:12.6E} {1:12.6E} {2:12.6E}\n".format(p.uvw[0],p.uvw[1], + p.uvw[2]) + + return outstr diff --git a/tests/travis.sh b/tests/travis.sh new file mode 100755 index 0000000000..fac8d793a6 --- /dev/null +++ b/tests/travis.sh @@ -0,0 +1,11 @@ +#!/bin/sh + +set -ev + +# Run all debug tests +./check_source.py +if [ "$TRAVIS_PULL_REQUEST" != "false" ]; then + ./run_tests.py -C "^basic-debug$|^hdf5-debug$|^mpi-omp-debug$|^phdf5-omp-debug$" -j 2 -s +else + ./run_tests.py -C "^basic-debug$" -j 2 +fi diff --git a/tests/travis_install.sh b/tests/travis_install.sh new file mode 100755 index 0000000000..c01a980c05 --- /dev/null +++ b/tests/travis_install.sh @@ -0,0 +1,39 @@ +#!/bin/bash + +set -ev + +# Build MPICH +if [[ ! -e $HOME/mpich_install/bin/mpiexec ]]; then + wget -q http://www.mpich.org/static/downloads/3.1.3/mpich-3.1.3.tar.gz + tar -xzvf mpich-3.1.3.tar.gz >/dev/null 2>&1 + cd mpich-3.1.3 + ./configure --prefix=$HOME/mpich_install -q + make >/dev/null 2>&1 + make install >/dev/null 2>&1 + cd .. +fi + +# Build PHDF5 +if [[ ! -e $HOME/phdf5_install/bin/h5pfc ]]; then + wget -q http://www.hdfgroup.org/ftp/HDF5/releases/hdf5-1.8.15/src/hdf5-1.8.15.tar.gz + tar -xzvf hdf5-1.8.15.tar.gz >/dev/null 2>&1 + mv hdf5-1.8.15 phdf5-1.8.15; cd phdf5-1.8.15 + CC=$HOME/mpich_install/bin/mpicc FC=$HOME/mpich_install/bin/mpif90 \ + ./configure \ + --prefix=$HOME/phdf5_install -q --enable-fortran \ + --enable-fortran2003 --enable-parallel + make >/dev/null 2>&1 + make install >/dev/null 2>&1 + cd .. +fi + +# Build HDF5 +if [[ ! -e $HOME/hdf5_install/bin/h5fc ]]; then + tar -xzvf hdf5-1.8.15.tar.gz >/dev/null 2>&1 + cd hdf5-1.8.15 + CC=gcc FC=gfortran ./configure --prefix=$HOME/hdf5_install -q \ + --enable-fortran --enable-fortran2003 + make -j >/dev/null 2>&1 + make install >/dev/null 2>&1 + cd .. +fi diff --git a/tests/update_results.py b/tests/update_results.py index 64d72d3f27..5656003331 100755 --- a/tests/update_results.py +++ b/tests/update_results.py @@ -9,9 +9,6 @@ from glob import glob from optparse import OptionParser parser = OptionParser() -parser.add_option('--exe', dest='exe', - help="Path to openmc executable with basic \ - configuration options (no HDF5, no MPI, etc.)") parser.add_option('-R', '--tests-regex', dest='regex_tests', help="Run tests matching regular expression. \ Test names are the directories present in tests folder.\ @@ -25,12 +22,6 @@ FAIL = '\033[91m' ENDC = '\033[0m' BOLD = '\033[1m' -# Check for valid executable -if opts.exe is None: - raise Exception('Need to specify an OpenMC executable') -else: - openmc_exe = os.path.abspath(opts.exe) - # Get a list of all test folders folders = glob('test_*') @@ -41,10 +32,6 @@ if opts.regex_tests is not None: # Loop around directories for adir in sorted(folders): - # Skip test compile or plot - if adir.find('plot') != -1: - continue - # Go into that directory os.chdir(adir) pwd = os.path.abspath(os.path.dirname('settings.xml')) @@ -56,34 +43,18 @@ for adir in sorted(folders): for i in range(35 - sz): print('.', end="") - if adir == 'test_source_file': - # Handle source file test separately since it requires running OpenMC - # twice - if os.path.exists('results_error.dat'): - os.remove('results_error.dat') - proc = Popen(['python', 'test_source_file.py', '--exe', openmc_exe], - stderr=STDOUT, stdout=PIPE) - returncode = proc.wait() - if os.path.exists('results_error.dat'): - os.rename('results_error.dat', 'results_true.dat') - print(BOLD + OKGREEN + "[OK]" + ENDC) - os.chdir('..') - continue + # Find the test executable + test_exec = glob('test_*.py') + assert len(test_exec) == 1, 'There must be only one test executable per ' \ + 'test directory' - # Run openmc - proc = Popen([openmc_exe], stderr=STDOUT, stdout=PIPE) + # Update the test results + proc = Popen(['python', test_exec[0], '--update']) returncode = proc.wait() if returncode == 0: print(BOLD + OKGREEN + "[OK]" + ENDC) else: print(BOLD + FAIL + "[FAILED]" + ENDC) - # Process results - if returncode == 0: - call(['python', 'results.py']) - os.rename('results_test.dat', 'results_true.dat') - for path in glob("*.binary") + glob("*.out"): - os.remove(path) - # Go back a directory os.chdir('..')