diff --git a/.travis.yml b/.travis.yml index 21d110b40..7af617f85 100644 --- a/.travis.yml +++ b/.travis.yml @@ -1,11 +1,21 @@ +sudo: false language: python python: - "2.7" - "3.4" +addons: + apt: + packages: + - gfortran + - g++ +cache: + directories: + - $HOME/mpich_install + - $HOME/hdf5_install + - $HOME/phdf5_install before_install: # ============== Handle Python third-party packages ============== - - sudo apt-get update - if [[ "$TRAVIS_PYTHON_VERSION" == "2.7" ]]; then wget https://repo.continuum.io/miniconda/Miniconda-latest-Linux-x86_64.sh -O miniconda.sh; else @@ -20,13 +30,12 @@ before_install: - conda create -q -n test-environment python=$TRAVIS_PYTHON_VERSION numpy scipy h5py - source activate test-environment - # ============== Install GCC, MPICH, HDF5, PHDF5 ============== - - sudo apt-get install -qq -y gfortran g++ + # Install GCC, MPICH, HDF5, PHDF5 - ./tests/travis_install.sh - export FC=gfortran - - export MPI_DIR=$PWD/mpich_install - - export PHDF5_DIR=$PWD/phdf5_install - - export HDF5_DIR=$PWD/hdf5_install + - export MPI_DIR=$HOME/mpich_install + - export PHDF5_DIR=$HOME/phdf5_install + - export HDF5_DIR=$HOME/hdf5_install install: true diff --git a/CMakeLists.txt b/CMakeLists.txt index e335dfd57..3bbc353f6 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -24,12 +24,17 @@ option(profile "Compile with profiling flags" OFF) option(debug "Compile with debug flags" OFF) option(optimize "Turn on all compiler optimization flags" OFF) option(verbose "Create verbose Makefiles" OFF) -option(coverage "Compile with flags" OFF) +option(coverage "Compile with coverage analysis flags" OFF) +option(mpif08 "Use Fortran 2008 MPI interface" OFF) if (verbose) set(CMAKE_VERBOSE_MAKEFILE on) endif() +# Maximum number of nested coordinates levels +set(maxcoord 10 CACHE STRING "Maximum number of nested coordinate levels") +add_definitions(-DMAX_COORD=${maxcoord}) + #=============================================================================== # MPI for distributed-memory parallelism / HDF5 for binary output #=============================================================================== @@ -51,6 +56,12 @@ 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 #=============================================================================== diff --git a/docs/source/conf.py b/docs/source/conf.py index 2202c3ca6..8af607a4b 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -17,13 +17,18 @@ 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', 'sphinx_numfig'] +extensions = ['sphinx.ext.autodoc', + 'sphinx.ext.napoleon', + 'sphinx.ext.pngmath', + 'sphinxcontrib.tikz', + 'sphinx_numfig'] # Add any paths that contain templates here, relative to this directory. templates_path = ['_templates'] diff --git a/docs/source/devguide/docbuild.rst b/docs/source/devguide/docbuild.rst index 5d7ef8ac7..4c62ca179 100644 --- a/docs/source/devguide/docbuild.rst +++ b/docs/source/devguide/docbuild.rst @@ -18,9 +18,7 @@ from the git repository as such: .. code-block:: sh - git clone https://bitbucket.org/philexander/tikz.git - cd tikz - sudo python setup.py install + sudo pip install https://bitbucket.org/philexander/tikz/get/HEAD.tar.gz The Numfig_ package can be installed directly with pip: diff --git a/docs/source/devguide/styleguide.rst b/docs/source/devguide/styleguide.rst index 19e44ec7f..25c58ae77 100644 --- a/docs/source/devguide/styleguide.rst +++ b/docs/source/devguide/styleguide.rst @@ -125,8 +125,16 @@ 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 ------------------------- diff --git a/docs/source/index.rst b/docs/source/index.rst index 756642940..02eb1f6d9 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -32,6 +32,7 @@ free to send a message to the User's Group `mailing list`_. methods/index usersguide/index devguide/index + pythonapi/index publications license developers diff --git a/docs/source/publications.rst b/docs/source/publications.rst index d66e1198d..79d089605 100644 --- a/docs/source/publications.rst +++ b/docs/source/publications.rst @@ -10,9 +10,8 @@ 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," *Proc. Joint International Conference on - Supercomputing in Nuclear Applications and Monte Carlo*, Paris, France, - Oct. 27--31 (2013). ``_ + 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 diff --git a/docs/source/pythonapi/ace.rst b/docs/source/pythonapi/ace.rst new file mode 100644 index 000000000..4810ec4bb --- /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 000000000..51470069f --- /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 000000000..473cbba45 --- /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/executor.rst b/docs/source/pythonapi/executor.rst new file mode 100644 index 000000000..ef6693ec9 --- /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 000000000..f93ba5a15 --- /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 000000000..6b87edb97 --- /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 000000000..f6c26557d --- /dev/null +++ b/docs/source/pythonapi/index.rst @@ -0,0 +1,32 @@ +.. _pythonapi: + +========== +Python API +========== + +-------- +Contents +-------- + +.. toctree:: + :maxdepth: 1 + + ace + cmfd + element + executor + filter + geometry + material + mesh + nuclide + opencg_compatible + particle_restart + plots + settings + statepoint + summary + surface + tallies + trigger + universe diff --git a/docs/source/pythonapi/material.rst b/docs/source/pythonapi/material.rst new file mode 100644 index 000000000..16a3af701 --- /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 000000000..dbecd7c31 --- /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 000000000..9e3214e92 --- /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 000000000..c807e19cc --- /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 000000000..66ed89988 --- /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 000000000..8ad5348be --- /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 000000000..3a3915ff5 --- /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 000000000..737fc03fc --- /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 000000000..9a791127b --- /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 000000000..cc31f5b3e --- /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 000000000..2f24edf3a --- /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 000000000..82567c2cf --- /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 000000000..fd4a3c1e2 --- /dev/null +++ b/docs/source/pythonapi/universe.rst @@ -0,0 +1,8 @@ +.. _pythonapi_universe: + +======== +Universe +======== + +.. automodule:: openmc.universe + :members: diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 3489292bb..914540078 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -441,24 +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 @@ -481,7 +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 @@ -499,7 +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 @@ -605,8 +603,6 @@ survival biasing, otherwise known as implicit capture or absorption. *Default*: false -.. _trace: - ```` Element --------------------- @@ -615,6 +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 ------------------- @@ -631,9 +629,9 @@ integers: the batch number, generation number, and particle number. 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. +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 @@ -1224,8 +1222,8 @@ 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", "mesh", and + The type of the filter. Accepted options are "cell", "cellborn", + "material", "universe", "energy", "energyout", "mesh", and "distribcell". :bins: @@ -1307,24 +1305,25 @@ 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 @@ -1333,51 +1332,55 @@ 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 ``. + ``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 + ``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. + 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 @@ -1385,7 +1388,7 @@ 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. @@ -1675,6 +1678,15 @@ The ```` element controls what batch CMFD calculations should begin. *Default*: 1 +```` Element +------------------------ + +The ```` element controls whether :math:`\widehat{D}` nonlinear +CMFD parameters should be reset to zero before solving CMFD eigenproblem. +It can be turned on with "true" and off with "false". + + *Default*: false + ```` Element --------------------- @@ -1691,15 +1703,6 @@ The ```` element sets one additional CMFD output column. Options are: *Default*: balance -```` Element ------------------------- - -The ```` element controls whether :math:`\widehat{D}` nonlinear -CMFD parameters should be reset to zero before solving CMFD eigenproblem. -It can be turned on with "true" and off with "false". - - *Default*: false - ```` Element ------------------------- @@ -1743,11 +1746,11 @@ 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: @@ -1770,7 +1773,7 @@ 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: diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst index 848c6ecaa..7d3cda173 100644 --- a/docs/source/usersguide/install.rst +++ b/docs/source/usersguide/install.rst @@ -160,6 +160,13 @@ openmp Enables shared-memory parallelism using the OpenMP API. The Fortran compiler being used must support OpenMP. +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: @@ -167,6 +174,8 @@ should be used: cmake -Ddebug=on /path/to/openmc +.. _gcov: https://gcc.gnu.org/onlinedocs/gcc/Gcov.html + Compiling with MPI ++++++++++++++++++ diff --git a/examples/python/basic/build-xml.py b/examples/python/basic/build-xml.py index 312a05a8d..fb850f3ad 100644 --- a/examples/python/basic/build-xml.py +++ b/examples/python/basic/build-xml.py @@ -108,7 +108,7 @@ 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, label='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'] @@ -116,7 +116,7 @@ for score in scores: first_tally.add_score(score) # Instantiate the second Tally -second_tally = openmc.Tally(tally_id=2, label='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', \ @@ -125,7 +125,7 @@ for score in scores: second_tally.add_score(score) # Instantiate the third Tally -third_tally = openmc.Tally(tally_id=3, label='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) diff --git a/openmc/checkvalue.py b/openmc/checkvalue.py index 503e7e24d..01613908b 100644 --- a/openmc/checkvalue.py +++ b/openmc/checkvalue.py @@ -1,13 +1,137 @@ -import numpy as np +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 is_integer(val): - return isinstance(val, (int, np.int32, np.int64)) +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 is_float(val): - return isinstance(val, (float, np.float32, np.float64)) +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 -def is_string(val): - return isinstance(val, (str, np.str)) + """ + + 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/cmfd.py b/openmc/cmfd.py index af0c2df70..c247719c9 100644 --- a/openmc/cmfd.py +++ b/openmc/cmfd.py @@ -1,15 +1,77 @@ +"""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.checkvalue import * 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 @@ -18,625 +80,441 @@ class CMFDMesh(object): 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._mape - + return self._map @lower_left.setter def lower_left(self, lower_left): - - if not isinstance(lower_left, (tuple, list, np.ndarray)): - msg = 'Unable to set CMFD Mesh with lower_left {0} which is ' \ - 'not a Python list, tuple or NumPy array'.format(lower_left) - raise ValueError(msg) - - elif len(lower_left) != 2 and len(lower_left) != 3: - msg = 'Unable to set CMFD Mesh with lower_left {0} since it ' \ - 'must include 2 or 3 dimensions'.format(lower_left) - raise ValueError(msg) - - for coord in lower_left: - - if not is_integer(coord) and not is_float(coord): - msg = 'Unable to set CMFD Mesh with lower_left {0} which is ' \ - 'not an integer or a floating point value'.format(coord) - raise ValueError(msg) - + 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): - - if not isinstance(upper_right, (tuple, list, np.ndarray)): - msg = 'Unable to set CMFD Mesh with upper_right {0} which is ' \ - 'not a Python list, tuple or NumPy array'.format(upper_right) - raise ValueError(msg) - - if len(upper_right) != 2 and len(upper_right) != 3: - msg = 'Unable to set CMFD Mesh with upper_right {0} since it ' \ - 'must include 2 or 3 dimensions'.format(upper_right) - raise ValueError(msg) - - for coord in upper_right: - - if not is_integer(coord) and not is_float(coord): - msg = 'Unable to set CMFD Mesh with upper_right {0} which ' \ - 'is not an integer or floating point value'.format(coord) - raise ValueError(msg) - + 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): - - if not isinstance(dimension, (tuple, list, np.ndarray)): - msg = 'Unable to set CMFD Mesh with dimension {0} which is ' \ - 'not a Python list, tuple or NumPy array'.format(dimension) - raise ValueError(msg) - - elif len(dimension) != 2 and len(dimension) != 3: - msg = 'Unable to set CMFD Mesh with dimension {0} since it ' \ - 'must include 2 or 3 dimensions'.format(dimension) - raise ValueError(msg) - - for dim in dimension: - - if not is_integer(dim): - msg = 'Unable to set CMFD Mesh with dimension {0} which ' \ - 'is a non-integer'.format(dim) - raise ValueError(msg) - + 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): - - if not width is None: - - if not isinstance(width, (tuple, list, np.ndarray)): - msg = 'Unable to set CMFD Mesh with width {0} which ' \ - 'is not a Python list, tuple or NumPy array'.format(width) - raise ValueError(msg) - - if len(width) != 2 and len(width) != 3: - msg = 'Unable to set CMFD Mesh with width {0} since it must ' \ - 'include 2 or 3 dimensions'.format(width) - raise ValueError(msg) - - for dim in width: - - if not is_integer(dim) and not is_float(dim): - msg = 'Unable to set CMFD Mesh with width {0} which is ' \ - 'not an integer or floating point value'.format(width) - raise ValueError(msg) - + 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): - - if not isinstance(energy, (tuple, list, np.ndarray)): - msg = 'Unable to set CMFD Mesh energy to {0} which is not ' \ - 'a Python tuple/list or NumPy array'.format(energy) - raise ValueError(msg) - + check_type('CMFD mesh energy', energy, Iterable, Real) for e in energy: - - if not is_integer(e) and not is_float(e): - msg = 'Unable to set CMFD Mesh energy to {0} which is not ' \ - 'an integer or floating point value'.format(e) - raise ValueError(msg) - - elif e < 0: - msg = 'Unable to set CMFD Mesh energy to {0} which is ' \ - 'is a negative integer'.format(e) - raise ValueError(msg) - + check_greater_than('CMFD mesh energy', e, 0, True) self._energy = energy - @albedo.setter def albedo(self, albedo): - - if not isinstance(albedo, (tuple, list, np.ndarray)): - msg = 'Unable to set CMFD Mesh albedo to {0} which is not ' \ - 'a Python tuple/list or NumPy array'.format(albedo) - raise ValueError(msg) - - if not len(albedo) == 6: - msg = 'Unable to set CMFD Mesh albedo to {0} which is not ' \ - 'length 6 for +/-x,y,z'.format(albedo) - raise ValueError(msg) - + check_type('CMFD mesh albedo', albedo, Iterable, Real) + check_length('CMFD mesh albedo', albedo, 6) for a in albedo: - - if not is_integer(a) and not is_float(a): - msg = 'Unable to set CMFD Mesh albedo to {0} which is not ' \ - 'an integer or floating point value'.format(a) - raise ValueError(msg) - - elif a < 0 or a > 1: - msg = 'Unable to set CMFD Mesh albedo to {0} which is ' \ - 'is not in [0,1]'.format(a) - raise ValueError(msg) - + 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, map): - - if not isinstance(map, (tuple, list, np.ndarray)): - msg = 'Unable to set CMFD Mesh map to {0} which is not ' \ - 'a Python tuple/list or NumPy array'.format(map) - raise ValueError(msg) - - for m in map: - - if m != 1 and m != 2: - msg = 'Unable to set CMFD Mesh map to {0} which is ' \ - 'is not 1 or 2'.format(m) - raise ValueError(msg) - - self._map = map - - - def get_mesh_xml(self): + 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") - if len(self._lower_left) == 2: - subelement = ET.SubElement(element, "lower_left") - subelement.text = '{0} {1}'.format(self._lower_left[0], - self._lower_left[1]) - else: - subelement = ET.SubElement(element, "lower_left") - subelement.text = '{0} {1} {2}'.format(self._lower_left[0], - self._lower_left[1], - self._lower_left[2]) + subelement = ET.SubElement(element, "lower_left") + subelement.text = ' '.join(map(str, self._lower_left)) - if not self._upper_right is None: - if len(self._upper_right) == 2: - subelement = ET.SubElement(element, "upper_right") - subelement.text = '{0} {1}'.format(self._upper_right[0], - self._upper_right[1]) - else: - subelement = ET.SubElement(element, "upper_right") - subelement.text = '{0} {1} {2}'.format(self._upper_right[0], - self._upper_right[1], - self._upper_right[2]) + if self.upper_right is not None: + subelement = ET.SubElement(element, "upper_right") + subelement.text = ' '.join(map(str, self.upper_right)) - if len(self._dimension) == 2: - subelement = ET.SubElement(element, "dimension") - subelement.text = '{0} {1}'.format(self._dimension[0], - self._dimension[1]) - else: - subelement = ET.SubElement(element, "dimension") - subelement.text = '{0} {1} {2}'.format(self._dimension[0], - self._dimension[1], - self._dimension[2]) + subelement = ET.SubElement(element, "dimension") + subelement.text = ' '.join(map(str, self.dimension)) - if not self._width is None: - if len(self._width) == 2: - subelement = ET.SubElement(element, "width") - subelement.text = '{0} {1}'.format(self._width[0], - self._width[1]) - else: - subelement = ET.SubElement(element, "width") - subelement.text = '{0} {1} {2}'.format(self._width[0], - self._width[1], - self._width[2]) - - if not self._energy is None: + 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)) - energy = '' - for e in self._energy: - energy += '{0} '.format(e) - - subelement.set("energy", energy.rstrip(' ')) - - if not self._albedo is None: - + if self.albedo is not None: subelement = ET.SubElement(element, "albedo") + subelement.text = ' '.join(map(str, self.albedo)) - albedo = '' - for a in self._albedo: - albedo += '{0} '.format(a) - - subelement.set("albedo", albedo.rstrip(' ')) - - if not self._map is None: - + if self.map is not None: subelement = ET.SubElement(element, "map") - - map = '' - for m in self._map: - map += '{0} '.format(m) - - subelement.set("map", map.rstrip(' ')) + 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._active_flush = None self._begin = None + self._dhat_reset = None self._display = None + self._downscatter = None self._feedback = None - self._inactive = None - self._inactive_flush = None + self._gauss_seidel_tolerance = None + self._ktol = None self._cmfd_mesh = None self._norm = None - self._num_flushes = 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 active_flush(self): - return self._active_flush - - @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 inactive(self): - return self._inactive - - - @property - def inactive_flush(self): - return self._inactive_flush - + def ktol(self): + return self._ktol @property def cmfd_mesh(self): return self._cmfd_mesh - @property def norm(self): return self._norm - - @property - def num_flushes(self): - return self._num_flushes - - @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 solver(self): - return self._solver + 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 - - @active_flush.setter - def active_flush(self, active_flush): - - if not is_integer(active_flush): - msg = 'Unable to set CMFD active flush batch to a non-integer ' \ - 'value {0}'.format(active_flush) - raise ValueError(msg) - - if active_flush < 0: - msg = 'Unable to set CMFD active flush batch to a negative ' \ - 'value {0}'.format(active_flush) - raise ValueError(msg) - - self._active_flush = active_flush - - @begin.setter def begin(self, begin): - - if not is_integer(begin): - msg = 'Unable to set CMFD begin batch to a non-integer ' \ - 'value {0}'.format(begin) - raise ValueError(msg) - - if begin <= 0: - msg = 'Unable to set CMFD begin batch batch to a negative ' \ - 'value {0}'.format(begin) - raise ValueError(msg) - + 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): - - if not is_string(display): - msg = 'Unable to set CMFD display to a non-string ' \ - 'value'.format(display) - raise ValueError(msg) - - if display not in ['balance', 'dominance', 'entropy', 'source']: - msg = 'Unable to set CMFD display to {0} which is ' \ - 'not an accepted value'.format(display) - raise ValueError(msg) - + 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): - - if not isinstance(feedback, bool): - msg = 'Unable to set CMFD feedback to {0} which is ' \ - 'a non-boolean value'.format(feedback) - raise ValueError(msg) - + 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 - @inactive.setter - def inactive(self, inactive): - - if not isinstance(inactive, bool): - msg = 'Unable to set CMFD inactive batch to {0} which is ' \ - ' a non-boolean value'.format(inactive) - raise ValueError(msg) - - self._inactive = inactive - - - @inactive_flush.setter - def inactive_flush(self, inactive_flush): - - if not is_integer(inactive_flush): - msg = 'Unable to set CMFD inactive flush batch to {0} which is ' \ - 'a non-integer value'.format(inactive_flush) - raise ValueError(msg) - - if inactive_flush <= 0: - msg = 'Unable to set CMFD inactive flush batch to {0} which is ' \ - 'a negative value {0}'.format(inactive_flush) - raise ValueError(msg) - - self._inactive_flush = inactive_flush - + @ktol.setter + def ktol(self, ktol): + check_type('CMFD eigenvalue tolerance', ktol, Real) + self._ktol = ktol @cmfd_mesh.setter def cmfd_mesh(self, mesh): - - if not isinstance(mesh, CMFDMesh): - msg = 'Unable to set CMFD mesh to {0} which is not a ' \ - 'CMFDMesh object'.format(mesh) - raise ValueError(msg) - + check_type('CMFD mesh', mesh, CMFDMesh) self._mesh = mesh - @norm.setter def norm(self, norm): - - if not is_integer(norm) and not is_float(norm): - msg = 'Unable to set the CMFD norm to {0} which is not ' \ - 'an integer or floating point value'.format(norm) - raise ValueError(msg) - + check_type('CMFD norm', norm, Real) self._norm = norm - - @num_flushes.setter - def num_flushes(self, num_flushes): - - if not is_integer(num_flushes): - msg = 'Unable to set the CMFD number of flushes to {0} ' \ - 'which is not an integer value'.format(num_flushes) - raise ValueError(msg) - - if num_flushes < 0: - msg = 'Unable to set CMFD number of flushes to a negative ' \ - 'value {0}'.format(num_flushes) - raise ValueError(msg) - - self._num_flushes = num_flushes - - @power_monitor.setter def power_monitor(self, power_monitor): - - if not isinstance(power_monitor, bool): - msg = 'Unable to set CMFD power monitor to {0} which is a ' \ - 'non-boolean value'.format(power_monitor) - raise ValueError(msg) - + check_type('CMFD power monitor', power_monitor, bool) self._power_monitor = power_monitor - @run_adjoint.setter def run_adjoint(self, run_adjoint): - - if not isinstance(run_adjoint, bool): - msg = 'Unable to set CMFD run adjoint to {0} which is a ' \ - 'non-boolean value'.format(run_adjoint) - raise ValueError(msg) - + 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): - - if not isinstance(write_matrices, bool): - msg = 'Unable to set CMFD write matrices to {0} which is a ' \ - 'non-boolean value'.format(write_matrices) - raise ValueError(msg) - + check_type('CMFD write matrices', write_matrices, bool) self._write_matrices = write_matrices - - def create_active_flush_subelement(self): - - if not self._active_flush is None: - element = ET.SubElement(self._cmfd_file, "active_flush") - element.text = '{0}'.format(str(self._active_flush)) - - - def create_begin_subelement(self): - - if not self._begin is None: + def _create_begin_subelement(self): + if self._begin is not None: element = ET.SubElement(self._cmfd_file, "begin") - element.text = '{0}'.format(str(self._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 not self._display is None: + def _create_display_subelement(self): + if self._display is not None: element = ET.SubElement(self._cmfd_file, "display") - element.text = '{0}'.format(str(self._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 not self._feedback is None: + def _create_feedback_subelement(self): + if self._feedback is not None: element = ET.SubElement(self._cmfd_file, "feeback") - element.text = '{0}'.format(str(self._feedback).lower()) + 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_inactive_subelement(self): + def _create_ktol_subelement(self): + if self._ktol is not None: + element = ET.SubElement(self._ktol, "ktol") + element.text = str(self._ktol) - if not self._inactive is None: - element = ET.SubElement(self._cmfd_file, "inactive") - element.text = '{0}'.format(str(self._inactive).lower()) - - - def create_inactive_flush_subelement(self): - - if not self._inactive_flush is None: - element = ET.SubElement(self._cmfd_file, "inactive_flush") - element.text = '{0}'.format(str(self._inactive_flush)) - - - def create_mesh_subelement(self): - - if not self._mesh is None: - xml_element = self._mesh.get_mesh_xml() + 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 not self._num_flushes is None: + def _create_norm_subelement(self): + if self._norm is not None: element = ET.SubElement(self._cmfd_file, "norm") - element.text = '{0}'.format(str(self._norm)) + element.text = str(self._norm) - - def create_num_flushes_subelement(self): - - if not self._num_flushes is None: - element = ET.SubElement(self._cmfd_file, "num_flushes") - element.text = '{0}'.format(str(self._num_flushes)) - - - def create_power_monitor_subelement(self): - - if not self._power_monitor is None: + def _create_power_monitor_subelement(self): + if self._power_monitor is not None: element = ET.SubElement(self._cmfd_file, "power_monitor") - element.text = '{0}'.format(str(self._power_monitor).lower()) + element.text = str(self._power_monitor).lower() - - def create_run_adjoint_subelement(self): - - if not self._run_adjoint is None: + def _create_run_adjoint_subelement(self): + if self._run_adjoint is not None: element = ET.SubElement(self._cmfd_file, "run_adjoint") - element.text = '{0}'.format(str(self._run_adjoint).lower()) + 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_write_matrices_subelement(self): + def _create_spectral_subelement(self): + if self._spectral is not None: + element = ET.SubElement(self._spectral, "spectral") + element.text = str(self._spectral) - if not self._write_matrices is None: + 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 = '{0}'.format(str(self._write_matrices).lower()) - + 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_active_flush_subelement() - self.create_begin_subelement() - self.create_display_subelement() - self.create_feedback_subelement() - self.create_inactive_subelement() - self.create_inactive_flush_subelement() - self.create_mesh_subelement() - self.create_norm_subelement() - self.create_num_flushes_subelement() - self.create_power_monitor_subelement() - self.create_run_adjoint_subelement() - self.create_write_matrices_subelement() + """ + + 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) diff --git a/openmc/element.py b/openmc/element.py index b6d5775ee..2f81b9f30 100644 --- a/openmc/element.py +++ b/openmc/element.py @@ -1,79 +1,78 @@ -from openmc.checkvalue import * +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 the Material class attributes + # Set class attributes self.name = name - if not xs is None: + if xs is not None: self.xs = xs - def __eq__(self, element2): - # Check type if not isinstance(element2, Element): return False - # Check name + # Check name and xs if self._name != element2._name: return False - - # Check xs elif self._xs != element2._xs: return False - else: return True - def __hash__(self): - hashable = [] - hashable.append(self._name) - hashable.append(self._xs) - return hash(tuple(hashable)) - + 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): - - if not is_string(xs): - msg = 'Unable to set cross-section identifier xs for Element ' \ - 'with a non-string value {0}'.format(xs) - raise ValueError(msg) - + check_type('cross section identifier', xs, basestring) self._xs = xs - @name.setter def name(self, name): - - if not is_string(name): - msg = 'Unable to set name for Element with a non-string ' \ - 'value {0}'.format(name) - raise ValueError(msg) - + 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 index d8f52bbec..6dfb3566c 100644 --- a/openmc/executor.py +++ b/openmc/executor.py @@ -1,83 +1,128 @@ +from __future__ import print_function import subprocess +from numbers import Integral import os +import sys -from openmc.checkvalue import * +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, + 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), + print(line, end='') # If OpenMC is finished, break loop - if line == '' and p.poll() != None: + 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): - - if not is_string(working_directory): - msg = 'Unable to set Executor\'s working directory to {0} ' \ - 'since it is not a string'.format(working_directory) - raise ValueError(msg) - - elif not os.path.isdir(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""" - def plot_geometry(self, output=True): - self._run_openmc('openmc -p', output) - + 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): + 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 is_integer(particles) and particles > 0: + if isinstance(particles, Integral) and particles > 0: post_args += '-n {0} '.format(particles) - if is_integer(threads) and threads > 0: + if isinstance(threads, Integral) and threads > 0: post_args += '-s {0} '.format(threads) if geometry_debug: post_args += '-g ' - if is_string(restart_file): + if isinstance(restart_file, basestring): post_args += '-r {0} '.format(restart_file) if tracks: post_args += '-t' - if is_integer(mpi_procs) and mpi_procs > 1: - pre_args += 'mpirun -n {0} '.format(mpi_procs) + if isinstance(mpi_procs, Integral) and mpi_procs > 1: + np_present = True + else: + np_present = False - command = pre_args + 'openmc ' + post_args + if mpi_exec is not None and isinstance(mpi_exec, basestring): + mpi_exec_present = True + else: + mpi_exec_present = False - self._run_openmc(command, output) + 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 index 089f9f18a..09928e235 100644 --- a/openmc/filter.py +++ b/openmc/filter.py @@ -1,15 +1,38 @@ +from collections import Iterable import copy +from numbers import Real, Integral + +import numpy as np from openmc import Mesh -from openmc.checkvalue import * from openmc.constants import * - +from openmc.checkvalue import check_type 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 @@ -17,9 +40,7 @@ class Filter(object): self._offset = -1 self._stride = None - def __eq__(self, filter2): - # Check type if self._type != filter2._type: return False @@ -35,21 +56,14 @@ class Filter(object): else: return True - def __hash__(self): - hashable = [] - hashable.append(self._type) - hashable.append(self._bins) - return hash(tuple(hashable)) - + 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) @@ -66,64 +80,52 @@ class Filter(object): 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 not type in FILTER_TYPES.values(): + 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, (tuple, list, np.ndarray)): + if not isinstance(bins, Iterable): bins = [bins] # If the bins are in a collection, convert it to a list @@ -132,30 +134,23 @@ class Filter(object): if self._type in ['cell', 'cellborn', 'surface', 'material', 'universe', 'distribcell']: - for edge in bins: - - if not is_integer(edge): + if not isinstance(edge, Integral): msg = 'Unable to add bin "{0}" to a {1} Filter since ' \ - 'it is a non-integer'.format(edge, self._type) + 'it is not an integer'.format(edge, self._type) raise ValueError(msg) - elif edge < 0: msg = 'Unable to add bin "{0}" to a {1} Filter since ' \ - 'it is a negative integer'.format(edge, self._type) + 'it is negative'.format(edge, self._type) raise ValueError(msg) - elif self._type in ['energy', 'energyout']: - for edge in bins: - - if not is_integer(edge) and not is_float(edge): + 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) @@ -163,27 +158,22 @@ class Filter(object): # 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 is_integer(bins[0]): + 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]) @@ -192,12 +182,10 @@ class Filter(object): # If all error checks passed, add bin edges self._bins = bins - # FIXME @num_bins.setter def num_bins(self, num_bins): - - if not is_integer(num_bins) or num_bins < 0: + if not isinstance(num_bins, Integral) or num_bins < 0: msg = 'Unable to set the number of bins "{0}" for a {1} Filter ' \ 'since it is not a positive ' \ 'integer'.format(num_bins, self._type) @@ -205,39 +193,22 @@ class Filter(object): self._num_bins = num_bins - @mesh.setter def mesh(self, mesh): - - if not isinstance(mesh, Mesh): - msg = 'Unable to set Mesh to "{0}" for Filter since it is not a ' \ - 'Mesh object'.format(mesh) - raise ValueError(msg) + check_type('filter mesh', mesh, Mesh) self._mesh = mesh self.type = 'mesh' self.bins = self._mesh._id - @offset.setter def offset(self, offset): - - if not is_integer(offset): - msg = 'Unable to set offset "{0}" for a {1} Filter since it is a ' \ - 'non-integer value'.format(offset, self._type) - raise ValueError(msg) - + check_type('filter offset', offset, Integral) self._offset = offset - @stride.setter def stride(self, stride): - - if not is_integer(stride): - msg = 'Unable to set stride "{0}" for a {1} Filter since it is a ' \ - 'non-integer value'.format(stride, self._type) - raise ValueError(msg) - + 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) @@ -245,8 +216,20 @@ class Filter(object): 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 @@ -270,8 +253,20 @@ class Filter(object): 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) @@ -287,33 +282,30 @@ class Filter(object): return merged_filter - def get_bin_index(self, filter_bin): """Returns the index in the Filter for some bin. Parameters ---------- - filter_bin : int, 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. - + 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. + """ - - # FIXME: This does not work for distribcells!!! - 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): @@ -350,9 +342,7 @@ class Filter(object): 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) diff --git a/openmc/geometry.py b/openmc/geometry.py index 84fb6005b..2ea9705fa 100644 --- a/openmc/geometry.py +++ b/openmc/geometry.py @@ -2,7 +2,7 @@ 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() @@ -12,28 +12,28 @@ def reset_auto_ids(): 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): - - if not isinstance(root_universe, openmc.Universe): - msg = 'Unable to add root Universe {0} to Geometry since ' \ - 'it is not a Universe'.format(root_universe) - raise ValueError(msg) - - elif root_universe._id != 0: + 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) @@ -41,24 +41,26 @@ class Geometry(object): 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. + """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) - + 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 + An integer that specifies which offset map the filter is using + + Returns + ------- + offset : int + Location in the results array for the path and filter """ @@ -74,16 +76,39 @@ class Geometry(object): # 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() @@ -93,8 +118,15 @@ class Geometry(object): 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() @@ -104,9 +136,7 @@ class Geometry(object): return list(materials) - def get_all_material_cells(self): - all_cells = self.get_all_cells() material_cells = set() @@ -116,16 +146,21 @@ class Geometry(object): 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) @@ -133,33 +168,35 @@ class Geometry(object): 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): - - if not isinstance(geometry, Geometry): - msg = 'Unable to set the Geometry to {0} for the GeometryFile ' \ - 'since it is not a Geometry object'.format(geometry) - raise ValueError(msg) - + 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) @@ -168,7 +205,7 @@ class GeometryFile(object): sort_xml_elements(self._geometry_file) clean_xml_indentation(self._geometry_file) - # Write the XML Tree to the materials.xml 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 index 44277471b..41ec586bb 100644 --- a/openmc/material.py +++ b/openmc/material.py @@ -1,10 +1,14 @@ -from collections import MappingView +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 * +from openmc.checkvalue import check_type, check_value, check_greater_than from openmc.clean_xml import * @@ -14,6 +18,7 @@ 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 @@ -23,20 +28,36 @@ def reset_auto_material_id(): # Units for density supported by OpenMC DENSITY_UNITS = ['g/cm3', 'g/cc', 'kg/cm3', 'at/b-cm', 'at/cm3', 'sum'] -# ENDF temperatures -ENDF_TEMPS = np.array([300, 600, 700, 900, 1200, 1500]) - -# ENDF ZAIDs -ENDF_ZAIDS = np.array(['70c', '71c', '72c', '73c', '74c']) - # 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 @@ -62,95 +83,75 @@ class Material(object): # 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 not self._id is None: + 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 - - # Check that the ID is an integer and wasn't already used - elif not is_integer(material_id): - msg = 'Unable to set a non-integer Material ' \ - 'ID {0}'.format(material_id) - raise ValueError(msg) - - elif 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) - - elif material_id < 0: - msg = 'Unable to set Material ID to {0} since it must be a ' \ - 'non-negative integer'.format(material_id) - raise ValueError(msg) - 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): - - if not is_string(name): - msg = 'Unable to set name for Material ID={0} with a non-string ' \ - 'value {1}'.format(self._id, name) - raise ValueError(msg) - - else: - self._name = 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 - if not is_float(density): - msg = 'Unable to set the density for Material ID={0} to a ' \ - 'non-floating point value {1}'.format(self._id, density) - raise ValueError(msg) + Parameters + ---------- + units : str + Physical units of density + density : float, optional + Value of the density. Must be specified unless units is given as + 'sum'. - elif not units in DENSITY_UNITS: - msg = 'Unable to set the density for Material ID={0} with ' \ - 'units {1}'.format(self._id, units) - raise ValueError(msg) + """ + + 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} ' \ @@ -161,45 +162,52 @@ class Material(object): 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 ' \ + warnings.warn('This feature is not yet implemented in a release ' 'version of openmc') - if not is_string(filename) and not filename is None: + 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 ' \ + 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 is_float(percent): + 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 not percent_type in ['ao', 'wo', 'at/g-cm']: + 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) @@ -213,8 +221,15 @@ class Material(object): 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} ' \ @@ -225,20 +240,31 @@ class Material(object): 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 is_float(percent): + 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 not percent_type in ['ao', 'wo']: + 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) @@ -248,36 +274,58 @@ class Material(object): 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 - if not is_string(name): + 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 is_string(xs): + 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 make_isotropic_in_lab(self): - for nuclide_name in self._nuclides: self._nuclides[nuclide_name][0].make_isotropic_in_lab() - 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 = {} @@ -288,9 +336,7 @@ class Material(object): 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) @@ -322,9 +368,7 @@ class Material(object): return string - - def get_nuclide_xml(self, nuclide, distrib=False): - + def _get_nuclide_xml(self, nuclide, distrib=False): xml_element = ET.Element("nuclide") xml_element.set("name", nuclide[0]._name) @@ -334,7 +378,7 @@ class Material(object): else: xml_element.set("wo", str(nuclide[1])) - if not nuclide[0]._xs is None: + if nuclide[0]._xs is not None: xml_element.set("xs", nuclide[0]._xs) if not nuclide[0]._scattering is None: @@ -342,9 +386,7 @@ class Material(object): return xml_element - - def get_element_xml(self, element, distrib=False): - + def _get_element_xml(self, element, distrib=False): xml_element = ET.Element("element") xml_element.set("name", str(element[0]._name)) @@ -356,28 +398,31 @@ class Material(object): return xml_element - - def get_nuclides_xml(self, nuclides, distrib=False): - + def _get_nuclides_xml(self, nuclides, distrib=False): xml_elements = [] for nuclide in nuclides.values(): - xml_elements.append(self.get_nuclide_xml(nuclide, distrib)) + xml_elements.append(self._get_nuclide_xml(nuclide, distrib)) return xml_elements - - def get_elements_xml(self, elements, distrib=False): - + def _get_elements_xml(self, elements, distrib=False): xml_elements = [] for element in elements.values(): - xml_elements.append(self.get_element_xml(element, distrib)) + 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") @@ -393,19 +438,17 @@ class Material(object): subelement.set("units", self._density_units) if not self._convert_to_distrib_comps: - # Create nuclide XML subelements - subelements = self.get_nuclides_xml(self._nuclides) + 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) + subelements = self._get_elements_xml(self._elements) for subelement in subelements: element.append(subelement) else: - subelement = ET.SubElement(element, "compositions") comps = [] @@ -418,29 +461,24 @@ class Material(object): 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) + subelements = self._get_elements_xml(self._elements, distrib=True) for subelement_ele in subelements: subelement.append(subelement_ele) @@ -454,31 +492,41 @@ class Material(object): 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): - - if not is_string(xs): - msg = 'Unable to set default xs to a non-string value'.format(xs) - raise ValueError(msg) - + 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 ' \ @@ -487,19 +535,33 @@ class MaterialsFile(object): self._materials.append(material) - def add_materials(self, materials): + """Add multiple materials to the file. - if not isinstance(materials, (tuple, list, MappingView)): + 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 a Python tuple/list'.format(materials) + '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 - def remove_materials(self, material): + Parameters + ---------- + material : Material + Material to remove + + """ if not isinstance(material, Material): msg = 'Unable to remove a non-Material {0} from the ' \ @@ -509,26 +571,25 @@ class MaterialsFile(object): self._materials.remove(material) def make_isotropic_in_lab(self): - for material in self._materials: materials.make_isotropic_in_lab() - - def create_material_subelements(self): - + def _create_material_subelements(self): subelement = ET.SubElement(self._materials_file, "default_xs") - if not self._default_xs is None: + 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() + """ + + self._create_material_subelements() # Clean the indentation in the file to be user-readable sort_xml_elements(self._materials_file) diff --git a/openmc/mesh.py b/openmc/mesh.py index 0006bd804..1ba0f28a5 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -1,8 +1,14 @@ +from collections import Iterable import copy +from numbers import Real, Integral from xml.etree import ElementTree as ET +import sys -from openmc.checkvalue import * +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 @@ -14,9 +20,37 @@ def reset_auto_mesh_id(): 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 @@ -26,9 +60,7 @@ class Mesh(object): self._upper_right = None self._width = None - def __eq__(self, mesh2): - # Check type if self._type != mesh2._type: return False @@ -49,14 +81,11 @@ class Mesh(object): 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 @@ -74,201 +103,87 @@ class Mesh(object): 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 - - # Check that the ID is an integer and wasn't already used - elif not is_integer(mesh_id): - msg = 'Unable to set a non-integer Mesh ID {0}'.format(mesh_id) - raise ValueError(msg) - - elif mesh_id < 0: - msg = 'Unable to set Mesh ID to {0} since it must be a ' \ - 'non-negative integer'.format(mesh_id) - raise ValueError(msg) - 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): - - if not is_string(name): - msg = 'Unable to set name for Mesh ID={0} with a non-string ' \ - 'value {1}'.format(self._id, name) - raise ValueError(msg) - - else: - self._name = name - + check_type('name for mesh ID={0}'.format(self._id), name, basestring) + self._name = name @type.setter - def type(self, type): - - if not is_string(type): - msg = 'Unable to set Mesh ID={0} for type {1} which is not ' \ - 'a string'.format(self._id, type) - raise ValueError(msg) - - elif not type in ['rectangular', 'hexagonal']: - msg = 'Unable to set Mesh ID={0} for type {1} which since ' \ - 'only rectangular and hexagonal meshes are ' \ - 'supported '.format(self._id, type) - raise ValueError(msg) - - self._type = type - + 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): - - if not isinstance(dimension, (tuple, list, np.ndarray)): - msg = 'Unable to set Mesh ID={0} with dimension {1} which is ' \ - 'not a Python list, tuple or NumPy ' \ - 'array'.format(self._id, dimension) - raise ValueError(msg) - - elif len(dimension) != 2 and len(dimension) != 3: - msg = 'Unable to set Mesh ID={0} with dimension {1} since it ' \ - 'must include 2 or 3 dimensions'.format(self._id, dimension) - raise ValueError(msg) - - for dim in dimension: - - if not is_integer(dim): - msg = 'Unable to set Mesh ID={0} with dimension {1} which ' \ - 'is a non-integer'.format(self._id, dim) - raise ValueError(msg) - + 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): - - if not isinstance(lower_left, (tuple, list, np.ndarray)): - msg = 'Unable to set Mesh ID={0} with lower_left {1} which is ' \ - 'not a Python list, tuple or NumPy ' \ - 'array'.format(self._id, lower_left) - raise ValueError(msg) - - elif len(lower_left) != 2 and len(lower_left) != 3: - msg = 'Unable to set Mesh ID={0} with lower_left {1} since it ' \ - 'must include 2 or 3 dimensions'.format(self._id, lower_left) - raise ValueError(msg) - - for coord in lower_left: - - if not is_integer(coord) and not is_float(coord): - msg = 'Unable to set Mesh ID={0} with lower_left {1} which ' \ - 'is neither neither an integer nor a floating point ' \ - 'value'.format(self._id, coord) - raise ValueError(msg) - + 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): - - if not isinstance(upper_right, (tuple, list, np.ndarray)): - msg = 'Unable to set Mesh ID={0} with upper_right {1} which ' \ - 'is not a Python list, tuple or NumPy ' \ - 'array'.format(self._id, upper_right) - raise ValueError(msg) - - if len(upper_right) != 2 and len(upper_right) != 3: - msg = 'Unable to set Mesh ID={0} with upper_right {1} since it ' \ - 'must include 2 or 3 dimensions'.format(self._id, upper_right) - raise ValueError(msg) - - for coord in upper_right: - - if not is_integer(coord) and not is_float(coord): - msg = 'Unable to set Mesh ID={0} with upper_right {1} which ' \ - 'is neither an integer nor a floating point ' \ - 'value'.format(self._id, coord) - raise ValueError(msg) - + 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): - - if not width is None: - - if not isinstance(width, (tuple, list, np.ndarray)): - msg = 'Unable to set Mesh ID={0} with width {1} which ' \ - 'is not a Python list, tuple or NumPy ' \ - 'array'.format(self._id, width) - raise ValueError(msg) - - if len(width) != 2 and len(width) != 3: - msg = 'Unable to set Mesh ID={0} with width {1} since it must ' \ - 'include 2 or 3 dimensions'.format(self._id, width) - raise ValueError(msg) - - for dim in width: - - if not is_integer(dim) and not is_float(dim): - msg = 'Unable to set Mesh ID={0} with width {1} which is ' \ - 'neither an integer nor a floating point ' \ - 'value'.format(self._id, width) - raise ValueError(msg) - + 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) @@ -279,53 +194,32 @@ class Mesh(object): 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) - if len(self._dimension) == 2: - subelement = ET.SubElement(element, "dimension") - subelement.text = '{0} {1}'.format(self._dimension[0], - self._dimension[1]) - else: - subelement = ET.SubElement(element, "dimension") - subelement.text = '{0} {1} {2}'.format(self._dimension[0], - self._dimension[1], - self._dimension[2]) + subelement = ET.SubElement(element, "dimension") + subelement.text = ' '.join(map(str, self._dimension)) - if len(self._lower_left) == 2: - subelement = ET.SubElement(element, "lower_left") - subelement.text = '{0} {1}'.format(self._lower_left[0], - self._lower_left[1]) - else: - subelement = ET.SubElement(element, "lower_left") - subelement.text = '{0} {1} {2}'.format(self._lower_left[0], - self._lower_left[1], - self._lower_left[2]) + subelement = ET.SubElement(element, "lower_left") + subelement.text = ' '.join(map(str, self._lower_left)) - if not self._upper_right is None: - if len(self._upper_right) == 2: - subelement = ET.SubElement(element, "upper_right") - subelement.text = '{0} {1}'.format(self._upper_right[0], - self._upper_right[1]) - else: - subelement = ET.SubElement(element, "upper_right") - subelement.text = '{0} {1} {2}'.format(self._upper_right[0], - self._upper_right[1], - self._upper_right[2]) + if self._upper_right is not None: + subelement = ET.SubElement(element, "upper_right") + subelement.text = ' '.join(map(str, self._upper_right)) - if not self._width is None: - if len(self._width) == 2: - subelement = ET.SubElement(element, "width") - subelement.text = '{0} {1}'.format(self._width[0], - self._width[1]) - else: - subelement = ET.SubElement(element, "width") - subelement.text = '{0} {1} {2}'.format(self._width[0], - self._width[1], - self._width[2]) + if self._width is not None: + subelement = ET.SubElement(element, "width") + subelement.text = ' '.join(map(str, self._width)) - return element \ No newline at end of file + return element diff --git a/openmc/nuclide.py b/openmc/nuclide.py index d9d49d039..7de1e900c 100644 --- a/openmc/nuclide.py +++ b/openmc/nuclide.py @@ -1,10 +1,35 @@ -from openmc.checkvalue import * +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 @@ -14,12 +39,10 @@ class Nuclide(object): # Set the Material class attributes self.name = name - if not xs is None: + if xs is not None: self.xs = xs - def __eq__(self, nuclide2): - # Check type if not isinstance(nuclide2, Nuclide): return False @@ -35,63 +58,41 @@ class Nuclide(object): 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 - @property def scattering(self): return self._scattering - @name.setter def name(self, name): - - if not is_string(name): - msg = 'Unable to set name for Nuclide with a non-string ' \ - 'value {0}'.format(name) - raise ValueError(msg) - + check_type('name', name, basestring) self._name = name - @xs.setter def xs(self, xs): - - if not is_string(xs): - msg = 'Unable to set cross-section identifier xs for Nuclide ' \ - 'with a non-string value {0}'.format(xs) - raise ValueError(msg) - + check_type('cross-section identifier', xs, basestring) self._xs = xs - @zaid.setter def zaid(self, zaid): - - if not is_integer(zaid): - msg = 'Unable to set zaid for Nuclide ' \ - 'with a non-integer {0}'.format(zaid) - raise ValueError(msg) - + check_type('zaid', zaid, Integral) self._zaid = zaid +<<<<<<< HEAD @scattering.setter def scattering(self, scattering): @@ -104,13 +105,17 @@ class Nuclide(object): self._scattering = scattering +======= +>>>>>>> develop 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) +<<<<<<< HEAD if self._scattering is not None: string += '{0: <16}{1}{2}\n'.format('\tscattering', '=\t', self._scattering) +======= +>>>>>>> develop return string diff --git a/openmc/opencg_compatible.py b/openmc/opencg_compatible.py index c0e6d595d..70e6ec306 100644 --- a/openmc/opencg_compatible.py +++ b/openmc/opencg_compatible.py @@ -62,8 +62,20 @@ OPENMC_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} ' \ @@ -91,6 +103,19 @@ def get_opencg_material(openmc_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} ' \ @@ -118,6 +143,25 @@ def get_openmc_material(opencg_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' \ @@ -132,6 +176,19 @@ def is_opencg_surface_compatible(opencg_surface): 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} ' \ @@ -205,6 +262,19 @@ def get_opencg_surface(openmc_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 ' \ @@ -269,7 +339,6 @@ def get_openmc_surface(opencg_surface): '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 @@ -280,6 +349,23 @@ def get_openmc_surface(opencg_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 ' \ @@ -349,6 +435,19 @@ def get_compatible_opencg_surfaces(opencg_surface): 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 ' \ @@ -398,7 +497,26 @@ def get_opencg_cell(openmc_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) @@ -409,7 +527,7 @@ def get_compatible_opencg_cells(opencg_cell, opencg_surface, halfspace): 'not an OpenCG Surface'.format(opencg_surface) raise ValueError(msg) - elif not halfspace in [-1, +1]: + elif halfspace not in [-1, +1]: msg = 'Unable to create compatible Cell since {0}' \ 'is not a +/-1 halfspace'.format(halfspace) raise ValueError(msg) @@ -418,8 +536,8 @@ def get_compatible_opencg_cells(opencg_cell, opencg_surface, halfspace): compatible_cells = [] # SquarePrism Surfaces - if opencg_surface._type in ['x-squareprism', - 'y-squareprism', 'z-squareprism']: + 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) @@ -436,13 +554,11 @@ def get_compatible_opencg_cells(opencg_cell, opencg_surface, halfspace): # 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) @@ -500,6 +616,14 @@ def get_compatible_opencg_cells(opencg_cell, opencg_surface, halfspace): 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 ' \ @@ -545,8 +669,20 @@ def make_opencg_cells_compatible(opencg_universe): 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 ' \ @@ -597,8 +733,20 @@ def get_openmc_cell(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 ' \ @@ -633,6 +781,19 @@ def get_opencg_universe(openmc_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 ' \ @@ -670,6 +831,19 @@ def get_openmc_universe(opencg_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 ' \ @@ -701,7 +875,7 @@ def get_opencg_lattice(openmc_lattice): 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]), \ + universe_array = np.ndarray(tuple(np.array(dimension)[::-1]), dtype=opencg.Universe) # Create OpenCG Universes for each unique nested Universe in this Lattice @@ -723,8 +897,8 @@ def get_opencg_lattice(openmc_lattice): 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 + ((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 @@ -737,6 +911,19 @@ def get_opencg_lattice(openmc_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 ' \ @@ -756,7 +943,7 @@ def get_openmc_lattice(opencg_lattice): universes = opencg_lattice._universes # Initialize an empty array for the OpenMC nested Universes in this Lattice - universe_array = np.ndarray(tuple(np.array(dimension)), \ + universe_array = np.ndarray(tuple(np.array(dimension)), dtype=openmc.Universe) # Create OpenMC Universes for each unique nested Universe in this Lattice @@ -773,11 +960,11 @@ def get_openmc_lattice(opencg_lattice): universe_array[x][y][z] = unique_universes[universe_id] # Reverse y-dimension in array to match ordering in OpenCG - universe_array = universe_array[:,::-1,:] + 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 + ((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 @@ -795,6 +982,19 @@ def get_openmc_lattice(opencg_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 ' \ @@ -822,6 +1022,19 @@ def get_opencg_geometry(openmc_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 ' \ @@ -849,8 +1062,8 @@ def get_openmc_geometry(opencg_geometry): # 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) + if not isinstance(universe, opencg.Lattice): + make_opencg_cells_compatible(universe) opencg_geometry.assignAutoIds() diff --git a/openmc/particle_restart.py b/openmc/particle_restart.py index b4a718eb5..d664de1ae 100644 --- a/openmc/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 index 1468b11b0..44dde153a 100644 --- a/openmc/plots.py +++ b/openmc/plots.py @@ -1,14 +1,21 @@ +from collections import Iterable +from numbers import Real, Integral from xml.etree import ElementTree as ET +import sys import numpy as np -from openmc.checkvalue import * 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 @@ -18,9 +25,50 @@ 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 @@ -36,295 +84,139 @@ class Plot(object): 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 - - # Check that the ID is an integer and wasn't already used - elif not is_integer(plot_id): - msg = 'Unable to set a non-integer Plot ID {0}'.format(plot_id) - raise ValueError(msg) - - elif plot_id < 0: - msg = 'Unable to set Plot ID to {0} since it must be a ' \ - 'non-negative integer'.format(plot_id) - raise ValueError(msg) - 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): - - if not is_string(name): - msg = 'Unable to set name for Plot ID={0} with a non-string ' \ - 'value {1}'.format(self._id, name) - raise ValueError(msg) - - else: - self._name = name - + check_type('plot name', name, basestring) + self._name = name @width.setter def width(self, width): - - if not isinstance(width, (tuple, list, np.ndarray)): - msg = 'Unable to create Plot ID={0} with width {1} which is not ' \ - 'a Python tuple/list or NumPy array'.format(self._id, width) - raise ValueError(msg) - - elif len(width) != 2 and len(width) != 3: - msg = 'Unable to create Plot ID={0} with width {1} since only 2D ' \ - 'and 3D plots are supported'.format(self._id, width) - raise ValueError(msg) - - for dim in width: - if not is_integer(dim) and not is_float(dim): - msg = 'Unable to create Plot ID={0} with width {1} since ' \ - 'each element must be a floating point value or ' \ - 'integer'.format(self._id, width) - raise ValueError(msg) - + check_type('plot width', width, Iterable, Real) + check_length('plot width', width, 2, 3) self._width = width - @origin.setter def origin(self, origin): - - if not isinstance(origin, (tuple, list, np.ndarray)): - msg = 'Unable to create Plot ID={0} with origin {1} which is not ' \ - 'a Python tuple/list or NumPy array'.format(self._id, origin) - raise ValueError(msg) - - elif len(origin) != 3: - msg = 'Unable to create Plot ID={0} with origin {1} since only ' \ - 'a 3D coordinate must be input'.format(self._id, origin) - raise ValueError(msg) - - - for dim in origin: - if not is_integer(dim) and not is_float(dim): - msg = 'Unable to create Plot ID={0} with origin {1} since ' \ - 'each element must be a floating point value or ' \ - 'integer'.format(self._id, origin) - raise ValueError(msg) - + check_type('plot origin', origin, Iterable, Real) + check_length('plot origin', origin, 3) self._origin = origin - @pixels.setter def pixels(self, pixels): - - if not isinstance(pixels, (tuple, list, np.ndarray)): - msg = 'Unable to create Plot ID={0} with pixels {1} which is not ' \ - 'a Python tuple/list or NumPy array'.format(self._id, pixels) - raise ValueError(msg) - - elif len(pixels) != 2 and len(pixels) != 3: - msg = 'Unable to create Plot ID={0} with pixels {1} since ' \ - 'only 2D and 3D plots are supported'.format(self._id, pixels) - raise ValueError(msg) - + check_type('plot pixels', pixels, Iterable, Integral) + check_length('plot pixels', pixels, 2, 3) for dim in pixels: - - if not is_integer(dim): - msg = 'Unable to create Plot ID={0} with pixel value {1} ' \ - 'which is not an integer'.format(self._id, dim) - raise ValueError(msg) - - elif dim < 0: - msg = 'Unable to create Plot ID={0} with pixel value {1} ' \ - 'which is less than 0'.format(self._id, dim) - raise ValueError(msg) - + check_greater_than('plot pixels', dim, 0) self._pixels = pixels - @filename.setter def filename(self, filename): - - if not is_string(filename): - msg = 'Unable to create Plot ID={0} with filename {1} which is ' \ - 'not a string'.format(self._id, filename) - raise ValueError(msg) - + check_type('filename', filename, basestring) self._filename = filename - @color.setter def color(self, color): - - if not is_string(color): - msg = 'Unable to create Plot ID={0} with color {1} which is not ' \ - 'a string'.format(self._id, color) - raise ValueError(msg) - - elif not color in ['cell', 'mat']: - msg = 'Unable to create Plot ID={0} with color {1} which is not ' \ - 'a cell or mat'.format(self._id, color) - raise ValueError(msg) - + check_type('plot color', color, basestring) + check_value('plot color', color, ['cell', 'mat']) self._color = color - @type.setter - def type(self, type): - - if not is_string(type): - msg = 'Unable to create Plot ID={0} with type {1} which is not ' \ - 'a string'.format(self._id, type) - raise ValueError(msg) - - elif not type in ['slice', 'voxel']: - msg = 'Unable to create Plot ID={0} with type {1} which is not ' \ - 'slice or voxel'.format(self._id, type) - raise ValueError(msg) - - self._type = type - + 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): - - if not is_string(basis): - msg = 'Unable to create Plot ID={0} with basis {1} which is not ' \ - 'a string'.format(self._id, basis) - raise ValueError(msg) - - elif not basis in ['xy', 'xz', 'yz']: - msg = 'Unable to create Plot ID={0} with basis {1} which is not ' \ - 'xy, xz, or yz'.format(self._id, basis) - raise ValueError(msg) - + check_type('plot basis', basis, basestring) + check_value('plot basis', basis, ['xy', 'xz', 'yz']) self._basis = basis - @background.setter def background(self, background): - - if not isinstance(background, (tuple, list, np.ndarray)): - msg = 'Unable to create Plot ID={0} with background {1} ' \ - 'which is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, background) - raise ValueError(msg) - - elif len(background) != 3: - msg = 'Unable to create Plot ID={0} with background {1} ' \ - 'which is not 3 integer RGB ' \ - 'values'.format(self._id, background) - raise ValueError(msg) - + check_type('plot background', background, Iterable, Integral) + check_length('plot background', background, 3) for rgb in background: - - if not is_integer(rgb): - msg = 'Unable to create Plot ID={0} with background RGB ' \ - 'value {1} which is not an integer'.format(self._id, rgb) - raise ValueError(msg) - - elif rgb < 0 or rgb > 255: - msg = 'Unable to create Plot ID={0} with background RGB value ' \ - '{1} which is not between 0 and 255'.format(self._id, rgb) - raise ValueError(msg) - + 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): - - if not isinstance(col_spec, dict): - msg= 'Unable to create Plot ID={0} with col_spec parameter {1} ' \ - 'which is not a Python dictionary of IDs to ' \ - 'pixels'.format(self._id, col_spec) - raise ValueError(msg) + check_type('plot col_spec parameter', col_spec, dict, Integral) for key in col_spec: - - if not is_integer(key): - msg = 'Unable to create Plot ID={0} with col_spec ID {1} ' \ - 'which is not an integer'.format(self._id, key) - raise ValueError(msg) - - elif key < 0: + 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], (tuple, list, np.ndarray)): - msg = 'Unable to create Plot ID={0} with col_spec RGB ' \ - 'values {1} which is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, col_spec[key]) + 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: @@ -335,63 +227,23 @@ class Plot(object): self._col_spec = col_spec - @mask_componenets.setter def mask_components(self, mask_components): - - if not isinstance(mask_components, (list, tuple, np.ndarray)): - msg = 'Unable to create Plot ID={0} with mask components {1} ' \ - 'which is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, mask_components) - raise ValueError(msg) - + check_type('plot mask_components', mask_components, Iterable, Integral) for component in mask_components: - if not is_integer(component): - msg = 'Unable to create Plot ID={0} with mask component {1} ' \ - 'which is not an integer'.format(self._id, component) - raise ValueError(msg) - - elif component < 0: - msg = 'Unable to create Plot ID={0} with mask component {1} ' \ - 'which is less than 0'.format(self._id, component) - raise ValueError(msg) - + check_greater_than('plot mask_components', component, 0, True) self._mask_components = mask_components - @mask_background.setter def mask_background(self, mask_background): - - if not isinstance(mask_background, (list, tuple, np.ndarray)): - msg = 'Unable to create Plot ID={0} with mask background {1} ' \ - 'which is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, mask_background) - raise ValueError(msg) - - elif len(mask_background) != 3 and len(mask_background) != 0: - msg = 'Unable to create Plot ID={0} with mask background ' \ - '{1} since 3 RGB values must be ' \ - 'input'.format(self._id, mask_background) - raise ValueError(msg) - + check_type('plot mask background', mask_background, Iterable, Integral) + check_length('plot mask background', mask_background, 3) for rgb in mask_background: - - if not is_integer(rgb): - msg = 'Unable to create Plot ID={0} with mask background RGB ' \ - 'value {1} which is not an integer'.format(self._id, rgb) - raise ValueError(msg) - - elif rgb < 0 or rgb > 255: - msg = 'Unable to create Plot ID={0} with mask bacground ' \ - 'RGB value {1} which is not between 0 and ' \ - '255'.format(self._id, rgb) - raise ValueError(msg) - + 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) @@ -409,8 +261,15 @@ class Plot(object): 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)) @@ -422,64 +281,55 @@ class Plot(object): element.set("basis", self._basis) subelement = ET.SubElement(element, "origin") - text = '' - for coord in self._origin: - text += str(coord) + ' ' - subelement.text = text.rstrip(' ') + subelement.text = ' '.join(map(str, self._origin)) subelement = ET.SubElement(element, "width") - text = '' - for dim in self._width: - text += str(dim) + ' ' - subelement.text = text.rstrip(' ') + subelement.text = ' '.join(map(str, self._width)) subelement = ET.SubElement(element, "pixels") - text = '' - for dim in self._pixels: - text += str(dim) + ' ' - subelement.text = text.rstrip(' ') + subelement.text = ' '.join(map(str, self._pixels)) - if not self._mask_background is None: + if self._mask_background is not None: subelement = ET.SubElement(element, "background") - text = '' - for rgb in self._background: - text += str(rgb) + ' ' - subelement.text = text.rstrip(' ') - - if not self._col_spec is None: + 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", '{0}'.format(key)) - value = self._col_spec[key] - subelement.set("rgb",'{0} {1} {2}'.format(value[0], - value[1], value[2])) + subelement.set("id", str(key)) + subelement.set("rgb", ' '.join(map( + str, self._col_spec[key]))) - if not self._mask_components is None: + if self._mask_components is not None: subelement = ET.SubElement(element, "mask") - - text = '' - for id in self._mask_components: - text += str(id) + ' ' - subelement.set("components", text.rstrip(' ')) - - rgb = self._mask_background - subelement.set("background", '{0} {1} {2}'.format(rgb[0], - rgb[1], rgb[2])) + 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) @@ -487,15 +337,20 @@ class PlotsFile(object): 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): - + def _create_plot_subelements(self): for plot in self._plots: - xml_element = plot.get_plot_xml() if len(plot._name) > 0: @@ -503,10 +358,12 @@ class PlotsFile(object): 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() + """ + + self._create_plot_subelements() # Clean the indentation in the file to be user-readable clean_xml_indentation(self._plots_file) diff --git a/openmc/settings.py b/openmc/settings.py index 632565946..60c74ab7a 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -1,17 +1,127 @@ -import collections +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.checkvalue import * 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 @@ -89,147 +199,118 @@ class SettingsFile(object): 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 @@ -238,344 +319,268 @@ class SettingsFile(object): 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): - - if not is_integer(batches): - msg = 'Unable to set batches to a non-integer ' \ - 'value {0}'.format(batches) - raise ValueError(msg) - - if batches <= 0: - msg = 'Unable to set batches to a negative ' \ - 'value {0}'.format(batches) - raise ValueError(msg) - + 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): - - if not is_integer(generations_per_batch): - msg = 'Unable to set generations per batch to a non-integer ' \ - 'value {0}'.format(generations_per_batch) - raise ValueError(msg) - - if generations_per_batch <= 0: - msg = 'Unable to set generations per batch to a negative ' \ - 'value {0}'.format(generations_per_batch) - raise ValueError(msg) - + 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): - - if not is_integer(inactive): - msg = 'Unable to set inactive batches to a non-integer ' \ - 'value {0}'.format(inactive) - raise ValueError(msg) - - if inactive <= 0: - msg = 'Unable to set inactive batches to a negative ' \ - 'value {0}'.format(inactive) - raise ValueError(msg) - + check_type('inactive batches', inactive, Integral) + check_greater_than('inactive batches', inactive, 0, True) self._inactive = inactive - @particles.setter def particles(self, particles): - - if not is_integer(particles): - msg = 'Unable to set particles to a non-integer ' \ - 'value {0}'.format(particles) - raise ValueError(msg) - - if particles <= 0: - msg = 'Unable to set particles to a negative ' \ - 'value {0}'.format(particles) - raise ValueError(msg) - + 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 not 'type' in keff_trigger: + 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 not keff_trigger['type'] in ['variance', 'std_dev', 'rel_err']: + 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 not 'threshold' in keff_trigger: + 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 is_float(keff_trigger['threshold']): + 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): - - if not is_string(source_file): - msg = 'Unable to set source file to a non-string ' \ - 'value {0}'.format(source_file) - raise ValueError(msg) - + 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. - if not is_string(stype): - msg = 'Unable to set source space type to a non-string ' \ - 'value {0}'.format(stype) - raise ValueError(msg) + 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. - elif not stype in ['box', 'point']: - msg = 'Unable to set source space type to {0} since it is not ' \ - 'box or point'.format(stype) - raise ValueError(msg) + 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 - elif not isinstance(params, (tuple, list, np.ndarray)): - msg = 'Unable to set source space parameters to {0} since it is ' \ - 'not a Python tuple, list or NumPy array'.format(params) - raise ValueError(msg) + """ - elif len(params) != 6: - msg = 'Unable to set source space parameters to {0} since it ' \ - 'does not contain 6 values'.format(params) - raise ValueError(msg) - - for param in params: - - if not is_integer(param) and not is_float(param): - msg = 'Unable to set source space parameters to {0} since it ' \ - 'is not an integer or floating point value'.format(param) - raise ValueError(msg) + 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. - if not is_string(stype): - msg = 'Unable to set source angle type to a non-string ' \ - 'value {0}'.format(stype) - raise ValueError(msg) + 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. - elif not stype in ['isotropic', 'monodirectional']: - msg = 'Unable to set source angle type to {0} since it is not ' \ - 'isotropic or monodirectional'.format(stype) - raise ValueError(msg) + For a "monodirectional" angular distribution, ``params`` should + be given as three floats which specify the angular cosines + with respect to each axis. - elif not isinstance(params, (tuple, list, np.ndarray)): - msg = 'Unable to set source angle parameters to {0} since it is ' \ - 'not a Python list/tuple or NumPy array'.format(params) - raise ValueError(msg) + """ - elif stype == 'isotropic' and not params is None: + 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' and len(params) != 3: - msg = 'Unable to set source angle parameters to {0} ' \ - 'since 3 parameters are required for monodirectional ' \ - 'sources'.format(params) - raise ValueError(msg) - - for param in params: - - if not is_integer(param) and not is_float(param): - msg = 'Unable to set source angle parameters to {0} since it ' \ - 'is not an integer or floating point value'.format(param) - 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. - if not is_string(stype): - msg = 'Unable to set source energy type to a non-string ' \ - 'value {0}'.format(stype) - raise ValueError(msg) + 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. - elif not stype in ['monoenergetic', 'watt', 'maxwell']: - msg = 'Unable to set source energy type to {0} since it is not ' \ - 'monoenergetic, watt or maxwell'.format(stype) - raise ValueError(msg) + 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`. - elif not isinstance(params, (tuple, list, np.ndarray)): - msg = 'Unable to set source energy parameters to {0} since it ' \ - 'is not a Python list/tuple or NumPy array'.format(params) - raise ValueError(msg) + 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`. - elif stype == 'monoenergetic' and not len(params) != 1: - msg = 'Unable to set source energy parameters to {0} ' \ - 'since 1 paramater is required for monenergetic ' \ - 'sources'.format(params) - raise ValueError(msg) + """ - elif stype == 'watt' and len(params) != 2: - msg = 'Unable to set source energy parameters to {0} ' \ - 'since 2 parameters are required for monoenergetic ' \ - 'sources'.format(params) - raise ValueError(msg) - - elif stype == 'maxwell' and len(params) != 2: - msg = 'Unable to set source energy parameters to {0} since 1 ' \ - 'parameter is required for maxwell sources'.format(params) - raise ValueError(msg) - - for param in params: - - if not is_integer(param) and not is_float(param): - msg = 'Unable to set source energy parameters to {0} ' \ - 'since it is not an integer or floating point ' \ - 'value'.format(param) - raise ValueError(msg) + 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 not element in keys: + if element not in keys: msg = 'Unable to set output to {0} which is unsupported by ' \ 'OpenMC'.format(element) raise ValueError(msg) @@ -587,570 +592,236 @@ class SettingsFile(object): self._output = output - @output_path.setter def output_path(self, output_path): - - if not is_string(output_path): - msg = 'Unable to set output path to non-string ' \ - 'value {0}'.format(output_path) - raise ValueError(msg) - + check_type('output path', output_path, basestring) self._output_path = output_path - @verbosity.setter def verbosity(self, verbosity): - - if not is_integer(verbosity): - msg = 'Unable to set verbosity to non-integer ' \ - 'value {0}'.format(verbosity) - raise ValueError(msg) - - if verbosity < 1 or verbosity > 10: - msg = 'Unable to set verbosity to {0} which is not between ' \ - '1 and 10'.format(verbosity) - raise ValueError(msg) - + 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): - - if not isinstance(batches, (tuple, list, np.ndarray)): - msg = 'Unable to set statepoint batches to {0} which is not a ' \ - 'Python tuple/list or NumPy array'.format(batches) - raise ValueError(msg) - + check_type('statepoint batches', batches, Iterable, Integral) for batch in batches: - - if not is_integer(batch): - msg = 'Unable to set statepoint batches with non-integer ' \ - 'value {0}'.format(batch) - raise ValueError(msg) - - if batch <= 0: - msg = 'Unable to set statepoint batches with {0} which is ' \ - 'less than or equal to zero'.format(batch) - raise ValueError(msg) - + check_greater_than('statepoint batch', batch, 0) self._statepoint_batches = batches - @statepoint_interval.setter def statepoint_interval(self, interval): - - if not is_integer(interval): - msg = 'Unable to set statepoint interval to non-integer ' \ - 'value {0}'.format(interval) - raise ValueError(msg) - + check_type('statepoint interval', interval, Integral) self._statepoint_interval = interval - @sourcepoint_batches.setter def sourcepoint_batches(self, batches): - - if not isinstance(batches, (tuple, list, np.ndarray)): - msg = 'Unable to set sourcepoint batches to {0} which is ' \ - 'not a Python tuple/list or NumPy array'.format(batches) - raise ValueError(msg) - + check_type('sourcepoint batches', batches, Iterable, Integral) for batch in batches: - - if not is_integer(batch): - msg = 'Unable to set sourcepoint batches with non-integer ' \ - 'value {0}'.format(batch) - raise ValueError(msg) - - if batch <= 0: - msg = 'Unable to set sourcepoint batches with {0} which is ' \ - 'less than or equal to zero'.format(batch) - raise ValueError(msg) - + check_greater_than('sourcepoint batch', batch, 0) self._sourcepoint_batches = batches - @sourcepoint_interval.setter def sourcepoint_interval(self, interval): - - if not is_integer(interval): - msg = 'Unable to set sourcepoint interval to non-integer ' \ - 'value {0}'.format(interval) - raise ValueError(msg) - + check_type('sourcepoint interval', interval, Integral) self._sourcepoint_interval = interval - @sourcepoint_separate.setter def sourcepoint_separate(self, source_separate): - - if not isinstance(source_separate, (bool, np.bool)): - msg = 'Unable to set sourcepoint separate to non-boolean ' \ - 'value {0}'.format(source_separate) - raise ValueError(msg) - + check_type('sourcepoint separate', source_separate, bool) self._sourcepoint_separate = source_separate - @sourcepoint_write.setter def sourcepoint_write(self, source_write): - - if not isinstance(source_write, (bool, np.bool)): - msg = 'Unable to set sourcepoint write to non-boolean ' \ - 'value {0}'.format(source_write) - raise ValueError(msg) - + check_type('sourcepoint write', source_write, bool) self._sourcepoint_write = source_write - @sourcepoint_overwrite.setter def sourcepoint_overwrite(self, source_overwrite): - - if not isinstance(source_overwrite, (bool, np.bool)): - msg = 'Unable to set sourcepoint overwrite to non-boolean ' \ - 'value {0}'.format(source_overwrite) - raise ValueError(msg) - + check_type('sourcepoint overwrite', source_overwrite, bool) self._sourcepoint_overwrite = source_overwrite - @confidence_intervals.setter def confidence_intervals(self, confidence_intervals): - - if not isinstance(confidence_intervals, (bool, np.bool)): - msg = 'Unable to set confidence interval to non-boolean ' \ - 'value {0}'.format(confidence_intervals) - raise ValueError(msg) - + check_type('confidence interval', confidence_intervals, bool) self._confidence_intervals = confidence_intervals - @cross_sections.setter def cross_sections(self, cross_sections): - - if not is_string(cross_sections): - msg = 'Unable to set cross sections to non-string ' \ - 'value {0}'.format(cross_sections) - raise ValueError(msg) - + check_type('cross sections', cross_sections, basestring) self._cross_sections = cross_sections - @energy_grid.setter def energy_grid(self, energy_grid): - - if not energy_grid in ['nuclide', 'logarithm', 'material-union']: - msg = 'Unable to set energy grid to {0} which is neither ' \ - 'nuclide, logarithm, nor material-union'.format(energy_grid) - raise ValueError(msg) - + check_value('energy grid', energy_grid, + ['nuclide', 'logarithm', 'material-union']) self._energy_grid = energy_grid - @ptables.setter def ptables(self, ptables): - - if not isinstance(ptables, (bool, np.bool)): - msg = 'Unable to set ptables to non-boolean ' \ - 'value {0}'.format(ptables) - raise ValueError(msg) - + check_type('probability tables', ptables, bool) self._ptables = ptables - @run_cmfd.setter def run_cmfd(self, run_cmfd): - - if not isinstance(run_cmfd, (bool, np.bool)): - msg = 'Unable to set run_cmfd to non-boolean ' \ - 'value {0}'.format(run_cmfd) - raise ValueError(msg) - + check_type('run_cmfd', run_cmfd, bool) self._run_cmfd = run_cmfd - @seed.setter def seed(self, seed): - - if not is_integer(seed): - msg = 'Unable to set seed to non-integer value {0}'.format(seed) - raise ValueError(msg) - - elif seed <= 0: - msg = 'Unable to set seed to non-positive integer {0}'.format(seed) - raise ValueError(msg) - + 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): - - if not isinstance(survival_biasing, (bool, np.bool)): - msg = 'Unable to set survival biasing to non-boolean ' \ - 'value {0}'.format(survival_biasing) - raise ValueError(msg) - + check_type('survival biasing', survival_biasing, bool) self._survival_biasing = survival_biasing - @weight.setter - def weight(self, weight, weight_avg): - - if not is_float(weight): - msg = 'Unable to set weight cutoff to non-floating point ' \ - 'value {0}'.format(weight) - raise ValueError(msg) - - elif not is_float(weight_avg): - msg = 'Unable to set weight avg. to non-floating point ' \ - 'value {0}'.format(weight_avg) - raise ValueError(msg) - - elif weight < 0.0: - msg = 'Unable to set weight cutoff to negative ' \ - 'value {0}'.format(weight) - raise ValueError(msg) - - elif weight_avg < 0.0: - msg = 'Unable to set weight avg. to negative ' \ - 'value {0}'.format(weight_avg) - raise ValueError(msg) - + def weight(self, weight): + check_type('weight cutoff', weight, Real) + check_greater_than('weight cutoff', weight, 0.0) self._weight = weight - self._weight_avg = weight_avg + @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): - - if not isinstance(dimension, (tuple, list)): - msg = 'Unable to set entropy mesh dimension to {0} which is ' \ - 'not a Python tuple or list'.format(dimension) - raise ValueError(msg) - - elif len(dimension) < 3 or len(dimension) > 3: - msg = 'Unable to set entropy mesh dimension to {0} which is ' \ - 'not a set of 3 integer dimensions'.format(dimension) - raise ValueError(msg) - - for dim in dimension: - - if not is_integer(dim) and not is_float(dim): - msg = 'Unable to set entropy mesh dimension to a ' \ - 'non-integer or floating point value {0}'.format(dim) - raise ValueError(msg) - + 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): - - if not isinstance(lower_left, (tuple, list)): - msg = 'Unable to set entropy mesh lower left corner to {0} which ' \ - 'is not a Python tuple or list'.format(lower_left) - raise ValueError(msg) - - elif len(lower_left) < 3 or len(lower_left) > 3: - msg = 'Unable to set entropy mesh lower left corner to {0} which ' \ - 'is not a 3D point'.format(lower_left) - raise ValueError(msg) - - for coord in lower_left: - - if not is_integer(coord) and not is_float(coord): - - msg = 'Unable to set entropy mesh lower left corner to a ' \ - 'non-integer or floating point value {0}'.format(coord) - raise ValueError(msg) - + 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): - - if not isinstance(upper_right, (tuple, list)): - msg = 'Unable to set entropy mesh upper right corner to {0} ' \ - 'which is not a Python tuple or list'.format(upper_right) - raise ValueError(msg) - - elif len(upper_right) < 3 or len(upper_right) > 3: - msg = 'Unable to set entropy mesh upper right corner to {0} ' \ - 'which is not a 3D point'.format(upper_right) - raise ValueError(msg) - - for coord in upper_right: - - if not is_integer(coord) and not is_float(coord): - - msg = 'Unable to set entropy mesh upper right corner to a ' \ - 'non-integer or floating point value {0}'.format(coord) - raise ValueError(msg) - + 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): - - if not isinstance(trigger_active, bool): - msg = 'Unable to set trigger active to a ' \ - 'non-boolean value {0}'.format(trigger_active) - raise ValueError(msg) - + check_type('trigger active', trigger_active, bool) self._trigger_active = trigger_active - @trigger_max_batches.setter def trigger_max_batches(self, trigger_max_batches): - - if not is_integer(trigger_max_batches): - msg = 'Unable to set trigger max batches to a non-integer ' \ - 'value {0}'.format(trigger_max_batches) - raise ValueError(msg) - - elif trigger_max_batches <= 0: - msg = 'Unable to set trigger max batches to a non-positive ' \ - 'value {0}'.format(trigger_max_batches) - raise ValueError(msg) - + 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): - - if not is_integer(trigger_batch_interval): - msg = 'Unable to set trigger batch interval to a non-integer ' \ - 'value {0}'.format(trigger_batch_interval) - raise ValueError(msg) - - elif trigger_batch_interval <= 0: - msg = 'Unable to set trigger batch interval to a non-positive ' \ - 'value {0}'.format(trigger_batch_interval) - raise ValueError(msg) - + 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): - - if not isinstance(no_reduce, (bool, np.bool)): - msg = 'Unable to set the no_reduce to a non-boolean ' \ - 'value {0}'.format(no_reduce) - raise ValueError(msg) - + check_type('no reduction option', no_reduce, bool) self._no_reduce = no_reduce - @threads.setter def threads(self, threads): - - if not is_integer(threads): - msg = 'Unable to set the threads to a non-integer ' \ - 'value {0}'.format(threads) - raise ValueError(msg) - - elif threads <=0: - msg = 'Unable to set the threads to a negative ' \ - 'value {0}'.format(threads) - raise ValueError(msg) - + check_type('number of threads', threads, Integral) + check_greater_than('number of threads', threads, 0) self._threads = threads - @trace.setter def trace(self, trace): - - if not isinstance(trace, (list, tuple)): - msg = 'Unable to set the trace to {0} which is not a Python ' \ - 'tuple or list'.format(trace) - raise ValueError(msg) - - elif len(trace) != 3: - msg = 'Unable to set the trace to {0} since it does not contain ' \ - '3 elements - batch, generation, and particle'.format(trace) - raise ValueError(msg) - - elif trace[0] < 1: - msg = 'Unable to set the trace batch to {0} since it must be ' \ - 'greater than or equal to 1'.format(trace[0]) - raise ValueError(msg) - - elif trace[1] < 1: - msg = 'Unable to set the trace generation to {0} since it ' \ - 'must be greater than or equal to 1'.format(trace[1]) - raise ValueError(msg) - - elif trace[2] < 1: - msg = 'Unable to set the trace particle to {0} since it ' \ - 'must be greater than or equal to 1'.format(trace[2]) - raise ValueError(msg) - + 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): - - if not isinstance(track, (list, tuple)): - msg = 'Unable to set the track to {0} which is not a Python ' \ - 'tuple or list'.format(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) - - elif len(track) != 3: - msg = 'Unable to set the track to {0} since it does not contain ' \ - '3 elements - batch, generation, and particle'.format(track) - raise ValueError(msg) - - - elif track[0] < 1: - msg = 'Unable to set the track batch to {0} since it must be ' \ - 'greater than or equal to 1'.format(track[0]) - raise ValueError(msg) - - elif track[1] < 1: - msg = 'Unable to set the track generation to {0} since it must ' \ - 'be greater than or equal to 1'.format(track[1]) - raise ValueError(msg) - - elif track[2] < 1: - msg = 'Unable to set the track particle to {0} since it must ' \ - 'be greater than or equal to 1'.format(track[2]) - 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): - - if not is_integer(dimension) and not is_float(dimension): - msg = 'Unable to set UFS dimension to non-integer or ' \ - 'non-floating point value {0}'.format(dimension) - raise ValueError(msg) - - elif dimension < 1: - msg = 'Unable to set UFS dimension to value {0} which is ' \ - 'less than one'.format(dimension) - raise ValueError(msg) - + 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): - - if not isinstance(lower_left, (tuple, list, np.ndarray)): - msg = 'Unable to set UFS mesh lower left corner to {0} which is ' \ - 'not a Python tuple or list'.format(lower_left) - raise ValueError(msg) - - elif len(lower_left) < 3 or len(lower_left) > 3: - msg = 'Unable to set UFS mesh lower left corner to {0} which ' \ - 'is not a 3D point'.format(lower_left) - raise ValueError(msg) - + 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): - - if not isinstance(upper_right, tuple) and \ - not isinstance(upper_right, list): - msg = 'Unable to set UFs mesh upper right corner to {0} which is ' \ - 'not a Python tuple or list'.format(upper_right) - raise ValueError(msg) - - if len(upper_right) < 3 or len(upper_right) > 3: - msg = 'Unable to set UFS mesh upper right corner to {0} which ' \ - 'is not a 3D point'.format(upper_right) - raise ValueError(msg) - + 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 ' \ + warnings.warn('This feature is not yet implemented in a release ' 'version of openmc') - if not isinstance(dimension, tuple) and \ - not isinstance(dimension, list): - msg = 'Unable to set DD mesh upper right corner to {0} which is ' \ - 'not a Python tuple or list'.format(dimension) - raise ValueError(msg) - - if len(dimension) < 3 or len(dimension) > 3: - msg = 'Unable to set DD mesh upper right corner to {0} which ' \ - 'is not a 3D point'.format(dimension) - raise ValueError(msg) + 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 ' \ + warnings.warn('This feature is not yet implemented in a release ' 'version of openmc') - if not isinstance(lower_left, (tuple, list, np.ndarray)): - msg = 'Unable to set DD mesh lower left corner to {0} which is ' \ - 'not a Python tuple or list'.format(lower_left) - raise ValueError(msg) - - elif len(lower_left) < 3 or len(lower_left) > 3: - msg = 'Unable to set DD mesh lower left corner to {0} which ' \ - 'is not a 3D point'.format(lower_left) - raise ValueError(msg) + 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 ' \ + warnings.warn('This feature is not yet implemented in a release ' 'version of openmc') - if not isinstance(upper_right, tuple) and \ - not isinstance(upper_right, list): - msg = 'Unable to set DD mesh upper right corner to {0} which is ' \ - 'not a Python tuple or list'.format(upper_right) - raise ValueError(msg) - - if len(upper_right) < 3 or len(upper_right) > 3: - msg = 'Unable to set DD mesh upper right corner to {0} which ' \ - 'is not a 3D point'.format(upper_right) - raise ValueError(msg) + 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 ' \ + warnings.warn('This feature is not yet implemented in a release ' 'version of openmc') - if not isinstance(nodemap, tuple) and \ - not isinstance(nodemap, list): - msg = 'Unable to set DD nodemap {0} which is ' \ - 'not a Python tuple or list'.format(nodemap) - raise ValueError(msg) + check_type('DD nodemap', nodemap, Iterable) nodemap = np.array(nodemap).flatten() @@ -1168,99 +839,74 @@ class SettingsFile(object): 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 ' \ + warnings.warn('This feature is not yet implemented in a release ' 'version of openmc') - if not isinstance(allow, bool): - msg = 'Unable to set DD allow_leakage {0} which is ' \ - 'not a Python bool'.format(allow) - raise ValueError(msg) + 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 ' \ + warnings.warn('This feature is not yet implemented in a release ' 'version of openmc') - if not isinstance(interactions, bool): - msg = 'Unable to set DD count_interactions {0} which is ' \ - 'not a Python bool'.format(interactions) - raise ValueError(msg) + 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_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 not self._batches is None: - + 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 = '{0}'.format(self._batches) - - - def create_generations_per_batch_subelement(self): - - if not self._generations_per_batch is None: + 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 = '{0}'.format(self._generations_per_batch) - - - def create_inactive_subelement(self): - - if not self._inactive is None: + 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 = '{0}'.format(self._inactive) - - - def create_particles_subelement(self): - - if not self._particles is None: + 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 = '{0}'.format(self._particles) - - - def create_keff_trigger_subelement(self): - - if not self._keff_trigger is None: + 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") @@ -1271,19 +917,13 @@ class SettingsFile(object): 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_subelement(self): - - self.create_source_space_subelement() - self.create_source_energy_subelement() - self.create_source_angle_subelement() - - - def create_source_space_subelement(self): - - - if not self._source_space_params is None: - + 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") @@ -1292,17 +932,10 @@ class SettingsFile(object): element.set("type", self._source_space_type) subelement = ET.SubElement(element, "parameters") + subelement.text = ' '.join(map(str, self._source_space_params)) - text = '' - for param in self._source_space_params: - text += '{0} '.format(param) - subelement.text = text.rstrip(' ') - - - def create_source_angle_subelement(self): - - if not self._source_angle_params is None: - + 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") @@ -1311,17 +944,10 @@ class SettingsFile(object): element.set("type", self._source_angle_type) subelement = ET.SubElement(element, "parameters") + subelement.text = ' '.join(map(str, self._source_angle_params)) - text = '' - for param in self._source_angle_params: - text += '{0} '.format(param) - subelement.text = text.rstrip(' ') - - - def create_source_energy_subelement(self): - - if not self._source_energy_params is None: - + 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") @@ -1330,342 +956,250 @@ class SettingsFile(object): element.set("type", self._source_energy_type) subelement = ET.SubElement(element, "parameters") + subelement.text = ' '.join(map(str, self._source_energy_params)) - text = '' - for param in self._source_energy_params: - text += '{0} '.format(param) - subelement.text = text.rstrip(' ') - - - def create_output_subelement(self): - - if not self._output is None: + 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() + self._create_output_path_subelement() - - def create_output_path_subelement(self): - - if not self._output_path is None: + 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 not self._verbosity is None: + def _create_verbosity_subelement(self): + if self._verbosity is not None: element = ET.SubElement(self._settings_file, "verbosity") - element.text = '{0}'.format(self._verbosity) - - - def create_statepoint_subelement(self): + element.text = str(self._verbosity) + def _create_statepoint_subelement(self): # Batches subelement - if not self._statepoint_batches is None: + if self._statepoint_batches is not None: element = ET.SubElement(self._settings_file, "state_point") subelement = ET.SubElement(element, "batches") - text = '' - for batch in self._statepoint_batches: - text += '{0} '.format(batch) - subelement.text = text.rstrip(' ') + subelement.text = ' '.join(map(str, self._statepoint_batches)) # Interval subelement - elif not self._statepoint_interval is None: + elif self._statepoint_interval is not None: element = ET.SubElement(self._settings_file, "state_point") subelement = ET.SubElement(element, "interval") - subelement.text = '{0}'.format(self._statepoint_interval) - - - def create_sourcepoint_subelement(self): + subelement.text = str(self._statepoint_interval) + def _create_sourcepoint_subelement(self): # Batches subelement - if not self._sourcepoint_batches is None: + if self._sourcepoint_batches is not None: element = ET.SubElement(self._settings_file, "source_point") subelement = ET.SubElement(element, "batches") - text = '' - for batch in self._sourcepoint_batches: - text += '{0} '.format(batch) - subelement.text = text.rstrip(' ') + subelement.text = ' '.join(map(str, self._sourcepoint_batches)) # Interval subelement - elif not self._sourcepoint_interval is None: + elif self._sourcepoint_interval is not None: element = ET.SubElement(self._settings_file, "source_point") subelement = ET.SubElement(element, "interval") - subelement.text = '{0}'.format(self._sourcepoint_interval) + subelement.text = str(self._sourcepoint_interval) # Separate subelement - if not self._sourcepoint_separate is None: + if self._sourcepoint_separate is not None: subelement = ET.SubElement(element, "separate") - subelement.text = '{0}'.format(str(self._sourcepoint_separate).lower()) + subelement.text = str(self._sourcepoint_separate).lower() # Write subelement - if not self._sourcepoint_write is None: + if self._sourcepoint_write is not None: subelement = ET.SubElement(element, "write") - subelement.text = '{0}'.format(str(self._sourcepoint_write).lower()) + subelement.text = str(self._sourcepoint_write).lower() # Overwrite latest subelement - if not self._sourcepoint_overwrite is None: + if self._sourcepoint_overwrite is not None: subelement = ET.SubElement(element, "overwrite_latest") - subelement.text = '{0}'.format(str(self._sourcepoint_overwrite).lower()) + subelement.text = str(self._sourcepoint_overwrite).lower() - - def create_confidence_intervals(self): - - if not self._confidence_intervals is None: + def _create_confidence_intervals(self): + if self._confidence_intervals is not None: element = ET.SubElement(self._settings_file, "confidence_intervals") - element.text = '{0}'.format(str(self._confidence_intervals).lower()) + element.text = str(self._confidence_intervals).lower() - - def create_cross_sections_subelement(self): - - if not self._cross_sections is None: + def _create_cross_sections_subelement(self): + if self._cross_sections is not None: element = ET.SubElement(self._settings_file, "cross_sections") - element.text = '{0}'.format(self._cross_sections) + element.text = str(self._cross_sections) - - def create_energy_grid_subelement(self): - - if not self._energy_grid is None: + def _create_energy_grid_subelement(self): + if self._energy_grid is not None: element = ET.SubElement(self._settings_file, "energy_grid") - element.text = '{0}'.format(self._energy_grid) + element.text = str(self._energy_grid) - - def create_ptables_subelement(self): - - if not self._ptables is None: + def _create_ptables_subelement(self): + if self._ptables is not None: element = ET.SubElement(self._settings_file, "ptables") - element.text = '{0}'.format(str(self._ptables).lower()) + element.text = str(self._ptables).lower() - - def create_run_cmfd_subelement(self): - - if not self._run_cmfd is None: + def _create_run_cmfd_subelement(self): + if self._run_cmfd is not None: element = ET.SubElement(self._settings_file, "run_cmfd") - element.text = '{0}'.format(str(self._run_cmfd).lower()) + element.text = str(self._run_cmfd).lower() - - def create_seed_subelement(self): - - if not self._seed is None: + def _create_seed_subelement(self): + if self._seed is not None: element = ET.SubElement(self._settings_file, "seed") - element.text = '{0}'.format(self._seed) + element.text = str(self._seed) - - def create_survival_biasing_subelement(self): - - if not self._survival_biasing is None: + def _create_survival_biasing_subelement(self): + if self._survival_biasing is not None: element = ET.SubElement(self._settings_file, "survival_biasing") - element.text = '{0}'.format(str(self._survival_biasing).lower()) + element.text = str(self._survival_biasing).lower() - - def create_cutoff_subelement(self): - - if not self._weight is None: + 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 = '{0}'.format(self._weight) + subelement.text = str(self._weight) subelement = ET.SubElement(element, "weight_avg") - subelement.text = '{0}'.format(self._weight_avg) + subelement.text = str(self._weight_avg) - - def create_entropy_subelement(self): - - if not self._entropy_lower_left is None and \ - not self._entropy_upper_right is None: + 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 = '{0} {1} {2}'.format(self._entropy_dimension[0], - self._entropy_dimension[1], - self._entropy_dimension[2]) + subelement.text = ' '.join(map(str, self._entropy_dimension)) subelement = ET.SubElement(element, "lower_left") - subelement.text = '{0} {1} {2}'.format(self._entropy_lower_left[0], - self._entropy_lower_left[1], - self._entropy_lower_left[2]) + subelement.text = ' '.join(map(str, self._entropy_lower_left)) subelement = ET.SubElement(element, "upper_right") - subelement.text = '{0} {1} {2}'.format(self._entropy_upper_right[0], - self._entropy_upper_right[1], - self._entropy_upper_right[2]) + 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_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 not self._trigger_active is None: - + 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 = '{0}'.format(str(self._trigger_active).lower()) - - - def create_trigger_max_batches_subelement(self): - - if not self._trigger_max_batches is None: + 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 = '{0}'.format(self._trigger_max_batches) - - - def create_trigger_batch_interval_subelement(self): - - if not self._trigger_batch_interval is None: + 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 = '{0}'.format(self._trigger_batch_interval) + element.text = str(self._trigger_batch_interval) - - def create_no_reduce_subelement(self): - - if not self._no_reduce is None: + def _create_no_reduce_subelement(self): + if self._no_reduce is not None: element = ET.SubElement(self._settings_file, "no_reduce") - element.text = '{0}'.format(str(self._no_reduce).lower()) + element.text = str(self._no_reduce).lower() - - def create_threads_subelement(self): - - if not self._threads is None: + def _create_threads_subelement(self): + if self._threads is not None: element = ET.SubElement(self._settings_file, "threads") - element.text = '{0}'.format(self._threads) + element.text = str(self._threads) - - def create_trace_subelement(self): - - if not self._trace is None: + 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)) - text = '' - for item in self._trace: - text += '{0} '.format(item) - element.text = text.rstrip(' ') - - - def create_track_subelement(self): - - if not self._track is None: + 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)) - text = '' - for item in self._track: - text += '{0} '.format(item) - element.text = text.rstrip(' ') - - - def create_ufs_subelement(self): - - if not self._ufs_lower_left is None and \ - not self._ufs_upper_right is None: + 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 = '{0}'.format(self._ufs_dimension) + subelement.text = str(self._ufs_dimension) subelement = ET.SubElement(element, "lower_left") - subelement.text = '{0} {1} {2}'.format(self._ufs_lower_left[0], - self._ufs_lower_left[1], - self._ufs_lower_left[2]) + subelement.text = ' '.join(map(str, self._ufs_lower_left)) subelement = ET.SubElement(element, "upper_right") - subelement.text = '{0} {1} {2}'.format(self._ufs_upper_right[0], - self._ufs_upper_right[1], - self._ufs_upper_right[2]) + subelement.text = ' '.join(map(str, self._ufs_upper_right)) - - def create_dd_subelement(self): - - if not self._dd_mesh_lower_left is None and \ - not self._dd_mesh_upper_right is None and \ - not self._dd_mesh_dimension is None: + 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 = '{0} {1} {2}'.format( - self._dd_mesh_dimension[0], - self._dd_mesh_dimension[1], - self._dd_mesh_dimension[2]) + subsubelement.text = ' '.join(map(str, self._dd_mesh_dimension)) subsubelement = ET.SubElement(subelement, "lower_left") - subsubelement.text = '{0} {1} {2}'.format( - self._dd_mesh_lower_left[0], - self._dd_mesh_lower_left[1], - self._dd_mesh_lower_left[2]) + subsubelement.text = ' '.join(map(str, self._dd_mesh_lower_left)) subsubelement = ET.SubElement(subelement, "upper_right") - subsubelement.text = '{0} {1} {2}'.format( - self._dd_mesh_upper_right[0], - self._dd_mesh_upper_right[1], - self._dd_mesh_upper_right[2]) + subsubelement.text = ' '.join(map(str, self._dd_mesh_upper_right)) - if not self._dd_nodemap is None: + if self._dd_nodemap is not None: subelement = ET.SubElement(element, "nodemap") - subelement.text = ' '.join([str(n) for n in self._dd_nodemap]) + subelement.text = ' '.join(map(str, self._dd_nodemap)) subelement = ET.SubElement(element, "allow_leakage") - if self._dd_allow_leakage: - subelement.text = 'true' - else: - subelement.text = 'false' + subelement.text = str(self._dd_allow_leakage).lower() subelement = ET.SubElement(element, "count_interactions") - if self._dd_count_interactions: - subelement.text = 'true' - else: - subelement.text = 'false' - + 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() + """ + + 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) diff --git a/openmc/statepoint.py b/openmc/statepoint.py index f5805f0e2..e0ef003d6 100644 --- a/openmc/statepoint.py +++ b/openmc/statepoint.py @@ -13,17 +13,28 @@ if sys.version > '3': 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) @@ -31,32 +42,56 @@ class SourceSite(object): 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') @@ -79,7 +114,6 @@ class StatePoint(object): # Read tally metadata self._read_tallies() - def close(self): self._f.close() @@ -128,7 +162,6 @@ class StatePoint(object): return self._n_realizations def _read_metadata(self): - # Read filetype self._filetype = self._get_int(path='filetype')[0] @@ -169,9 +202,7 @@ class StatePoint(object): if self._run_mode == 2: self._read_criticality() - def _read_criticality(self): - # Read criticality information if self._run_mode == 2: @@ -191,9 +222,7 @@ class StatePoint(object): # Read CMFD information (if used) self._read_cmfd() - def _read_cmfd(self): - base = 'cmfd' # Read CMFD information @@ -217,9 +246,7 @@ class StatePoint(object): 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 @@ -282,9 +309,7 @@ class StatePoint(object): # 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 @@ -423,7 +448,6 @@ class StatePoint(object): # 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])) @@ -437,10 +461,13 @@ class StatePoint(object): # 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 + """ + + # Number of realizations for global Tallies self._n_realizations = self._get_int(path='n_realizations')[0] # Read global Tallies @@ -483,7 +510,8 @@ class StatePoint(object): sum_sq = results[1::2] # Define a routine to convert 0 to 1 - nonzero = lambda val: 1 if not val else val + def nonzero(val): + return 1 if not val else val # Reshape the results arrays new_shape = (nonzero(tally.num_filter_bins), @@ -494,13 +522,17 @@ class StatePoint(object): sum_sq = np.reshape(sum_sq, new_shape) # Set the data for this Tally - tally.set_results(sum=sum, sum_sq=sum_sq) + 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: @@ -520,7 +552,6 @@ class StatePoint(object): # Initialize SourceSite object for each particle for i in range(self._n_particles): - # Initialize new source site site = SourceSite() @@ -536,9 +567,18 @@ class StatePoint(object): # 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.""" + """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 @@ -548,11 +588,16 @@ class StatePoint(object): 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 + """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 @@ -572,49 +617,45 @@ class StatePoint(object): 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 satisfieds all of the input parameters. + 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 Tallies properties. + specification and may only represent a subset of the Tally's properties. Parameters ---------- - scores : list - A list of one or more score strings (default is []). - - filters : list - A list of Filter objects (default is []). - - nuclides : list - A list of Nuclide objects (default is []). - - name : str - The name specified for the Tally (default is None). - - id : int - The id specified for the Tally (default is None). - - estimator: str - The type of estimator ('tracklength', 'analog'; default is None). + 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 ------- - A Tally object. + tally : Tally + A tally matching the specified criteria Raises ------ - LookupError : An error when a Tally meeting all of the input - parameters cannot be found in the statepoint. + LookupError + If a Tally meeting all of the input parameters cannot be found in + the statepoint. + """ tally = None @@ -640,7 +681,7 @@ class StatePoint(object): # Iterate over the scores requested by the user for score in scores: - if not score in test_tally.scores: + if score not in test_tally.scores: contains_scores = False break @@ -653,7 +694,7 @@ class StatePoint(object): # Iterate over the Filters requested by the user for filter in filters: - if not filter in test_tally.filters: + if filter not in test_tally.filters: contains_filters = False break @@ -666,7 +707,7 @@ class StatePoint(object): # Iterate over the Nuclides requested by the user for nuclide in nuclides: - if not nuclide in test_tally.nuclides: + if nuclide not in test_tally.nuclides: contains_nuclides = False break @@ -683,14 +724,15 @@ class StatePoint(object): 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. + 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 ---------- @@ -699,8 +741,10 @@ class StatePoint(object): Raises ------ - ValueError : An error when the argument passed to the 'summary' - parameter is not an openmc.Summary object. + ValueError + An error when the argument passed to the 'summary' parameter is not + an openmc.Summary object. + """ if not isinstance(summary, openmc.summary.Summary): @@ -709,7 +753,6 @@ class StatePoint(object): 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 @@ -717,7 +760,6 @@ class StatePoint(object): 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')) @@ -725,7 +767,6 @@ class StatePoint(object): tally.add_nuclide(summary.nuclides[nuclide_zaid]) for filter in tally.filters: - if filter.type == 'surface': surface_ids = [] for bin in filter.bins: @@ -749,12 +790,11 @@ class StatePoint(object): 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), + return list(struct.unpack('={0}{1}'.format(n, typeCode), self._f.read(n*size))) def _get_int(self, n=1, path=None): diff --git a/openmc/summary.py b/openmc/summary.py index 61fb89a1e..c0673ef23 100644 --- a/openmc/summary.py +++ b/openmc/summary.py @@ -2,16 +2,18 @@ import numpy as np import openmc -try: - import h5py -except ImportError: - msg = 'Unable to import h5py which is needed by openmc.summary' - raise ImportError(msg) - 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() @@ -27,9 +29,7 @@ class Summary(object): 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], @@ -44,9 +44,7 @@ class Summary(object): 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() @@ -56,9 +54,7 @@ class Summary(object): self._read_lattices() self._finalize_geometry() - def _read_nuclides(self): - self.n_nuclides = self._f['nuclides/n_nuclides'][0] # Initialize dictionary for each Nuclide @@ -67,7 +63,6 @@ class Summary(object): self.nuclides = {} for key in self._f['nuclides'].keys(): - if key == 'n_nuclides': continue @@ -88,9 +83,7 @@ class Summary(object): 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 @@ -99,7 +92,6 @@ class Summary(object): self.materials = {} for key in self._f['materials'].keys(): - if key == 'n_materials': continue @@ -116,7 +108,6 @@ class Summary(object): # 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 @@ -148,9 +139,7 @@ class Summary(object): # 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 @@ -159,7 +148,6 @@ class Summary(object): self.surfaces = {} for key in self._f['geometry/surfaces'].keys(): - if key == 'n_surfaces': continue @@ -171,7 +159,6 @@ class Summary(object): 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) @@ -232,9 +219,7 @@ class Summary(object): # 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 @@ -251,7 +236,6 @@ class Summary(object): self._cell_fills = {} for key in self._f['geometry/cells'].keys(): - if key == 'n_cells': continue @@ -310,9 +294,7 @@ class Summary(object): # 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 @@ -321,7 +303,6 @@ class Summary(object): self.universes = {} for key in self._f['geometry/universes'].keys(): - if key == 'n_universes': continue @@ -340,9 +321,7 @@ class Summary(object): # 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 @@ -351,7 +330,6 @@ class Summary(object): self.lattices = {} for key in self._f['geometry/lattices'].keys(): - if key == 'n_lattices': continue @@ -383,7 +361,6 @@ class Summary(object): 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] @@ -395,14 +372,14 @@ class Summary(object): 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]) + 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 = np.transpose(universes, (1, 0, 2)) universes.shape = shape - universes = universes[:,::-1,:] + universes = universes[:, ::-1, :] lattice.universes = universes if offset_size > 0: @@ -420,8 +397,8 @@ class Summary(object): 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 = self._f[ + 'geometry/lattices'][key]['universes'][...] # Create the Lattice lattice = openmc.HexLattice(lattice_id=lattice_id, name=name) @@ -441,9 +418,9 @@ class Summary(object): for i in range(universe_ids.shape[0]): for j in range(universe_ids.shape[1]): for k in range(universe_ids.shape[2]): - if universe_ids[i,j,k] != -1: - universes[i,j,k] = \ - self.get_universe_by_id(universe_ids[i,j,k]) + if universe_ids[i, j, k] != -1: + universes[i, j, k] = self.get_universe_by_id( + universe_ids[i, j, k]) if offset_size > 0: lattice.offsets = offsets @@ -451,15 +428,12 @@ class Summary(object): # 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] @@ -482,16 +456,14 @@ class Summary(object): 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 not 'tallies' in self._f.keys(): + if 'tallies' not in self._f: self.n_tallies = 0 return @@ -554,8 +526,11 @@ class Summary(object): # 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 @@ -567,8 +542,22 @@ class Summary(object): 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: @@ -576,8 +565,20 @@ class Summary(object): 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: @@ -585,8 +586,20 @@ class Summary(object): 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: @@ -594,8 +607,20 @@ class Summary(object): 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: @@ -603,8 +628,20 @@ class Summary(object): 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: @@ -612,8 +649,20 @@ class Summary(object): 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: diff --git a/openmc/surface.py b/openmc/surface.py index 0e958b456..d5d258fa7 100644 --- a/openmc/surface.py +++ b/openmc/surface.py @@ -1,22 +1,57 @@ +from abc import ABCMeta +from numbers import Real, Integral from xml.etree import ElementTree as ET +import sys -from openmc.checkvalue import * +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 @@ -32,87 +67,49 @@ class Surface(object): # 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 - - # Check that the ID is an integer and wasn't already used - elif not is_integer(surface_id): - msg = 'Unable to set a non-integer Surface ' \ - 'ID {0}'.format(surface_id) - raise ValueError(msg) - - elif surface_id < 0: - msg = 'Unable to set Surface ID to {0} since it must be a ' \ - 'non-negative integer'.format(surface_id) - raise ValueError(msg) - 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): - - if not is_string(name): - msg = 'Unable to set name for Surface ID={0} with a non-string ' \ - 'value {1}'.format(self._id, name) - raise ValueError(msg) - - else: - self._name = name - + check_type('surface name', name, basestring) + self._name = name @boundary_type.setter def boundary_type(self, boundary_type): - - if not is_string(boundary_type): - msg = 'Unable to set boundary type for Surface ID={0} with a ' \ - 'non-string value {1}'.format(self._id, boundary_type) - raise ValueError(msg) - - elif not boundary_type in BC_TYPES.values(): - msg = 'Unable to set boundary type for Surface ID={0} to ' \ - '{1} which is not trasmission, vacuum or ' \ - 'reflective'.format(boundary_type) - raise ValueError(msg) - - else: - self._boundary_type = 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) @@ -128,9 +125,7 @@ class Surface(object): return string - def create_xml_subelement(self): - element = ET.Element("surface") element.set("id", str(self._id)) @@ -139,569 +134,711 @@ class Surface(object): element.set("type", self._type) element.set("boundary", self._boundary_type) - - coeffs = '' - - for coeff in self._coeff_keys: - coeffs += '{0} '.format(self._coeffs[coeff]) - - element.set("coeffs", coeffs.rstrip(' ')) + 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='',): - + 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 not A is None: + if A is not None: self.a = A - if not B is None: + if B is not None: self.b = B - if not C is None: + if C is not None: self.c = C - if not D is None: + 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): - - if not is_integer(A) and not is_float(A): - msg = 'Unable to set A coefficient for Plane ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, A) - raise ValueError(msg) - + check_type('A coefficient', A, Real) self._coeffs['A'] = A - @b.setter def b(self, B): - - if not is_integer(B) and not is_float(B): - msg = 'Unable to set B coefficient for Plane ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, B) - raise ValueError(msg) - + check_type('B coefficient', B, Real) self._coeffs['B'] = B - @c.setter def c(self, C): - - if not is_integer(C) and not is_float(C): - msg = 'Unable to set C coefficient for Plane ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, C) - raise ValueError(msg) - + check_type('C coefficient', C, Real) self._coeffs['C'] = C - @d.setter def d(self, D): - - if not is_integer(D) and not is_float(D): - msg = 'Unable to set D coefficient for Plane ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, D) - raise ValueError(msg) - + 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 not x0 is None: + if x0 is not None: self.x0 = x0 - @property def x0(self): return self.coeff['x0'] - @x0.setter def x0(self, x0): - - if not is_integer(x0) and not is_float(x0): - msg = 'Unable to set x0 coefficient for XPlane ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, x0) - raise ValueError(msg) - + 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 not y0 is None: + if y0 is not None: self.y0 = y0 - @property def y0(self): return self.coeffs['y0'] - @y0.setter def y0(self, y0): - - if not is_integer(y0) and not is_float(y0): - msg = 'Unable to set y0 coefficient for XPlane ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, y0) - raise ValueError(msg) - + 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 not z0 is None: + if z0 is not None: self.z0 = z0 - @property def z0(self): return self.coeffs['z0'] - @z0.setter def z0(self, z0): - - if not is_integer(z0) and not is_float(z0): - msg = 'Unable to set z0 coefficient for ZPlane ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, z0) - raise ValueError(msg) - + 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 not R is None: + if R is not None: self.r = R - @property def r(self): return self.coeffs['R'] - @r.setter def r(self, R): - - if not is_integer(R) and not is_float(R): - msg = 'Unable to set R coefficient for Cylinder ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, R) - raise ValueError(msg) - + 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 not y0 is None: + if y0 is not None: self.y0 = y0 - if not z0 is None: + 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): - - if not is_integer(y0) and not is_float(y0): - msg = 'Unable to set y0 coefficient for XCylinder ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, y0) - raise ValueError(msg) - + check_type('y0 coefficient', y0, Real) self._coeffs['y0'] = y0 - @z0.setter def z0(self, z0): - - if not is_integer(z0) and not is_float(z0): - msg = 'Unable to set z0 coefficient for XCylinder ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, z0) - raise ValueError(msg) - + 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 not x0 is None: + if x0 is not None: self.x0 = x0 - if not z0 is None: + 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): - - if not is_integer(x0) and not is_float(x0): - msg = 'Unable to set x0 coefficient for YCylinder ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, x0) - raise ValueError(msg) - + check_type('x0 coefficient', x0, Real) self._coeffs['x0'] = x0 - @z0.setter def z0(self, z0): - - if not is_integer(z0) and not is_float(z0): - msg = 'Unable to set z0 coefficient for YCylinder ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, z0) - raise ValueError(msg) - + 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 - # Initialize YPlane class attributes super(ZCylinder, self).__init__(surface_id, boundary_type, R, name=name) self._type = 'z-cylinder' self._coeff_keys = ['x0', 'y0', 'R'] - if not x0 is None: + if x0 is not None: self.x0 = x0 - if not y0 is None: + 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): - - if not is_integer(x0) and not is_float(x0): - msg = 'Unable to set x0 coefficient for ZCylinder ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, x0) - raise ValueError(msg) - + check_type('x0 coefficient', x0, Real) self._coeffs['x0'] = x0 - @y0.setter def y0(self, y0): - - if not is_integer(y0) and not is_float(y0): - msg = 'Unable to set y0 coefficient for ZCylinder ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, y0) - raise ValueError(msg) - + 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 not x0 is None: + if x0 is not None: self.x0 = x0 - if not y0 is None: + if y0 is not None: self.y0 = y0 - if not z0 is None: + if z0 is not None: self.z0 = z0 - if not R is None: + 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): - - if not is_integer(x0) and not is_float(x0): - msg = 'Unable to set x0 coefficient for Sphere ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, x0) - raise ValueError(msg) - + check_type('x0 coefficient', x0, Real) self._coeffs['x0'] = x0 - @y0.setter def y0(self, y0): - - if not is_integer(y0) and not is_float(y0): - msg = 'Unable to set y0 coefficient for Sphere ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, y0) - raise ValueError(msg) - + check_type('y0 coefficient', y0, Real) self._coeffs['y0'] = y0 - @z0.setter def z0(self, z0): - - if not is_integer(z0) and not is_float(z0): - msg = 'Unable to set z0 coefficient for Sphere ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, z0) - raise ValueError(msg) - + check_type('z0 coefficient', z0, Real) self._coeffs['z0'] = z0 - @r.setter def r(self, R): - - if not is_integer(R) and not is_float(R): - msg = 'Unable to set R coefficient for Sphere ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, R) - raise ValueError(msg) - + 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 not x0 is None: + if x0 is not None: self.x0 = x0 - if not y0 is None: + if y0 is not None: self.y0 = y0 - if not z0 is None: + if z0 is not None: self.z0 = z0 - if not R2 is None: + 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): - - if not is_integer(x0) and not is_float(x0): - msg = 'Unable to set x0 coefficient for Cone ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, x0) - raise ValueError(msg) - + check_type('x0 coefficient', x0, Real) self._coeffs['x0'] = x0 - @y0.setter def y0(self, y0): - - if not is_integer(y0) and not is_float(y0): - msg = 'Unable to set y0 coefficient for Cone ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, y0) - raise ValueError(msg) - + check_type('y0 coefficient', y0, Real) self._coeffs['y0'] = y0 - @z0.setter def z0(self, z0): - - if not is_integer(z0) and not is_float(z0): - msg = 'Unable to set z0 coefficient for Cone ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, z0) - raise ValueError(msg) - + check_type('z0 coefficient', z0, Real) self._coeffs['z0'] = z0 - @r2.setter def r2(self, R2): - - if not is_integer(R2) and not is_float(R2): - msg = 'Unable to set R^2 coefficient for Cone ID={0} to a ' \ - 'non-integer value {1}'.format(self._id, R2) - raise ValueError(msg) - + 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) @@ -709,12 +846,45 @@ class XCone(Cone): 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) @@ -722,12 +892,45 @@ class YCone(Cone): 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) diff --git a/openmc/tallies.py b/openmc/tallies.py index 512e93c9a..a7605fbcc 100644 --- a/openmc/tallies.py +++ b/openmc/tallies.py @@ -1,16 +1,23 @@ +from collections import Iterable import copy import os +import pickle import itertools +from numbers import Integral from xml.etree import ElementTree as ET +import sys import numpy as np from openmc import Mesh, Filter, Trigger, Nuclide from openmc.summary import Summary +from openmc.checkvalue import check_type, check_value, check_greater_than from openmc.clean_xml import * -from openmc.checkvalue import * +if sys.version_info[0] >= 3: + basestring = str + # "Static" variable for auto-generated Tally IDs AUTO_TALLY_ID = 10000 @@ -21,9 +28,60 @@ def reset_auto_tally_id(): 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 @@ -42,14 +100,11 @@ class Tally(object): self._mean = None self._std_dev = None - 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 @@ -63,19 +118,19 @@ class Tally(object): clone.filters = [] for filter in self.filters: - clone.add_filter(copy.deepcopy(filter, memo)) + clone.add_filter(copy.deepcopy(filter, memo)) clone.nuclides = [] for nuclide in self.nuclides: - clone.add_nuclide(copy.deepcopy(nuclide, memo)) + clone.add_nuclide(copy.deepcopy(nuclide, memo)) clone.scores = [] for score in self.scores: - clone.add_score(score) + clone.add_score(score) clone.triggers = [] for trigger in self.triggers: - clone.add_trigger(trigger) + clone.add_trigger(trigger) memo[id(self)] = clone @@ -85,15 +140,13 @@ class Tally(object): 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 not filter in tally2.filters: + if filter not in tally2.filters: return False # Check all nuclides @@ -101,7 +154,7 @@ class Tally(object): return False for nuclide in self.nuclides: - if not nuclide in tally2.nuclides: + if nuclide not in tally2.nuclides: return False # Check all scores @@ -109,7 +162,7 @@ class Tally(object): return False for score in self.scores: - if not score in tally2.scores: + if score not in tally2.scores: return False if self.estimator != tally2.estimator: @@ -117,7 +170,6 @@ class Tally(object): return True - def __hash__(self): hashable = [] @@ -135,9 +187,7 @@ class Tally(object): return hash(tuple(hashable)) - def __add__(self, other): - # FIXME: Error checking: must check that results has been # set and that # bins is the same @@ -145,55 +195,40 @@ class Tally(object): new_tally._mean = self._mean + other._mean new_tally._std_dev = np.sqrt(self.std_dev**2 + other.std_dev**2) - @property def id(self): return self._id - @property def name(self): return self._name - @property def filters(self): return self._filters - - @property - def num_filters(self): - return len(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: @@ -201,7 +236,6 @@ class Tally(object): return num_bins - @property def num_bins(self): num_bins = self.num_filter_bins @@ -209,59 +243,58 @@ class Tally(object): 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 - @estimator.setter def estimator(self, estimator): - - if not estimator in ['analog', 'tracklength']: - msg = 'Unable to set the estimator for Tally ID={0} to {1} since ' \ - 'it is not a valid estimator type'.format(self.id, estimator) - raise ValueError(msg) - + 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 ' \ @@ -270,44 +303,31 @@ class Tally(object): 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 - - # Check that the ID is an integer and wasn't already used - elif not is_integer(tally_id): - msg = 'Unable to set a non-integer Tally ID {0}'.format(tally_id) - raise ValueError(msg) - - elif tally_id < 0: - msg = 'Unable to set Tally ID to {0} since it must be a ' \ - 'non-negative integer'.format(tally_id) - raise ValueError(msg) - 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): - - if not is_string(name): - msg = 'Unable to set name for Tally ID={0} with a non-string ' \ - 'value "{1}"'.format(self.id, name) - raise ValueError(msg) - - else: - self._name = name - + check_type('tally name', name, basestring) + self._name = name def add_filter(self, filter): + """Add a filter to the tally - global filters + Parameters + ---------- + filter : openmc.filter.Filter + Filter to add + + """ if not isinstance(filter, Filter): msg = 'Unable to add Filter "{0}" to Tally ID={1} since it is ' \ @@ -316,14 +336,29 @@ class Tally(object): 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 - if not is_string(score): + Parameters + ---------- + score : str + Score to be accumulated, e.g. 'flux' + + """ + + if not isinstance(score, basestring): msg = 'Unable to add score "{0}" to Tally ID={1} since it is ' \ 'not a string'.format(score, self.id) raise ValueError(msg) @@ -334,100 +369,106 @@ class Tally(object): 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): - - if not is_integer(num_realizations): - msg = 'Unable to set the number of realizations to "{0}" for ' \ - 'Tally ID={1} since it is not an ' \ - 'integer'.format(num_realizations) - raise ValueError(msg) - - elif num_realizations < 0: - msg = 'Unable to set the number of realizations to "{0}" for ' \ - 'Tally ID={1} since it is a negative ' \ - 'value'.format(num_realizations) - raise ValueError(msg) - + 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): - - if not isinstance(with_summary, bool): - msg = 'Unable to set with_summary to a non-boolean ' \ - 'value "{0}"'.format(with_summary) - raise ValueError(msg) - + check_type('with_summary', with_summary, bool) self._with_summary = with_summary - - def set_results(self, sum, sum_sq): - - if not isinstance(sum, (tuple, list, np.ndarray)): - msg = 'Unable to set the sum to "{0}" for Tally ID={1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(sum, self.id) - raise ValueError(msg) - - if not isinstance(sum_sq, (tuple, list, np.ndarray)): - msg = 'Unable to set the sum to "{0}" for Tally ID={1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(sum_sq, self.id) - raise ValueError(msg) - + @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 - if not score in self.scores: + 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 - if not filter in self.filters: + 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 - if not nuclide in self.nuclides: + 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 - # Calculate sample mean and standard deviation - self._mean = self.sum / self.num_realizations - self._std_dev = np.sqrt((self.sum_sq / self.num_realizations - \ + 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 - 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) @@ -453,8 +494,15 @@ class Tally(object): 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 @@ -468,7 +516,7 @@ class Tally(object): return False for nuclide in self.nuclides: - if not nuclide in tally.nuclides: + if nuclide not in tally.nuclides: return False # Must have same or mergeable filters @@ -484,15 +532,27 @@ class Tally(object): mergeable_filter = True break - # If no mergeable filter was found, the tallies are not mergable + # 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) @@ -522,8 +582,15 @@ class Tally(object): 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") @@ -536,12 +603,10 @@ class Tally(object): # Optional Tally filters for filter in self.filters: - subelement = ET.SubElement(element, "filter") subelement.set("type", str(filter.type)) - if not filter.bins is None: - + if filter.bins is not None: bins = '' for bin in filter.bins: bins += '{0} '.format(bin) @@ -550,7 +615,6 @@ class Tally(object): # Optional Nuclides if len(self.nuclides) > 0: - nuclides = '' for nuclide in self.nuclides: if isinstance(nuclide, Nuclide): @@ -568,7 +632,6 @@ class Tally(object): raise ValueError(msg) else: - scores = '' for score in self.scores: scores += '{0} '.format(score) @@ -577,7 +640,7 @@ class Tally(object): subelement.text = scores.rstrip(' ') # Tally estimator type - if not self.estimator is None: + if self.estimator is not None: subelement = ET.SubElement(element, "estimator") subelement.text = self.estimator @@ -587,8 +650,26 @@ class Tally(object): 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 @@ -606,27 +687,27 @@ class Tally(object): 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.) + 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. + 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 @@ -636,23 +717,25 @@ class Tally(object): 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') + The name of the Nuclide (e.g., 'H-1', 'U-238') Returns ------- - The index in the Tally data array for this nuclide. + nuclide_index : int + The index in the Tally data array for this nuclide. Raises ------ - KeyError : An error when the argument passed to the 'nuclide' - parameter cannot be found in the Tally. + KeyError + When the argument passed to the 'nuclide' parameter cannot be found + in the Tally. + """ nuclide_index = -1 @@ -679,23 +762,25 @@ class Tally(object): 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') + The score string (e.g., 'absorption', 'nu-fission') Returns ------- - The index in the Tally data array for this score. + score_index : int + The index in the Tally data array for this score. Raises ------ - ValueError: An error when the argument passed to the 'score' - parameter cannot be found in the Tally. + ValueError + When the argument passed to the 'score' parameter cannot be found in + the Tally. + """ try: @@ -708,7 +793,6 @@ class Tally(object): 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. @@ -720,42 +804,47 @@ class Tally(object): Parameters ---------- scores : list - A list of one or more score strings - (e.g., ['absorption', 'nu-fission']; default is []) + 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 []) + 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. + 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 []) + 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 + A string for the type of value to return - 'mean' (default), + 'std_dev', 'rel_err', 'sum', or 'sum_sq' are accepted Returns ------- - A scalar or NumPy array of the Tally data indexed in the order - each filter, nuclide and score is listed in the parameters. + 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 : An error when this routine is called before the Tally - is populated with data by the StatePoint.read_results() routine. + ValueError + When this routine is called before the Tally is populated with data + by the StatePoint.read_results() routine. 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 @@ -765,20 +854,17 @@ class Tally(object): 'Tally.get_values(...)'.format(self.id) raise ValueError(msg) - # Compute batch statistics if not yet computed self.compute_std_dev() ############################ 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): - # Initialize empty list of indices for this Filter's bins filter_indices.append([]) @@ -793,11 +879,10 @@ class Tally(object): # 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) + xyz = map(lambda x: np.arange(1, x+1), dimension) bins = list(itertools.product(*xyz)) # Create list of 2-tuples for energy boundary bins @@ -866,7 +951,6 @@ class Tally(object): return data.squeeze() - def get_pandas_dataframe(self, filters=True, nuclides=True, scores=True, summary=None): """Build a Pandas DataFrame for the Tally data. @@ -880,31 +964,34 @@ class Tally(object): Parameters ---------- filters : bool - Include columns with filter bin information (default is True). + Include columns with filter bin information (default is True). nuclides : bool - Include columns with nuclide bin information (default is True). + Include columns with nuclide bin information (default is True). scores : bool - Include columns with score bin information (default is True). + Include columns with score bin information (default is True). summary : None or Summary - An optional Summary object to be used to construct columns for - 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. + 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 ------- - 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. + 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 : An error when this routine is called before the Tally - is populated with data by the StatePoint.read_results() routine. + KeyError + When this routine is called before the Tally is populated with data + by the StatePoint.read_results() routine. + """ # Ensure that StatePoint.read_results() was called first @@ -940,9 +1027,7 @@ class Tally(object): # Build DataFrame columns for filters if user requested them if filters: - for filter in self.filters: - # mesh filters if filter.type == 'mesh': @@ -989,9 +1074,7 @@ class Tally(object): # distribcell filters elif filter.type == 'distribcell': - if isinstance(summary, Summary): - # Attempt to import the OpenCG package try: import opencg @@ -1078,7 +1161,7 @@ class Tally(object): # If entire LocalCoords has been unraveled into # Multi-index columns already, continue - if coords == None: + if coords is None: continue # Assign entry to Universe Multi-index column @@ -1100,7 +1183,7 @@ class Tally(object): level_dict[lat_z_key][offset] = lat_z # Move to next node in LocalCoords linked list - if coords._next == None: + if coords._next is None: offsets_to_coords[offset] = None else: offsets_to_coords[offset] = coords._next @@ -1180,7 +1263,6 @@ class Tally(object): 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. @@ -1188,22 +1270,24 @@ class Tally(object): Parameters ---------- filename : str - The name of the file for the results (default is 'tally-results') + The name of the file for the results (default is 'tally-results') directory : str - The name of the directory for the results (default is '.') + 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 + 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) + Whether or not to append the results to the file (default is True) Raises ------ - KeyError : An error when this routine is called before the Tally - is populated with data by the StatePoint.read_results() routine. + KeyError + When this routine is called before the Tally is populated with data + by the StatePoint.read_results() routine. + """ # Ensure that StatePoint.read_results() was called first @@ -1213,36 +1297,34 @@ class Tally(object): 'Tally.export_results(...)'.format(self.id) raise KeyError(msg) - if not is_string(filename): + 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 is_string(directory): + 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 not format in ['hdf5', 'pkl', 'csv']: + 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, np.bool)): + elif not isinstance(append, bool): msg = 'Unable to export the results for Tally ID={0} since the ' \ - 'append parameters is not True/False'.format(self.id, append) + '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' @@ -1267,7 +1349,6 @@ class Tally(object): 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 @@ -1285,12 +1366,8 @@ class Tally(object): # Close the Tally results HDF5 file tally_results.close() - # Python pickle binary file elif format == 'pkl': - - import pickle - # Load the dictionary from the Pickle file filename = directory + '/' + filename + '.pkl' @@ -1315,7 +1392,7 @@ class Tally(object): for nuclide in self.nuclides: nuclides.append(nuclide.name) - tally_group['nuclides']= np.array(nuclides) + tally_group['nuclides'] = np.array(nuclides) # Create a nested dictionary for the Filters tally_group['filters'] = {} @@ -1335,16 +1412,29 @@ class Tally(object): 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) @@ -1358,7 +1448,6 @@ class TalliesFile(object): # 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 @@ -1372,23 +1461,32 @@ class TalliesFile(object): 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 @@ -1399,8 +1497,15 @@ class TalliesFile(object): # 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) @@ -1408,33 +1513,38 @@ class TalliesFile(object): 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): - + 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): - + 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() + """ + + self._create_mesh_subelements() + self._create_tally_subelements() # Clean the indentation in the file to be user-readable clean_xml_indentation(self._tallies_file) diff --git a/openmc/trigger.py b/openmc/trigger.py index 140fe9351..e695defde 100644 --- a/openmc/trigger.py +++ b/openmc/trigger.py @@ -1,25 +1,47 @@ +from numbers import Real from xml.etree import ElementTree as ET +import sys -from openmc.checkvalue import * +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 @@ -36,47 +58,40 @@ class Trigger(object): 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): - - if not trigger_type in ['variance', 'std_dev', 'rel_err']: - msg = 'Unable to create a tally trigger with ' \ - 'type "{0}"'.format(trigger_type) - raise ValueError(msg) - + check_value('tally trigger type', trigger_type, + ['variance', 'std_dev', 'rel_err']) self._trigger_type = trigger_type - @threshold.setter def threshold(self, threshold): - - if not is_float(threshold): - msg = 'Unable to set a tally trigger threshold with ' \ - 'threshold "{0}"'.format(threshold) - raise ValueError(msg) - + 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. - if not is_string(score): + 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) @@ -87,28 +102,25 @@ class Trigger(object): 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)) - - # Scores if len(self._scores) != 0: - - scores = '' - for score in self._scores: - scores += '{0} '.format(score) - - scores.rstrip(' ') - subelement.set("scores", scores) + subelement.set("scores", ' '.join(map(str, self._scores))) diff --git a/openmc/universe.py b/openmc/universe.py index d6e26ff38..84ce3696e 100644 --- a/openmc/universe.py +++ b/openmc/universe.py @@ -1,14 +1,16 @@ import abc -from collections import OrderedDict +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 -from openmc.checkvalue import * +from openmc.checkvalue import check_type, check_length, check_greater_than - -################################################################################ -#################################### Cell #################################### -################################################################################ +if sys.version_info[0] >= 3: + basestring = str # A static variable for auto-generated Cell IDs AUTO_CELL_ID = 10000 @@ -17,18 +19,52 @@ AUTO_CELL_ID = 10000 # 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.name = name self._fill = None self._type = None self._surfaces = {} @@ -36,85 +72,57 @@ class Cell(object): 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 - - # Check that the ID is an integer and wasn't already used - elif not is_integer(cell_id): - msg = 'Unable to set a non-integer Cell ID {0}'.format(cell_id) - raise ValueError(msg) - - elif cell_id < 0: - msg = 'Unable to set Cell ID to {0} since it must be a ' \ - 'non-negative integer'.format(cell_id) - raise ValueError(msg) - else: + check_type('cell ID', cell_id, Integral) + check_greater_than('cell ID', cell_id, 0) self._id = cell_id - @name.setter def name(self, name): - - if not isinstance(name, str): - msg = 'Unable to set name for Cell ID={0} with a non-string ' \ - 'value {1}'.format(self._id, name) - raise ValueError(msg) - - else: - self._name = name - + check_type('cell name', name, basestring) + self._name = name @fill.setter def fill(self, fill): - - if isinstance(fill, str): + if isinstance(fill, basestring): if fill.strip().lower() == 'void': self._type = 'void' else: @@ -138,86 +146,59 @@ class Cell(object): self._fill = fill - @rotation.setter def rotation(self, rotation): - - if not isinstance(rotation, (tuple, list, np.ndarray)): - msg = 'Unable to add rotation {0} to Cell ID={1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(rotation, self._id) - raise ValueError(msg) - - elif len(rotation) != 3: - msg = 'Unable to add rotation {0} to Cell ID={1} since ' \ - 'it does not contain 3 values'.format(rotation, self._id) - raise ValueError(msg) - - for axis in rotation: - - if not is_integer(axis) and not is_float(axis): - msg = 'Unable to add rotation {0} to Cell ID={1} since ' \ - 'it is not an integer or floating point ' \ - 'value'.format(axis, self._id) - raise ValueError(msg) - - self._rotation = rotation - + check_type('cell rotation', rotation, Iterable, Real) + check_length('cell rotation', rotation, 3) + self._rotation = rotation @translation.setter def translation(self, translation): - - if not isinstance(translation, (tuple, list, np.ndarray)): - msg = 'Unable to add translation {0} to Cell ID={1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(translation, self._id) - raise ValueError(msg) - - elif len(translation) != 3: - msg = 'Unable to add translation {0} to Cell ID={1} since ' \ - 'it does not contain 3 values'.format(translation, self._id) - raise ValueError(msg) - - for axis in translation: - if not is_integer(axis) and not is_float(axis): - msg = 'Unable to add translation {0} to Cell ID={1} since ' \ - 'it is not an integer or floating point ' \ - 'value'.format(axis, self._id) - raise ValueError(msg) - + check_type('cell translation', translation, Iterable, Real) + check_length('cell translation', translation, 3) self._translation = translation - @offsets.setter def offsets(self, offsets): - - if not isinstance(offsets, (tuple, list, np.ndarray)): - msg = 'Unable to set offsets {0} to Cell ID={1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(offsets, self._id) - raise ValueError(msg) - + 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 not halfspace in [-1, +1]: + 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 not surface._id in self._surfaces: + 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 ' \ @@ -228,27 +209,7 @@ class Cell(object): if surface._id in self._surfaces: del self._surfaces[surface._id] - - def set_surfaces(self, surfaces, halfspaces): - - if not isinstance(surfaces, (tuple, list, np.ndarray)): - msg = 'Unable to set Cell ID={0} with Surfaces {1} since ' \ - 'it is not a a Python tuple/list or NumPy ' \ - 'array'.format(self._id, surfaces) - raise ValueError(msg) - - if not isinstance(halfspaces, (tuple, list, np.ndarray)): - msg = 'Unable to set Cell ID={0} with Surface halfspaces {1} ' \ - 'since it is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, halfspaces) - raise ValueError(msg) - - for surface in surfaces: - self.add_surface(surface) - - def get_offset(self, path, filter_offset): - # Get the current element and remove it from the list cell_id = path[0] path = path[1:] @@ -268,8 +229,16 @@ class Cell(object): 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 = {} @@ -278,8 +247,16 @@ class Cell(object): 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 = {} @@ -288,8 +265,17 @@ class Cell(object): 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 = {} @@ -301,9 +287,7 @@ class Cell(object): 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) @@ -333,9 +317,7 @@ class Cell(object): return string - def create_xml_subelement(self, xml_element): - element = ET.Element("cell") element.set("id", str(self._id)) @@ -356,20 +338,16 @@ class Cell(object): element.set("fill", str(self._fill)) self._fill.create_xml_subelement(xml_element) - - if not self._surfaces is None: - + 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() @@ -381,46 +359,47 @@ class Cell(object): element.set("surfaces", surfaces.rstrip(' ')) + if self._translation is not None: + element.set("translation", ' '.join(map(str, self._translation))) - if not self._translation is None: - - translation = '' - - for axis in self._translation: - translation += '{0} '.format(axis) - - element.set("translation", translation.rstrip(' ')) - - - if not self._rotation is None: - - rotation = '' - - for axis in self._rotation: - rotation += '{0} '.format(axis) - - element.set("rotation", rotation.rstrip(' ')) + if self._rotation is not None: + element.set("rotation", ' '.join(map(str, self._rotation))) return element - -################################################################################ -################################### Universe ################################# -################################################################################ - # 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 @@ -434,58 +413,43 @@ class Universe(object): 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 - - # Check that the ID is an integer and wasn't already used - elif not is_integer(universe_id): - msg = 'Unable to set Universe ID to a non-integer ' \ - '{0}'.format(universe_id) - raise ValueError(msg) - - elif universe_id < 0: - msg = 'Unable to set Universe ID to {0} since it must be a ' \ - 'non-negative integer'.format(universe_id) - raise ValueError(msg) - else: + check_type('universe ID', universe_id, Integral) + check_greater_than('universe ID', universe_id, 0, True) self._id = universe_id - @name.setter def name(self, name): - - if not is_string(name): - msg = 'Unable to set name for Universe ID={0} with a non-string ' \ - 'value {1}'.format(self._id, name) - raise ValueError(msg) - - else: - self._name = name - + 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 ' \ @@ -494,22 +458,36 @@ class Universe(object): cell_id = cell._id - if not cell_id in self._cells: + if cell_id not in self._cells: self._cells[cell_id] = cell - def add_cells(self, cells): + """Add multiple cells to the universe. - if not isinstance(cells, (list, tuple, np.ndarray)): - msg = 'Unable to add Cells to Universe ID={0} since {1} is not a ' \ - 'Python tuple/list or NumPy array'.format(self._id, cells) + 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 i in range(len(cells)): - self.add_cell(cells[i]) - + 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 ' \ @@ -522,13 +500,12 @@ class Universe(object): 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:] @@ -541,8 +518,16 @@ class Universe(object): # 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 = {} @@ -552,8 +537,15 @@ class Universe(object): 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 = {} @@ -566,8 +558,16 @@ class Universe(object): 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() @@ -580,9 +580,7 @@ class Universe(object): 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) @@ -592,14 +590,12 @@ class Universe(object): 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 not cell_id in WRITTEN_IDS: + if cell_id not in WRITTEN_IDS: WRITTEN_IDS[cell_id] = None # Create XML subelement for this Cell @@ -610,19 +606,37 @@ class Universe(object): xml_element.append(cell_subelement) - -################################################################################ -################################### Lattice ################################## -################################################################################ - - 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 + __metaclass__ = abc.ABCMeta def __init__(self, lattice_id=None, name=''): - # Initialize Lattice class attributes self.id = lattice_id self.name = name @@ -630,90 +644,62 @@ class Lattice(object): 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 - - # Check that the ID is an integer and wasn't already used - elif not is_integer(lattice_id): - msg = 'Unable to set non-integer Lattice ID {0}'.format(lattice_id) - raise ValueError(msg) - - elif lattice_id < 0: - msg = 'Unable to set Lattice ID to {0} since it must be a ' \ - 'non-negative integer'.format(lattice_id) - raise ValueError(msg) - else: + check_type('lattice ID', lattice_id, Integral) + check_greater_than('lattice ID', lattice_id, 0) self._id = lattice_id - @name.setter def name(self, name): - - if not is_string(name): - msg = 'Unable to set name for Lattice ID={0} with a non-string ' \ - 'value {1}'.format(self._id, name) - raise ValueError(msg) - - else: - self._name = name - + check_type('lattice name', name, basestring) + self._name = name @outer.setter def outer(self, outer): - - if not isinstance(outer, Universe): - msg = 'Unable to set Lattice ID={0} outer universe to {1} ' \ - 'since it is not a Universe object'.format(self._id, outer) - raise ValueError(msg) - + check_type('outer universe', outer, Universe) self._outer = outer - @universes.setter def universes(self, universes): - - if not isinstance(universes, (tuple, list, np.ndarray)): - msg = 'Unable to set Lattice ID={0} universes to {1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, universes) - raise ValueError(msg) - + check_type('lattice universes', universes, Iterable) self._universes = np.asarray(universes, dtype=Universe) - 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 + + """ unique_universes = np.unique(self._universes.ravel()) universes = {} @@ -723,8 +709,16 @@ class Lattice(object): return universes - 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 = {} @@ -737,8 +731,15 @@ class Lattice(object): 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() @@ -748,8 +749,16 @@ class Lattice(object): 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 @@ -768,17 +777,33 @@ class Lattice(object): return all_universes - - -################################################################################ -################################# RectLattice ################################ -################################################################################ - - 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 @@ -786,126 +811,46 @@ class RectLattice(Lattice): 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): - - if not isinstance(dimension, (tuple, list, np.ndarray)): - msg = 'Unable to set RectLattice ID={0} dimension to {1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, dimension) - raise ValueError(msg) - - elif len(dimension) != 2 and len(dimension) != 3: - msg = 'Unable to set RectLattice ID={0} dimension to {1} since ' \ - 'it does not contain 2 or 3 ' \ - 'coordinates'.format(self._id, dimension) - raise ValueError(msg) - + check_type('lattice dimension', dimension, Iterable, Integral) + check_length('lattice dimension', dimension, 2, 3) for dim in dimension: - - if not is_integer(dim) and not is_float(dim): - msg = 'Unable to set RectLattice ID={0} dimension to {1} since ' \ - 'it is not an integer or floating point ' \ - 'value'.format(self._id, dim) - raise ValueError(msg) - - - elif dim < 0: - msg = 'Unable to set RectLattice ID={0} dimension to {1} ' \ - 'since it is a negative value'.format(self._id, dim) - raise ValueError(msg) - + check_greater_than('lattice dimension', dim, 0) self._dimension = dimension - @lower_left.setter def lower_left(self, lower_left): - - if not isinstance(lower_left, (tuple, list, np.ndarray)): - msg = 'Unable to set RectLattice ID={0} lower_left to {1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, lower_left) - raise ValueError(msg) - - elif len(lower_left) != 2 and len(lower_left) != 3: - msg = 'Unable to set RectLattice ID={0} lower_left to {1} ' \ - 'since it does not contain 2 or 3 ' \ - 'coordinates'.format(self._id, lower_left) - raise ValueError(msg) - - - for dim in lower_left: - - if not is_integer(dim) and not is_float(dim): - msg = 'Unable to set RectLattice ID={0} lower_left to {1} since ' \ - 'it is is not an integer or floating point ' \ - 'value'.format(self._id, dim) - raise ValueError(msg) - + check_type('lattice lower left corner', lower_left, Iterable, Real) + check_length('lattice lower left corner', lower_left, 2, 3) self._lower_left = lower_left - @offsets.setter def offsets(self, offsets): - - if not isinstance(offsets, (tuple, list, np.ndarray)): - msg = 'Unable to set Lattice ID={0} offsets to {1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, offsets) - raise ValueError(msg) - + check_type('lattice offsets', offsets, Iterable) self._offsets = offsets - @Lattice.pitch.setter def pitch(self, pitch): - - if not isinstance(pitch, (tuple, list, np.ndarray)): - msg = 'Unable to set Lattice ID={0} pitch to {1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, pitch) - raise ValueError(msg) - - - elif len(pitch) != 2 and len(pitch) != 3: - msg = 'Unable to set Lattice ID={0} pitch to {1} since it does ' \ - 'not contain 2 or 3 coordinates'.format(self._id, pitch) - raise ValueError(msg) - + check_type('lattice pitch', pitch, Iterable, Real) + check_length('lattice pitch', pitch, 2, 3) for dim in pitch: - - if not is_integer(dim) and not is_float(dim): - msg = 'Unable to set Lattice ID={0} pitch to {1} since ' \ - 'it is not an an integer or floating point ' \ - 'value'.format(self._id, dim) - raise ValueError(msg) - - elif dim < 0: - msg = 'Unable to set Lattice ID={0} pitch to {1} since it ' \ - 'is a negative value'.format(self._id, dim) - raise ValueError(msg) - + 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:] @@ -923,9 +868,7 @@ class RectLattice(Lattice): 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) @@ -959,7 +902,6 @@ class RectLattice(Lattice): # 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 @@ -970,15 +912,13 @@ class RectLattice(Lattice): 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 not test is None: + if test is not None: return lattice_subelement = ET.Element("lattice") @@ -988,42 +928,22 @@ class RectLattice(Lattice): lattice_subelement.set("name", str(self._name)) # Export the Lattice cell pitch - if len(self._pitch) == 3: - pitch = ET.SubElement(lattice_subelement, "pitch") - pitch.text = '{0} {1} {2}'.format(self._pitch[0], \ - self._pitch[1], \ - self._pitch[2]) - else: - pitch = ET.SubElement(lattice_subelement, "pitch") - pitch.text = '{0} {1}'.format(self._pitch[0], \ - self._pitch[1]) + 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 - if len(self._dimension) == 3: - dimension = ET.SubElement(lattice_subelement, "dimension") - dimension.text = '{0} {1} {2}'.format(self._dimension[0], \ - self._dimension[1], \ - self._dimension[2]) - else: - dimension = ET.SubElement(lattice_subelement, "dimension") - dimension.text = '{0} {1}'.format(self._dimension[0], \ - self._dimension[1]) + dimension = ET.SubElement(lattice_subelement, "dimension") + dimension.text = ' '.join(map(str, self._dimension)) # Export Lattice lower left - if len(self._lower_left) == 3: - lower_left = ET.SubElement(lattice_subelement, "lower_left") - lower_left.text = '{0} {1} {2}'.format(self._lower_left[0], \ - self._lower_left[1], \ - self._lower_left[2]) - else: - lower_left = ET.SubElement(lattice_subelement, "lower_left") - lower_left.text = '{0} {1}'.format(self._lower_left[0], \ - self._lower_left[1]) + 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' @@ -1033,7 +953,6 @@ class RectLattice(Lattice): 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 @@ -1052,7 +971,6 @@ class RectLattice(Lattice): 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 @@ -1074,15 +992,34 @@ class RectLattice(Lattice): xml_element.append(lattice_subelement) -################################################################################ -################################## HexLattice ################################ -################################################################################ - - 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 @@ -1090,104 +1027,46 @@ class HexLattice(Lattice): 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): - - if not is_integer(num_rings) and num_rings < 1: - msg = 'Unable to set HexLattice ID={0} number of rings to {1} ' \ - 'since it is not a positive integer'.format(self._id, num_rings) - raise ValueError(msg) - + check_type('number of rings', num_rings, Integral) + check_greater_than('number of rings', num_rings, 0) self._num_rings = num_rings - @num_axial.setter def num_axial(self, num_axial): - - if not is_integer(num_axial) and num_axial < 1: - msg = 'Unable to set HexLattice ID={0} number of axial to {1} ' \ - 'since it is not a positive integer'.format(self._id, num_axial) - raise ValueError(msg) - + check_type('number of axial', num_axial, Integral) + check_greater_than('number of axial', num_axial, 0) self._num_axial = num_axial - @center.setter def center(self, center): - - if not isinstance(center, (tuple, list, np.ndarray)): - msg = 'Unable to set HexLattice ID={0} dimension to {1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, center) - raise ValueError(msg) - - elif len(center) != 2 and len(center) != 3: - msg = 'Unable to set HexLattice ID={0} center to {1} since ' \ - 'it does not contain 2 or 3 ' \ - 'coordinates'.format(self._id, center) - raise ValueError(msg) - - for dim in center: - - if not is_integer(dim) and not is_float(dim): - msg = 'Unable to set HexLattice ID={0} center to {1} since ' \ - 'it is not an integer or floating point ' \ - 'value'.format(self._id, dim) - raise ValueError(msg) - + check_type('lattice center', center, Iterable, Real) + check_length('lattice center', center, 2, 3) self._center = center - @Lattice.pitch.setter def pitch(self, pitch): - - if not isinstance(pitch, (tuple, list, np.ndarray)): - msg = 'Unable to set Lattice ID={0} pitch to {1} since ' \ - 'it is not a Python tuple/list or NumPy ' \ - 'array'.format(self._id, pitch) - raise ValueError(msg) - - - elif len(pitch) != 2 and len(pitch) != 3: - msg = 'Unable to set Lattice ID={0} pitch to {1} since it does ' \ - 'not contain 2 or 3 coordinates'.format(self._id, pitch) - raise ValueError(msg) - + check_type('lattice pitch', pitch, Iterable, Real) + check_length('lattice pitch', pitch, 1, 2) for dim in pitch: - - if not is_integer(dim) and not is_float(dim): - msg = 'Unable to set Lattice ID={0} pitch to {1} since ' \ - 'it is not an an integer or floating point ' \ - 'value'.format(self._id, dim) - raise ValueError(msg) - - elif dim < 0: - msg = 'Unable to set Lattice ID={0} pitch to {1} since it ' \ - 'is a negative value'.format(self._id, dim) - raise ValueError(msg) - + 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) @@ -1213,7 +1092,6 @@ class HexLattice(Lattice): # Set the number of axial positions. if n_dims == 3: self.num_axial = self._universes.shape[0] - else: self._num_axial = None @@ -1233,45 +1111,43 @@ class HexLattice(Lattice): # 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 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) + # 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) + 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) @@ -1299,15 +1175,13 @@ class HexLattice(Lattice): 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 not test is None: + if test is not None: return lattice_subelement = ET.Element("hex_lattice") @@ -1317,18 +1191,14 @@ class HexLattice(Lattice): lattice_subelement.set("name", str(self._name)) # Export the Lattice cell pitch - if len(self._pitch) == 2: - pitch = ET.SubElement(lattice_subelement, "pitch") - pitch.text = '{0} {1}'.format(self._pitch[0], \ - self._pitch[1]) - else: - pitch = ET.SubElement(lattice_subelement, "pitch") - pitch.text = '{0}'.format(self._pitch[0]) + 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)) @@ -1336,15 +1206,8 @@ class HexLattice(Lattice): lattice_subelement.set("n_axial", str(self._num_axial)) # Export Lattice cell center - if len(self._center) == 3: - dimension = ET.SubElement(lattice_subelement, "center") - dimension.text = '{0} {1} {2}'.format(self._center[0], \ - self._center[1], \ - self._center[2]) - else: - dimension = ET.SubElement(lattice_subelement, "center") - dimension.text = '{0} {1}'.format(self._center[0], \ - self._center[1]) + dimension = ET.SubElement(lattice_subelement, "center") + dimension.text = ' '.join(map(str, self._center)) # Export the Lattice nested Universe IDs. @@ -1375,8 +1238,8 @@ class HexLattice(Lattice): universe.create_xml_subelement(xml_element) # Initialize the remaining universes. - for r in range(self._num_rings-1): - for theta in range(2*(self._num_rings - r)): + 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) @@ -1389,7 +1252,6 @@ class HexLattice(Lattice): # 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. @@ -1491,7 +1353,8 @@ class HexLattice(Lattice): 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] + if y != 0: + rows[middle - y] = pad + rows[middle - y] # Join the rows together and return the string. universe_ids = '\n'.join(rows) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 7753f4734..209b752bf 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 @@ -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 diff --git a/src/cmfd_execute.F90 b/src/cmfd_execute.F90 index b967385b3..e620c1be3 100644 --- a/src/cmfd_execute.F90 +++ b/src/cmfd_execute.F90 @@ -95,7 +95,7 @@ contains #ifdef MPI use global, only: mpi_err - use mpi + use message_passing #endif integer :: nx ! maximum number of cells in x direction @@ -224,7 +224,7 @@ contains #ifdef MPI use global, only: mpi_err - use mpi + use message_passing #endif logical, intent(in) :: new_weights ! calcualte new weights diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index b362dcf99..169c76395 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -44,6 +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 @@ -103,7 +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 @@ -111,7 +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 diff --git a/src/constants.F90 b/src/constants.F90 index 0c9d15f6a..b1af171ef 100644 --- a/src/constants.F90 +++ b/src/constants.F90 @@ -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 @@ -317,13 +320,13 @@ module constants OUT_FRONT = 4, & IN_TOP = 5, & OUT_TOP = 6 - + ! Tally trigger types and threshold integer, parameter :: & VARIANCE = 1, & RELATIVE_ERROR = 2, & - STANDARD_DEVIATION = 3 - + STANDARD_DEVIATION = 3 + ! Global tallY parameters integer, parameter :: N_GLOBAL_TALLIES = 4 integer, parameter :: & diff --git a/src/eigenvalue.F90 b/src/eigenvalue.F90 index 3b7f149a8..aefb597d0 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 @@ -96,7 +96,7 @@ contains end do GENERATION_LOOP call finalize_batch() - + if (satisfy_triggers) exit BATCH_LOOP end do BATCH_LOOP @@ -171,6 +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 +!$omp end critical + + ! reset private tallies + global_tally_tracklength = 0 + global_tally_collision = 0 + global_tally_leakage = 0 + global_tally_absorption = 0 +!$omp end parallel + #ifdef _OPENMP ! Join the fission bank from each thread into one global fission bank call join_bank_from_threads() @@ -220,12 +240,12 @@ contains ! 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) + MPI_COMM_WORLD, mpi_err) #endif if (satisfy_triggers .or. & (trigger_on .and. current_batch == n_max_batches)) then @@ -273,7 +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 :: & @@ -544,7 +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 diff --git a/src/energy_grid.F90 b/src/energy_grid.F90 index 9bde48a5e..1473e5210 100644 --- a/src/energy_grid.F90 +++ b/src/energy_grid.F90 @@ -92,15 +92,17 @@ 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) diff --git a/src/error.F90 b/src/error.F90 index 77f663108..ecd7eb453 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 e52f4c862..aa11f4769 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 diff --git a/src/fixed_source.F90 b/src/fixed_source.F90 index 7db6d58fa..9e2d34600 100644 --- a/src/fixed_source.F90 +++ b/src/fixed_source.F90 @@ -1,7 +1,7 @@ module fixed_source #ifdef MPI - use mpi + use message_passing #endif use constants, only: ZERO, MAX_LINE_LEN diff --git a/src/geometry.F90 b/src/geometry.F90 index 31a905861..39d95817b 100644 --- a/src/geometry.F90 +++ b/src/geometry.F90 @@ -6,7 +6,7 @@ module geometry &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 @@ -76,20 +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 :: c ! pointer to cell type(Universe), pointer :: univ ! universe to search in - type(LocalCoord), pointer :: coord ! particle coordinate to search on - - coord => p % coord0 ! 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 @@ -99,10 +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 @@ -111,9 +109,6 @@ contains end if end do - - coord => coord % next - end do end subroutine check_cell_overlap @@ -130,6 +125,7 @@ contains logical, intent(inout) :: found integer, optional :: search_cells(:) integer :: i ! index over cells + 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 @@ -138,8 +134,10 @@ contains 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 @@ -147,7 +145,7 @@ 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 @@ -157,7 +155,7 @@ contains 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 @@ -169,7 +167,7 @@ contains if (.not. simple_cell_contains(c, p)) cycle ! Set cell on this level - p % coord % cell = index_cell + p % coord(j) % cell = index_cell ! Show cell information on trace if (verbosity >= 10 .or. trace) then @@ -188,28 +186,29 @@ contains ! ====================================================================== ! 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 + ! 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 - p % coord => p % coord % next - p % coord % universe = c % fill + j = j + 1 + p % n_coord = j + p % coord(j) % universe = c % fill ! Apply translation if (allocated(c % translation)) then - p % coord % xyz = p % coord % xyz - c % translation + p % coord(j) % xyz = p % coord(j) % xyz - c % translation end if ! Apply rotation if (allocated(c % rotation_matrix)) then - p % coord % xyz = matmul(c % rotation_matrix, p % coord % xyz) - p % coord % uvw = matmul(c % rotation_matrix, p % coord % uvw) - p % coord % rotated = .true. + 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 @@ -220,40 +219,41 @@ contains lat => lattices(c % fill) % obj ! Determine lattice indices - i_xyz = lat % get_indices(p % coord % xyz + TINY_BIT * p % coord % uvw) + i_xyz = lat % get_indices(p % coord(j) % xyz + TINY_BIT * p % coord(j) % uvw) - ! Create new level of coordinates - allocate(p % coord % next) - p % coord % next % xyz = lat % get_local_xyz(p % coord % xyz, i_xyz) - p % coord % next % uvw = p % coord % 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 % next% lattice = c % fill - p % coord % next% lattice_x = i_xyz(1) - p % coord % next% lattice_y = i_xyz(2) - p % coord % next% lattice_z = i_xyz(3) + 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 % next % universe = & - &lat % universes(i_xyz(1), i_xyz(2), i_xyz(3)) + 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 & + // trim(to_str(lat % id)) // " but the lattice has no & &defined outer universe.") else - p % coord % next % universe = lat % outer + p % coord(j + 1) % universe = lat % outer end if end if ! Move particle to next level and search for the lower cells. - p % coord => p % coord % next + j = j + 1 + p % n_coord = j call find_cell(p, found) + j = p % n_coord if (.not. found) exit end if CELL_TYPE @@ -314,15 +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 @@ -337,7 +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 @@ -348,15 +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) @@ -383,8 +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 @@ -394,8 +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 @@ -405,8 +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 @@ -417,9 +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 @@ -431,9 +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) @@ -445,9 +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) @@ -459,9 +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) @@ -477,28 +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 @@ -532,8 +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 @@ -542,9 +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 @@ -568,52 +562,46 @@ contains type(Particle), intent(inout) :: p 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 - type(LocalCoord), pointer :: parent_coord - lat => lattices(p % coord % lattice) % obj + 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 - ! Find the coordiante level just above the current one. - parent_coord => p % coord0 - do while(.not. associated(parent_coord % next, p % coord)) - parent_coord => parent_coord % next - end do - ! Set the lattice indices. - p % coord % lattice_x = p % coord % lattice_x + lattice_translation(1) - p % coord % lattice_y = p % coord % lattice_y + lattice_translation(2) - p % coord % lattice_z = p % coord % lattice_z + lattice_translation(3) - i_xyz(1) = p % coord % lattice_x - i_xyz(2) = p % coord % lattice_y - i_xyz(3) = p % coord % lattice_z + 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 ! Set the new coordinate position. - p % coord % xyz = lat % get_local_xyz(parent_coord % xyz, i_xyz) + p % coord(j) % xyz = lat % get_local_xyz(p % coord(j - 1) % xyz, i_xyz) OUTSIDE_LAT: if (.not. lat % are_valid_indices(i_xyz)) then - ! The particle is outside the lattice. Search for it from coord0. - call deallocate_coord(p % coord0 % next) - p % coord => p % coord0 + ! 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 OUTSIDE_LAT ! Find cell in next lattice element - p % coord % universe = lat % universes(i_xyz(1), i_xyz(2), i_xyz(3)) + p % coord(j) % universe = lat % universes(i_xyz(1), i_xyz(2), i_xyz(3)) call find_cell(p, found) if (.not. found) then @@ -622,15 +610,14 @@ contains ! 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 @@ -644,14 +631,17 @@ 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_translation) + 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_translation(3) + integer, intent(out) :: next_level 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 @@ -675,30 +665,25 @@ contains type(Cell), pointer :: cl type(Surface), pointer :: surf class(Lattice), pointer :: lat - type(LocalCoord), pointer :: coord - type(LocalCoord), pointer :: final_coord - type(LocalCoord), pointer :: parent_coord ! inialize distance to infinity (huge) dist = INFINITY d_lat = INFINITY d_surf = INFINITY lattice_translation(:) = [0, 0, 0] - nullify(final_coord) - ! 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 @@ -706,9 +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 @@ -1129,20 +1114,20 @@ contains ! ======================================================================= ! FIND MINIMUM DISTANCE TO LATTICE SURFACES - LAT_COORD: if (coord % lattice /= NONE) then - lat => lattices(coord % lattice) % obj + 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 % pitch(1) * 0.5_8, u) - y0 = sign(lat % pitch(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 @@ -1179,7 +1164,7 @@ contains end if if (lat % is_3d) then - z0 = sign(lat % pitch(3) * 0.5_8, w) + z0 = sign(lat % pitch(3) * HALF, w) ! top and bottom sides if (abs(z - z0) < FP_PRECISION) then @@ -1202,18 +1187,14 @@ contains type is (HexLattice) LAT_TYPE ! Copy local coordinates. - z = coord % xyz(3) - i_xyz(1) = coord % lattice_x - i_xyz(2) = coord % lattice_y - i_xyz(3) = coord % lattice_z - parent_coord => p % coord0 - do while(.not. associated(parent_coord % next, coord)) - parent_coord => parent_coord % next - end do + 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(3.0_8)/2.0_8 + v/2.0_8 - gama_dir = u*sqrt(3.0_8)/2.0_8 - v/2.0_8 + 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 @@ -1223,13 +1204,13 @@ contains ! of hex lattices. ! Upper right and lower left sides. - edge = -sign(lat % pitch(1)/2.0_8, beta_dir) ! Oncoming edge - if (beta_dir > 0.0) then - xyz_t = lat % get_local_xyz(parent_coord % xyz, i_xyz+[1, 0, 0]) + 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(parent_coord % xyz, i_xyz+[-1, 0, 0]) + xyz_t = lat % get_local_xyz(p % coord(j - 1) % xyz, i_xyz+[-1, 0, 0]) end if - beta = xyz_t(1)*sqrt(3.0_8)/2.0_8 + xyz_t(2)/2.0_8 + 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 @@ -1246,13 +1227,13 @@ contains end if ! Lower right and upper left sides. - edge = -sign(lat % pitch(1)/2.0_8, gama_dir) ! Oncoming edge - if (gama_dir > 0.0) then - xyz_t = lat % get_local_xyz(parent_coord % xyz, i_xyz+[1, -1, 0]) + 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(parent_coord % xyz, i_xyz+[-1, 1, 0]) + xyz_t = lat % get_local_xyz(p % coord(j - 1) % xyz, i_xyz+[-1, 1, 0]) end if - gama = xyz_t(1)*sqrt(3.0_8)/2.0_8 - xyz_t(2)/2.0_8 + 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 @@ -1271,11 +1252,11 @@ contains end if ! Upper and lower sides. - edge = -sign(lat % pitch(1)/2.0_8, v) ! Oncoming edge - if (v > 0.0) then - xyz_t = lat % get_local_xyz(parent_coord % xyz, i_xyz+[0, 1, 0]) + 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(parent_coord % xyz, i_xyz+[0, -1, 0]) + 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 @@ -1296,7 +1277,7 @@ contains ! Top and bottom sides. if (lat % is_3d) then - z0 = sign(lat % pitch(2) * 0.5_8, w) + z0 = sign(lat % pitch(2) * HALF, w) if (abs(z - z0) < FP_PRECISION) then d = INFINITY @@ -1317,10 +1298,10 @@ contains end if end select LAT_TYPE - if (d_lat < 0.0) then + 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))) + //" had a negative distance to a lattice boundary. d = " & + //trim(to_str(d_lat))) end if end if LAT_COORD @@ -1333,24 +1314,19 @@ contains dist = d_surf surface_crossed = level_surf_cross lattice_translation(:) = [0, 0, 0] - final_coord => coord + 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 - final_coord => coord + 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 !=============================================================================== @@ -1365,6 +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 @@ -1374,9 +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) @@ -1468,7 +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. @@ -1591,8 +1569,8 @@ contains subroutine calc_offsets(goal, map, univ, counts, found) - integer, intent(inout) :: goal ! target universe ID - integer, intent(inout) :: map ! map index in vector of maps + 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 @@ -1692,11 +1670,11 @@ contains recursive function count_target(univ, counts, found, goal, map) result(count) - type(Universe), intent(inout) :: univ ! universe to search through - integer, intent(inout) :: counts(:,:) ! target count - logical, intent(inout) :: found(:,:) ! target found - integer, intent(inout) :: goal ! target universe ID - integer, intent(inout) :: map ! current map + 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 @@ -1907,5 +1885,82 @@ contains 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 9e1f1d06c..9a5778c17 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 !=============================================================================== @@ -29,7 +31,7 @@ module geometry_header 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 @@ -121,7 +123,7 @@ module geometry_header character(len=52) :: name = "" ! User-defined name integer :: type ! Type of surface real(8), allocatable :: coeffs(:) ! Definition of surface - integer, allocatable :: & + integer, allocatable :: & neighbor_pos(:), & ! List of cells on positive side neighbor_neg(:) ! List of cells on negative side integer :: bc ! Boundary condition @@ -141,7 +143,7 @@ module geometry_header 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 :: & + integer, allocatable :: & & surfaces(:) ! List of surfaces bounding cell -- note that ! parentheses, union, etc operators will be listed ! here too @@ -189,7 +191,7 @@ contains real(8), intent(in) :: global_xyz(3) integer :: i_xyz(3) - real(8) :: xyz(3) ! global_xyz alias + real(8) :: xyz(3) ! global_xyz alias xyz = global_xyz @@ -209,7 +211,7 @@ contains real(8), intent(in) :: global_xyz(3) integer :: i_xyz(3) - real(8) :: xyz(3) ! global_xyz alias + 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 @@ -220,16 +222,16 @@ contains ! Index z direction. if (this % is_3d) then - i_xyz(3) = ceiling((xyz(3) - this % center(3))/this % pitch(2) + 0.5_8)& - &+ this % n_axial/2 + 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(3.0_8) - i_xyz(1) = floor(xyz(1) / (sqrt(3.0_8) / 2.0_8 * this % pitch(1))) + 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 @@ -279,12 +281,12 @@ contains xyz = global_xyz local_xyz(1) = xyz(1) - (this % lower_left(1) + & - &(i_xyz(1) - 0.5_8)*this % pitch(1)) + (i_xyz(1) - HALF)*this % pitch(1)) local_xyz(2) = xyz(2) - (this % lower_left(2) + & - &(i_xyz(2) - 0.5_8)*this % pitch(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) - 0.5_8)*this % pitch(3)) + (i_xyz(3) - HALF)*this % pitch(3)) else local_xyz(3) = xyz(3) end if @@ -304,14 +306,14 @@ contains ! x_l = x_g - (center + pitch_x*cos(30)*index_x) local_xyz(1) = xyz(1) - (this % center(1) + & - &sqrt(3.0_8) / 2.0_8 * (i_xyz(1) - this % n_rings) * this % pitch(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) / 2.0_8) + (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) + + (this % n_axial/2 - i_xyz(3) + 1) * this % pitch(2) else local_xyz(3) = xyz(3) end if diff --git a/src/global.F90 b/src/global.F90 index 2ec111dc0..f7d9f184e 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -19,6 +19,9 @@ module global #ifdef HDF5 use hdf5_interface, only: HID_T #endif +#ifdef MPIF08 + use mpi_f08 +#endif implicit none save @@ -112,11 +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(:) @@ -212,8 +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 @@ -243,8 +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 diff --git a/src/hdf5_interface.F90 b/src/hdf5_interface.F90 index 2252c3e76..c3e5b44ba 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 diff --git a/src/initialize.F90 b/src/initialize.F90 index 4c3cc8147..99a66e2ce 100644 --- a/src/initialize.F90 +++ b/src/initialize.F90 @@ -7,7 +7,8 @@ module initialize 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, count_instance, calc_offsets + use geometry, only: neighbor_lists, count_instance, calc_offsets, & + maximum_levels use geometry_header, only: Cell, Universe, Lattice, RectLattice, HexLattice,& &BASE_UNIVERSE use global @@ -26,7 +27,7 @@ module initialize use tally_initialize, only: configure_tallies #ifdef MPI - use mpi + use message_passing #endif #ifdef _OPENMP @@ -95,11 +96,20 @@ contains ! 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 @@ -185,11 +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 @@ -936,7 +952,7 @@ contains count_all = .false. - ! Loop over tallies + ! Loop over tallies do i = 1, n_tallies ! Get pointer to tally @@ -954,25 +970,25 @@ contains 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 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 + ! Loop over tallies + do i = 1, n_tallies ! Get pointer to tally - tally => tallies(i) + tally => tallies(i) ! Initialize the filters do j = 1, tally % n_filters @@ -993,7 +1009,7 @@ contains ! Calculate offsets for each target distribcell do i = 1, n_maps - do j = 1, n_universes + do j = 1, n_universes univ => universes(j) call calc_offsets(univ_list(i), i, univ, counts, found) end do @@ -1003,7 +1019,7 @@ contains deallocate(counts) deallocate(found) deallocate(univ_list) - + end subroutine prepare_distribcell !=============================================================================== @@ -1018,31 +1034,31 @@ contains logical, intent(out), allocatable :: found(:,:) ! Target found integer :: i, j, k, l, m ! Loop counters - type(SetInt) :: cell_list ! distribells to track + 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) + 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 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 @@ -1053,7 +1069,7 @@ contains end if end do end do - + ! Allocate the list of offset tables for each unique universe allocate(univ_list(n_maps)) @@ -1071,34 +1087,34 @@ contains univ => universes(i) do j = 1, univ % n_cells - + if (cell_list % contains(univ % cells(j))) then - - ! Loop over all tallies + + ! 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 % type == FILTER_DISTRIBCELL) then if (filter % int_bins(1) == univ % cells(j)) then filter % offset = k end if end if end do - end do - + end do + univ_list(k) = univ % id k = k + 1 end if end do end do - - ! Allocate the offset tables for lattices + + ! Allocate the offset tables for lattices do i = 1, n_lattices lat => lattices(i) % obj diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 7d559834a..07ecd01c2 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -1797,11 +1797,11 @@ 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))) diff --git a/src/math.F90 b/src/math.F90 index b3046ccc4..58406bda1 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) @@ -199,37 +199,37 @@ 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) * & + 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) * & + 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) @@ -245,7 +245,7 @@ contains rn(7) = 0.074535599249993_8 * (w2m1)*((105.0_8/TWO)*w**2 - 15.0_8/TWO) * & 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) @@ -254,8 +254,8 @@ 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) @@ -271,8 +271,8 @@ contains rn(8) = 0.0487950036474267_8 * (w2m1)* & ((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 @@ -286,8 +286,8 @@ contains rn(3) = 0.00104990131391452_8 * (w2m1)**2 * & ((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) @@ -303,8 +303,8 @@ contains 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) ! 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) @@ -324,9 +324,9 @@ contains rn(4) = 0.000548293079133141_8 * (w2m1)**2* & ((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)* & + 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(3.0_8*phi) + 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)* & @@ -346,9 +346,9 @@ contains ((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)* & + 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(3.0_8*phi) + 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) @@ -374,8 +374,8 @@ contains 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) ! 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 + & @@ -396,9 +396,9 @@ contains 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)* & + 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(3.0_8*phi) + (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) @@ -431,9 +431,9 @@ contains 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) ! l = 9, m = -3 - rn(7) = 0.00173385495536766_8 * (w2m1)**(3.0_8/TWO)* & + 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(3.0_8*phi) + (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)* & @@ -452,9 +452,9 @@ contains 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 - & + 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(3.0_8*phi) + 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) @@ -494,9 +494,9 @@ contains 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)* & + 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(3.0_8*phi) + (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 - & @@ -517,9 +517,9 @@ contains 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)* & + 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(3.0_8*phi) + (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 - & diff --git a/src/mesh.F90 b/src/mesh.F90 index 491b3407f..b9d85f439 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 000000000..75d0bd301 --- /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 30093adec..cae01a68e 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 @@ -118,7 +125,7 @@ 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 @@ -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 @@ -330,7 +337,7 @@ 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 @@ -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 009e5f7e2..49908fed6 100644 --- a/src/output.F90 +++ b/src/output.F90 @@ -258,7 +258,6 @@ contains type(Surface), pointer :: s => null() type(Universe), pointer :: u => null() class(Lattice), pointer :: l => null() - type(LocalCoord), pointer :: coord => null() ! display type of particle select case (p % type) @@ -273,39 +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) % obj + 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 @@ -2181,9 +2175,9 @@ contains end select end function get_label - + !=============================================================================== -! FIND_OFFSET uses a given map number, a target cell ID, and a target offset +! 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 !=============================================================================== @@ -2196,7 +2190,7 @@ contains 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 @@ -2212,7 +2206,7 @@ contains 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) @@ -2223,31 +2217,31 @@ contains ! Look through all cells in this universe do i = 1, n - cell_index = univ % cells(i) + 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) + cell_index = univ % cells(i) c => cells(cell_index) - this_cell = .false. + 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 + ! 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 @@ -2260,8 +2254,8 @@ contains cycle end if - ! Break loop once we've found the next cell with an offset - exit + ! 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 @@ -2278,13 +2272,13 @@ contains else lat => lattices(c % fill) % obj temp_offset = lat % offset(map, 1, 1, 1) - end if + 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 end if @@ -2341,7 +2335,7 @@ contains ! Loop over lattice coordinates do k = 1, n_x do l = 1, n_y - do m = 1, n_z + 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 @@ -2364,14 +2358,14 @@ contains ! 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)) + 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 @@ -2404,10 +2398,24 @@ contains end if if (final >= lat % offset(map, k, l, m) + offset) then - old_m = m - old_l = l - old_k = k - cycle + 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) @@ -2429,7 +2437,7 @@ contains end if end if - end do + end do end subroutine find_offset end module output diff --git a/src/output_interface.F90 b/src/output_interface.F90 index 816ff2575..9a4341135 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 @@ -22,8 +23,13 @@ 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 generic, public :: write_data => write_double, & @@ -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", & @@ -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 @@ -203,7 +209,7 @@ contains if (self % serial) then close(UNIT=self % unit_fh) else - call mpi_close_file(self % unit_fh) + call mpi_close_file(self % mpi_fh) end if #else close(UNIT=self % unit_fh) @@ -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) @@ -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)) @@ -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 @@ -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 bf03c5635..7c2586c3e 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 this coord - 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 6ff5d63c2..0ed25fdc8 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 fa40d1e52..0ac55bd27 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 +!$omp end critical (WriteParticleRestart) end subroutine write_particle_restart diff --git a/src/physics.F90 b/src/physics.F90 index 35cd00de5..de1a1ff41 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -37,7 +37,7 @@ contains ! Store pre-collision particle properties p % last_wgt = p % wgt p % last_E = p % E - p % last_uvw = p % coord0 % uvw + p % last_uvw = p % coord(1) % uvw ! Add to collision counter for particle p % n_collision = p % n_collision + 1 @@ -143,7 +143,7 @@ contains case ('total') cutoff = prn() * material_xs % total case ('scatter') - cutoff = prn() * material_xs % total - material_xs % absorption + cutoff = prn() * (material_xs % total - material_xs % absorption) case ('fission') cutoff = prn() * material_xs % fission end select @@ -254,19 +254,19 @@ contains p % last_wgt = p % wgt ! Score implicit absorption estimate of keff -!$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 @@ -335,7 +335,7 @@ contains ! 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, & materials(p % material) % p0(i_nuc_mat)) else @@ -344,7 +344,7 @@ 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, & materials(p % material) % p0(i_nuc_mat)) end if @@ -387,7 +387,7 @@ 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, materials(p % material) % p0(i_nuc_mat)) p % event_MT = rxn % MT @@ -620,13 +620,13 @@ 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 @@ -852,8 +852,8 @@ 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 @@ -906,8 +906,8 @@ 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 @@ -1108,7 +1108,7 @@ 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!") @@ -1146,7 +1146,7 @@ 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 diff --git a/src/plot.F90 b/src/plot.F90 index d9f6b55e2..c6341e3a9 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 @@ -259,24 +251,24 @@ contains ! 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 - + ! 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/source.F90 b/src/source.F90 index 4f931dc90..7cfdcf655 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) @@ -306,8 +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 b209d1707..0ba093176 100644 --- a/src/state_point.F90 +++ b/src/state_point.F90 @@ -23,7 +23,7 @@ module state_point use dict_header, only: ElemKeyValueII, ElemKeyValueCI #ifdef MPI - use mpi + use message_passing #endif implicit none diff --git a/src/tally.F90 b/src/tally.F90 index a4fbe01cf..e78e58f28 100644 --- a/src/tally.F90 +++ b/src/tally.F90 @@ -11,13 +11,13 @@ module tally mesh_intersects_2d, mesh_intersects_3d use mesh_header, only: StructuredMesh use output, only: header - use particle_header, only: LocalCoord, Particle, deallocate_coord + use particle_header, only: LocalCoord, Particle use search, only: binary_search use string, only: to_str use tally_header, only: TallyResult, TallyMapItem, TallyMapElement #ifdef MPI - use mpi + use message_passing #endif implicit none @@ -140,7 +140,7 @@ contains end if - case (SCORE_SCATTER_PN, SCORE_SCATTER_YN) + case (SCORE_SCATTER_PN) ! Only analog estimators are available. ! Skip any event where the particle didn't scatter if (p % event /= EVENT_SCATTER) then @@ -153,6 +153,19 @@ contains 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 @@ -163,7 +176,7 @@ contains score = p % wgt - case (SCORE_NU_SCATTER_PN, SCORE_NU_SCATTER_YN) + 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 @@ -176,6 +189,19 @@ contains 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 @@ -444,13 +470,13 @@ contains num_nm = 2 * n + 1 ! multiply score by the angular flux moments and store -!$omp critical +!$omp critical (score_general_scatt_yn) t % results(score_index: score_index + num_nm - 1, filter_index) & % value = t & % results(score_index: score_index + num_nm - 1, filter_index)& % value & + score * calc_pn(n, p % mu) * calc_rn(n, p % last_uvw) -!$omp end critical +!$omp end critical (score_general_scatt_yn) end do i = i + (t % moment_order(i) + 1)**2 - 1 @@ -461,7 +487,7 @@ contains if (t % estimator == ESTIMATOR_ANALOG) then uvw = p % last_uvw else if (t % estimator == ESTIMATOR_TRACKLENGTH) then - uvw = p % coord0 % uvw + uvw = p % coord(1) % uvw end if ! Find the order for a collection of requested moments ! and store the moment contribution of each @@ -472,13 +498,13 @@ contains num_nm = 2 * n + 1 ! multiply score by the angular flux moments and store -!$omp critical +!$omp critical (score_general_flux_tot_yn) t % results(score_index: score_index + num_nm - 1, filter_index) & % value = t & % results(score_index: score_index + num_nm - 1, filter_index)& % value & + score * calc_rn(n, uvw) -!$omp end critical +!$omp end critical (score_general_flux_tot_yn) end do i = i + (t % moment_order(i) + 1)**2 - 1 @@ -883,7 +909,6 @@ contains type(TallyObject), pointer :: t type(StructuredMesh), pointer :: m type(Material), pointer :: mat - type(LocalCoord), pointer :: coord t => tallies(i_tally) matching_bins(1:t%n_filters) = 1 @@ -892,8 +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) @@ -914,8 +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 @@ -927,7 +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, & @@ -935,15 +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 @@ -983,7 +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 @@ -1109,12 +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 :: t type(StructuredMesh), pointer :: m - type(LocalCoord), pointer :: coord found_bin = .true. t => tallies(i_tally) @@ -1128,13 +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 @@ -1144,37 +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 - coord => p % coord0 offset = 0 - do while(associated(coord)) - if (cells(coord % cell) % type == CELL_FILL) then - offset = offset + cells(coord % cell) % & + 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(coord % cell) % type == CELL_LATTICE) then - offset = offset + lattices(coord % next % lattice) % obj % & - offset(t % filters(i) % offset, coord % next % lattice_x, & - coord % next % lattice_y, coord % next % lattice_z) + 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) == coord % cell) then + if (t % filters(i) % int_bins(1) == p % coord(j) % cell) then matching_bins(i) = offset + 1 exit end if - coord => coord % next end do - nullify(coord) case (FILTER_CELLBORN) ! determine next cellborn bin @@ -1270,7 +1294,7 @@ contains 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) @@ -1302,7 +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) diff --git a/src/track_output.F90 b/src/track_output.F90 index 81faaa567..fba699e8e 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 !=============================================================================== @@ -69,12 +69,12 @@ contains // '_' // trim(to_str(current_gen)) // '_' // trim(to_str(p % id)) & // '.binary' #endif -!$omp critical +!$omp critical (FinalizeParticleTrack) call binout % file_create(fname) length = [3, n_tracks] call binout % write_data(coords, 'coordinates', length=length) call binout % file_close() -!$omp end critical +!$omp end critical (FinalizeParticleTrack) deallocate(coords) end subroutine finalize_particle_track diff --git a/src/tracking.F90 b/src/tracking.F90 index c14d85b5d..e5faeb209 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, & @@ -28,6 +29,8 @@ contains type(Particle), intent(inout) :: p + 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 @@ -36,7 +39,6 @@ contains 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 :: coord ! Display message if high verbosity or trace is on if (verbosity >= 9 .or. trace) then @@ -45,7 +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 @@ -54,7 +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 +89,7 @@ contains ! Find the distance to the nearest boundary call distance_to_boundary(p, d_boundary, surface_crossed, & - &lattice_translation) + 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 @@ -111,17 +111,18 @@ 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 (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 @@ -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_matrix, 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 index d5efe96d5..6909598db 100644 --- a/src/trigger.F90 +++ b/src/trigger.F90 @@ -1,9 +1,10 @@ module trigger #ifdef MPI - use mpi + use message_passing #endif + use constants use global use string, only: to_str use output, only: warning, write_message @@ -30,7 +31,7 @@ contains 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. & @@ -39,24 +40,24 @@ contains ! Check the trigger and output the result call check_tally_triggers(max_ratio, tally_id, name) - ! When trigger threshold is reached, write information + ! 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 " // & + 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 + 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 @@ -65,9 +66,9 @@ contains 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 + if (n_pred_batches > n_max_batches) then call warning("The estimated number of batches is " // & - trim(to_str(n_pred_batches)) // & + trim(to_str(n_pred_batches)) // & " -- greater than max batches. ") else call write_message("The estimated number of batches is " // & @@ -98,8 +99,8 @@ contains 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 = 0.0 ! trigger standard deviation - real(8) :: rel_err = 0.0 ! trigger relative error + 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 @@ -115,8 +116,8 @@ contains ! Check eigenvalue trigger if (run_mode == MODE_EIGENVALUE) then if (keff_trigger % trigger_type /= 0) then - select case (keff_trigger % trigger_type) - case(VARIANCE) + select case (keff_trigger % trigger_type) + case(VARIANCE) uncertainty = k_combined(2) ** 2 case(STANDARD_DEVIATION) uncertainty = k_combined(2) @@ -124,7 +125,7 @@ contains uncertainty = k_combined(2) / k_combined(1) end select - ! If uncertainty is above threshold, store uncertainty ratio + ! If uncertainty is above threshold, store uncertainty ratio if (uncertainty > keff_trigger % threshold) then satisfy_triggers = .false. if (keff_trigger % trigger_type == VARIANCE) then @@ -133,11 +134,11 @@ contains ratio = uncertainty / keff_trigger % threshold end if if (max_ratio < ratio) then - max_ratio = ratio + max_ratio = ratio name = "eigenvalue" - end if - end if - end if + end if + end if + end if end if ! Compute uncertainties for all tallies, scores with triggers @@ -153,10 +154,10 @@ contains trigger => t % triggers(s) ! Initialize trigger uncertainties to zero - trigger % std_dev = 0. - trigger % rel_err = 0. - trigger % variance = 0. - + 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) @@ -178,9 +179,9 @@ contains j = j - 1 else if (j == t % n_filters) exit find_bin - end if + 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 @@ -193,13 +194,13 @@ contains ! 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 @@ -207,17 +208,17 @@ contains score_index, filter_index, t) if (trigger % variance < variance) then - trigger % variance = std_dev ** 2 + trigger % variance = std_dev ** 2 end if - if (trigger % std_dev < std_dev) then + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + 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) @@ -242,32 +243,32 @@ contains 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 + trigger % variance = std_dev ** 2 end if - if (trigger % std_dev < std_dev) then + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if end select - - select case (t % triggers(s) % type) - case(VARIANCE) + + 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. @@ -275,8 +276,8 @@ contains ratio = sqrt(uncertainty / t % triggers(s) % threshold) else ratio = uncertainty / t % triggers(s) % threshold - end if - + end if + if (max_ratio < ratio) then max_ratio = ratio name = t % triggers(s) % score_name @@ -297,7 +298,7 @@ contains ! 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 @@ -310,8 +311,8 @@ contains 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 = 0.0 ! temporary relative error of result - real(8) :: std_dev = 0.0 ! temporary standard deviration of result + 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 @@ -350,10 +351,10 @@ contains 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if trigger % variance = std_dev**2 @@ -362,10 +363,10 @@ contains 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if trigger % variance = trigger % std_dev**2 @@ -377,22 +378,22 @@ contains 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if trigger % variance = trigger % std_dev**2 @@ -404,10 +405,10 @@ contains 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if trigger % variance = trigger % std_dev**2 @@ -417,10 +418,10 @@ contains 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if trigger % variance = trigger % std_dev**2 @@ -432,10 +433,10 @@ contains 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if trigger % variance = trigger % std_dev**2 @@ -444,10 +445,10 @@ contains 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if trigger % variance = trigger % std_dev**2 @@ -459,10 +460,10 @@ contains 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if trigger % variance = trigger % std_dev**2 @@ -471,10 +472,10 @@ contains 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if trigger % variance = trigger % std_dev**2 @@ -486,10 +487,10 @@ contains 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if trigger % variance = trigger % std_dev**2 @@ -498,10 +499,10 @@ contains 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 + if (trigger % std_dev < std_dev) then trigger % std_dev = std_dev end if - if (trigger % rel_err < rel_err) then + if (trigger % rel_err < rel_err) then trigger % rel_err = rel_err end if trigger % variance = trigger % std_dev**2 @@ -539,11 +540,11 @@ contains std_dev = sqrt((tally_result % sum_sq / n - mean * mean) / (n - 1)) ! Compute the relative error if the mean is non-zero - if (mean == 0.) then - rel_err = 0. + if (mean == ZERO) then + rel_err = ZERO else rel_err = std_dev / mean - end if + end if end subroutine get_trigger_uncertainty diff --git a/tests/test_basic/results.py b/tests/test_basic/results.py deleted file mode 100644 index 03f3e4b43..000000000 --- a/tests/test_basic/results.py +++ /dev/null @@ -1,24 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 --- a/tests/test_basic/test_basic.py +++ b/tests/test_basic/test_basic.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_cmfd_feed/results.py deleted file mode 100644 index fe38537b3..000000000 --- a/tests/test_cmfd_feed/results.py +++ /dev/null @@ -1,92 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -import openmc -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.20.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp.get_tally(scores=['flux'], filters=[openmc.Filter('mesh', [1])], \ - estimator='tracklength') -tally2 = sp.get_tally(scores=['flux'], filters=[openmc.Filter('mesh', [2])], \ - estimator='analog') -tally3 = sp.get_tally(scores=['nu-fission'], \ - filters=[openmc.Filter('mesh', [2])], estimator='analog') -tally4 = sp.get_tally(scores=['current'], filters=[openmc.Filter('mesh', [2]), \ - openmc.Filter('surface', [1,2,3,4,5,6])], \ - estimator='analog') - -results1 = np.zeros((tally1.sum.size + tally1.sum.size, )) -results1[0::2] = tally1.sum.ravel() -results1[1::2] = tally1.sum_sq.ravel() - -results2 = np.zeros((tally2.sum.size + tally2.sum.size, )) -results2[0::2] = tally2.sum.ravel() -results2[1::2] = tally2.sum_sq.ravel() - -results3 = np.zeros((tally3.sum.size + tally3.sum.size, )) -results3[0::2] = tally3.sum.ravel() -results3[1::2] = tally3.sum_sq.ravel() - -results4 = np.zeros((tally4.sum.size + tally4.sum.size, )) -results4[0::2] = tally4.sum.ravel() -results4[1::2] = tally4.sum_sq.ravel() - -# 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 95dec91dd..a1dd0d815 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 0a51dd6f8..a3d2f3031 100644 --- a/tests/test_cmfd_feed/test_cmfd_feed.py +++ b/tests/test_cmfd_feed/test_cmfd_feed.py @@ -1,68 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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_nofeed/results.py b/tests/test_cmfd_nofeed/results.py deleted file mode 100644 index 0ba4d2c98..000000000 --- a/tests/test_cmfd_nofeed/results.py +++ /dev/null @@ -1,92 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -import openmc -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.20.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp.get_tally(scores=['flux'], filters=[openmc.Filter('mesh', [1])], \ - estimator='tracklength') -tally2 = sp.get_tally(scores=['flux'], filters=[openmc.Filter('mesh', [2])], \ - estimator='analog') -tally3 = sp.get_tally(scores=['nu-fission'], \ - filters=[openmc.Filter('mesh', [2])], estimator='analog') -tally4 = sp.get_tally(scores=['current'], filters=[openmc.Filter('mesh', [2]), \ - openmc.Filter('surface', [1,2,3,4,5,6])], \ - estimator='analog') - -results1 = np.zeros((tally1.sum.size + tally1.sum.size, )) -results1[0::2] = tally1.sum.ravel() -results1[1::2] = tally1.sum_sq.ravel() - -results2 = np.zeros((tally2.sum.size + tally2.sum.size, )) -results2[0::2] = tally2.sum.ravel() -results2[1::2] = tally2.sum_sq.ravel() - -results3 = np.zeros((tally3.sum.size + tally3.sum.size, )) -results3[0::2] = tally3.sum.ravel() -results3[1::2] = tally3.sum_sq.ravel() - -results4 = np.zeros((tally4.sum.size + tally4.sum.size, )) -results4[0::2] = tally4.sum.ravel() -results4[1::2] = tally4.sum_sq.ravel() - -# 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 761a4749d..da9b802e7 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 3a1b233ff..a3d2f3031 100644 --- a/tests/test_cmfd_nofeed/test_cmfd_nofeed.py +++ b/tests/test_cmfd_nofeed/test_cmfd_nofeed.py @@ -1,69 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 3f215b287..000000000 --- a/tests/test_confidence_intervals/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 8468614db..fb13bdad2 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 5c61e70d2..1777db993 --- a/tests/test_confidence_intervals/test_confidence_intervals.py +++ b/tests/test_confidence_intervals/test_confidence_intervals.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_density_atombcm/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_density_atombcm/test_density_atombcm.py +++ b/tests/test_density_atombcm/test_density_atombcm.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_density_atomcm3/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 718d2bc9f..3feb35ba1 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 571f31199..6633e5911 100644 --- a/tests/test_density_atomcm3/test_density_atomcm3.py +++ b/tests/test_density_atomcm3/test_density_atomcm3.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_density_kgm3/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 4fbd4e4eb..c5942e1a2 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 ab227e2ba..6633e5911 100644 --- a/tests/test_density_kgm3/test_density_kgm3.py +++ b/tests/test_density_kgm3/test_density_kgm3.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_density_sum/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 6363a2374..6633e5911 100644 --- a/tests/test_density_sum/test_density_sum.py +++ b/tests/test_density_sum/test_density_sum.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 a84a6f652..000000000 --- a/tests/test_eigenvalue_genperbatch/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 2898e8bbc..22752c189 100644 --- a/tests/test_eigenvalue_genperbatch/test_eigenvalue_genperbatch.py +++ b/tests/test_eigenvalue_genperbatch/test_eigenvalue_genperbatch.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_eigenvalue_no_inactive/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_eigenvalue_no_inactive/test_eigenvalue_no_inactive.py +++ b/tests/test_eigenvalue_no_inactive/test_eigenvalue_no_inactive.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_energy_grid/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_energy_grid/test_energy_grid.py +++ b/tests/test_energy_grid/test_energy_grid.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 e0d0d97c5..000000000 --- a/tests/test_entropy/results.py +++ /dev/null @@ -1,31 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 cc153c832..4657101ad 100644 --- a/tests/test_entropy/test_entropy.py +++ b/tests/test_entropy/test_entropy.py @@ -1,61 +1,31 @@ #!/usr/bin/env python -import os import sys -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() +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([sys.executable, '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/results.py b/tests/test_filter_cell/results.py deleted file mode 100644 index e8ee1d2d5..000000000 --- a/tests/test_filter_cell/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.empty((tally._sum.size + tally._sum.size, ), dtype=np.float64) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 0a1924c5d..0838e7bae 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 0130cd7a0..1777db993 100644 --- a/tests/test_filter_cell/test_filter_cell.py +++ b/tests/test_filter_cell/test_filter_cell.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_filter_cellborn/results.py deleted file mode 100644 index e8ee1d2d5..000000000 --- a/tests/test_filter_cellborn/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.empty((tally._sum.size + tally._sum.size, ), dtype=np.float64) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 ad682dab5..d2fa7f700 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 76b1b433e..1777db993 100644 --- a/tests/test_filter_cellborn/test_filter_cellborn.py +++ b/tests/test_filter_cellborn/test_filter_cellborn.py @@ -1,62 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 index ddbd23afe..507559615 100644 --- a/tests/test_filter_distribcell/case-1/geometry.xml +++ b/tests/test_filter_distribcell/case-1/geometry.xml @@ -4,21 +4,23 @@ + 2 2 -2.0 -2.0 2.0 2.0 + 3 2 2 2 2 - - - - + + + + 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 000000000..49bf3ed4e --- /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-2/results_true.dat b/tests/test_filter_distribcell/case-2/results_true.dat new file mode 100644 index 000000000..bb2f498cb --- /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-3/results_true.dat b/tests/test_filter_distribcell/case-3/results_true.dat new file mode 100644 index 000000000..f5f85d29f --- /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-4/geometry.xml b/tests/test_filter_distribcell/case-4/geometry.xml new file mode 100644 index 000000000..4c2a7fd5e --- /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 000000000..19678c2a1 --- /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 000000000..b8bd2b339 --- /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 000000000..90e48b9c1 --- /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 000000000..b46de5f4e --- /dev/null +++ b/tests/test_filter_distribcell/case-4/tallies.xml @@ -0,0 +1,7 @@ + + + + + total + + diff --git a/tests/test_filter_distribcell/results.py b/tests/test_filter_distribcell/results.py deleted file mode 100644 index 90a5572cf..000000000 --- a/tests/test_filter_distribcell/results.py +++ /dev/null @@ -1,95 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint -from openmc import Filter - -# read in statepoint file -sp3 = StatePoint(sys.argv[1]) -sp2 = StatePoint(sys.argv[2]) -sp1 = StatePoint(sys.argv[3]) -sp1.read_results() -sp2.read_results() -sp3.read_results() -sp1.compute_stdev() -sp2.compute_stdev() -sp3.compute_stdev() - -# analyze sp1 -# compare distrib sum to cell -sp1_t1 = sp1.tallies[1] -sp1_t2 = sp1.tallies[2] - -sp1_t1_d1 = sp1_t1.get_values(scores=['total'], filters=['distribcell'], - filter_bins=[(0,)], value='mean') -sp1_t1_d2 = sp1_t1.get_values(scores=['total'], filters=['distribcell'], - filter_bins=[(1,)], value='mean') -sp1_t1_d3 = sp1_t1.get_values(scores=['total'], filters=['distribcell'], - filter_bins=[(2,)], value='mean') -sp1_t1_d4 = sp1_t1.get_values(scores=['total'], filters=['distribcell'], - filter_bins=[(3,)], value='mean') -sp1_t1_sum = sp1_t1_d1 + sp1_t1_d2 + sp1_t1_d3 + sp1_t1_d4 - -cell_filter = sp1_t2.find_filter(filter_type='cell') -sp1_t2_c201 = sp1_t2.get_values(scores=['total'], value='mean') - - -# analyze sp2 -sp2_t1 = sp2.tallies[1] -sp2_t1_c201 = sp2_t1.get_values(scores=['total'], filters=['cell'], - filter_bins=[(2,)], value='mean') -sp2_t1_c203 = sp2_t1.get_values(scores=['total'], filters=['cell'], - filter_bins=[(4,)], value='mean') -sp2_t1_c205 = sp2_t1.get_values(scores=['total'], filters=['cell'], - filter_bins=[(6,)], value='mean') -sp2_t1_c207 = sp2_t1.get_values(scores=['total'], filters=['cell'], - filter_bins=[(8,)], value='mean') - - -# analyze sp3 -sp3_t1 = sp3.tallies[1] -sp3_t2 = sp3.tallies[2] -sp3_t3 = sp3.tallies[3] -sp3_t4 = sp3.tallies[4] -sp3_t5 = sp3.tallies[5] -sp3_t6 = sp3.tallies[6] - -sp3_t1_c1 = sp3_t1.get_values(scores=['total'], filters=['cell'], - filter_bins=[(1,)], value='mean') -sp3_t2_d1 = sp3_t2.get_values(scores=['total'], filters=['distribcell'], - filter_bins=[(0,)], value='mean') - -sp3_t3_c60 = sp3_t3.get_values(scores=['total'], filters=['cell'], - filter_bins=[(26,)], value='mean') -sp3_t4_d = sum(sp3_t4.get_values(scores=['total'], value='mean')) - -sp3_t5_c27 = sp3_t5.get_values(scores=['total'], filters=['cell'], - filter_bins=[(19,)], value='mean') -sp3_t6_d = sum(sp3_t6.get_values(scores=['total'], value='mean')) - -# set up output string -outstr = '' - -outstr += "{0:12.6E}\n".format(sp1_t1_sum) -outstr += "{0:12.6E}\n".format(sp1_t2_c201[()]) -outstr += "{0:12.6E}\n".format(sp2_t1_c201[()]) -outstr += "{0:12.6E}\n".format(sp1_t1_d4[()]) -outstr += "{0:12.6E}\n".format(sp2_t1_c203[()]) -outstr += "{0:12.6E}\n".format(sp1_t1_d1[()]) -outstr += "{0:12.6E}\n".format(sp2_t1_c205[()]) -outstr += "{0:12.6E}\n".format(sp1_t1_d3[()]) -outstr += "{0:12.6E}\n".format(sp2_t1_c207[()]) -outstr += "{0:12.6E}\n".format(sp1_t1_d2[()]) -outstr += "{0:12.6E}\n".format(sp3_t1_c1[()]) -outstr += "{0:12.6E}\n".format(sp3_t2_d1[()]) -outstr += "{0:12.6E}\n".format(sp3_t3_c60[()]) -outstr += "{0:12.6E}\n".format(sp3_t4_d) -outstr += "{0:12.6E}\n".format(sp3_t5_c27[()]) -outstr += "{0:12.6E}\n".format(sp3_t6_d) - -# write results to file -with open('results_test.dat','w') as fh: - fh.write(outstr) diff --git a/tests/test_filter_distribcell/results_true.dat b/tests/test_filter_distribcell/results_true.dat deleted file mode 100644 index dcece1a5c..000000000 --- a/tests/test_filter_distribcell/results_true.dat +++ /dev/null @@ -1,16 +0,0 @@ -3.296526E-02 -3.296526E-02 -7.326285E-03 -7.326285E-03 -8.565980E-03 -8.565980E-03 -9.027116E-03 -9.027116E-03 -8.045879E-03 -8.045879E-03 -1.820738E+01 -1.820738E+01 -1.770306E+01 -1.770306E+01 -2.109466E+00 -2.109466E+00 diff --git a/tests/test_filter_distribcell/test_filter_distribcell.py b/tests/test_filter_distribcell/test_filter_distribcell.py index d389bb5a6..492f03dae 100644 --- a/tests/test_filter_distribcell/test_filter_distribcell.py +++ b/tests/test_filter_distribcell/test_filter_distribcell.py @@ -1,109 +1,80 @@ #!/usr/bin/env python -import os +import hashlib import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser -from shutil import copyfile -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() +sys.path.insert(0, '..') +from testing_harness import * -def test_run(): - if opts.mpi_exec != '': - opts.mpi_exe = os.path.abspath(opts.mpi_exec) +class DistribcellTestHarness(TestHarness): + def __init__(self): + self._sp_name = None + self._tallies = True + self._opts = None + self._args = None - opts.exe = os.path.abspath(opts.exe) + 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] - # Call 1 - os.chdir('case-1') - cwd = os.getcwd() - 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 + 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() - # Call 2 - os.chdir('../case-2') - cwd = os.getcwd() - 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 + 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] - # Call 3 - os.chdir('../case-3') - cwd = os.getcwd() - 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 + 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() - os.chdir('..') + 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.' -def test_created_statepoint(): - cwd = os.getcwd() - statepoint1 = glob.glob(cwd + '/case-1/statepoint.1.*') - statepoint2 = glob.glob(cwd + '/case-2/statepoint.1.*') - statepoint3 = glob.glob(cwd + '/case-3/statepoint.3.*') - assert len(statepoint1) == 1 - assert len(statepoint2) == 1 - assert len(statepoint3) == 1 - string1 = statepoint1.pop() - string2 = statepoint2.pop() - string3 = statepoint3.pop() - assert string1.endswith('binary') or string1.endswith('h5') - assert string2.endswith('binary') or string2.endswith('h5') - assert string3.endswith('binary') or string3.endswith('h5') - -def test_results(): - cwd = os.getcwd() - statepoint = list() - statepoint.append(glob.glob(cwd + '/case-1/statepoint.1.*')) - statepoint.append(glob.glob(cwd + '/case-2/statepoint.1.*')) - statepoint.append(glob.glob(cwd + '/case-3/statepoint.3.*')) - call([sys.executable, 'results.py', statepoint.pop()[0], statepoint.pop()[0], statepoint.pop()[0]]) - compare = filecmp.cmp('results_test.dat', 'results_true.dat') - if not compare: - os.rename('results_test.dat', 'results_error.dat') - assert compare - -def teardown(): - cwd = os.getcwd() - output = glob.glob(cwd + '/statepoint.*') - output.append(cwd + '/results_test.dat') - for f in output: - if os.path.exists(str(f)): - os.remove(str(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 = DistribcellTestHarness() + harness.main() diff --git a/tests/test_filter_energy/results.py b/tests/test_filter_energy/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_filter_energy/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 81702c814..9e3ab7965 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 0130cd7a0..1777db993 100644 --- a/tests/test_filter_energy/test_filter_energy.py +++ b/tests/test_filter_energy/test_filter_energy.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_filter_energyout/results.py deleted file mode 100644 index 1574bbc25..000000000 --- a/tests/test_filter_energyout/results.py +++ /dev/null @@ -1,36 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 a0bef8779..fa0bfa646 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 0130cd7a0..1777db993 100644 --- a/tests/test_filter_energyout/test_filter_energyout.py +++ b/tests/test_filter_energyout/test_filter_energyout.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_filter_group_transfer/results.py deleted file mode 100644 index 1574bbc25..000000000 --- a/tests/test_filter_group_transfer/results.py +++ /dev/null @@ -1,36 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 d91e385fd..222255827 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 0130cd7a0..1777db993 100644 --- a/tests/test_filter_group_transfer/test_filter_group_transfer.py +++ b/tests/test_filter_group_transfer/test_filter_group_transfer.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_filter_material/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_filter_material/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 d10924cc1..3d15ea432 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 0130cd7a0..1777db993 100644 --- a/tests/test_filter_material/test_filter_material.py +++ b/tests/test_filter_material/test_filter_material.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_filter_mesh_2d/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_filter_mesh_2d/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 5e11bbaca..01aea5afe 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 0130cd7a0..1777db993 100644 --- a/tests/test_filter_mesh_2d/test_filter_mesh_2d.py +++ b/tests/test_filter_mesh_2d/test_filter_mesh_2d.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_filter_mesh_3d/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_filter_mesh_3d/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 cee9c2c49..a67c77c03 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 0130cd7a0..1777db993 100644 --- a/tests/test_filter_mesh_3d/test_filter_mesh_3d.py +++ b/tests/test_filter_mesh_3d/test_filter_mesh_3d.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_filter_universe/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_filter_universe/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 e840d6aac..c63da0083 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 0130cd7a0..1777db993 100644 --- a/tests/test_filter_universe/test_filter_universe.py +++ b/tests/test_filter_universe/test_filter_universe.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 80ae5515d..000000000 --- a/tests/test_fixed_source/results.py +++ /dev/null @@ -1,33 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 270879bd1..2ec2d00b8 100644 --- a/tests/test_fixed_source/results_true.dat +++ b/tests/test_fixed_source/results_true.dat @@ -1,3 +1,3 @@ -tallies: +tally 1: 4.483337E+02 2.017057E+04 diff --git a/tests/test_fixed_source/test_fixed_source.py b/tests/test_fixed_source/test_fixed_source.py index 0130cd7a0..1f4382c08 100644 --- a/tests/test_fixed_source/test_fixed_source.py +++ b/tests/test_fixed_source/test_fixed_source.py @@ -1,65 +1,36 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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.' + 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/results.py b/tests/test_infinite_cell/results.py deleted file mode 100644 index c70b1a6de..000000000 --- a/tests/test_infinite_cell/results.py +++ /dev/null @@ -1,24 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_infinite_cell/test_infinite_cell.py +++ b/tests/test_infinite_cell/test_infinite_cell.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_lattice/results.py deleted file mode 100644 index fc1b491c6..000000000 --- a/tests/test_lattice/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 4e02678c6..cf51dd5d7 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 ab227e2ba..6633e5911 100644 --- a/tests/test_lattice/test_lattice.py +++ b/tests/test_lattice/test_lattice.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_lattice_hex/results.py deleted file mode 100644 index 021609f24..000000000 --- a/tests/test_lattice_hex/results.py +++ /dev/null @@ -1,26 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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_hex/results_true.dat b/tests/test_lattice_hex/results_true.dat index e4e53357d..b88285ff2 100644 --- a/tests/test_lattice_hex/results_true.dat +++ b/tests/test_lattice_hex/results_true.dat @@ -1,2 +1,2 @@ k-combined: -2.831017E-01 2.269866E-02 +2.831014E-01 2.269849E-02 diff --git a/tests/test_lattice_hex/test_lattice_hex.py b/tests/test_lattice_hex/test_lattice_hex.py index ab227e2ba..6633e5911 100644 --- a/tests/test_lattice_hex/test_lattice_hex.py +++ b/tests/test_lattice_hex/test_lattice_hex.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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_mixed/results.py b/tests/test_lattice_mixed/results.py deleted file mode 100644 index 953e81046..000000000 --- a/tests/test_lattice_mixed/results.py +++ /dev/null @@ -1,26 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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_mixed/results_true.dat b/tests/test_lattice_mixed/results_true.dat index f3c94aec2..d23feb91f 100644 --- a/tests/test_lattice_mixed/results_true.dat +++ b/tests/test_lattice_mixed/results_true.dat @@ -1,2 +1,2 @@ k-combined: -9.670751E-01 1.903257E-02 +9.605085E-01 8.180822E-03 diff --git a/tests/test_lattice_mixed/test_lattice_mixed.py b/tests/test_lattice_mixed/test_lattice_mixed.py index ab227e2ba..6633e5911 100644 --- a/tests/test_lattice_mixed/test_lattice_mixed.py +++ b/tests/test_lattice_mixed/test_lattice_mixed.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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_multiple/results.py b/tests/test_lattice_multiple/results.py deleted file mode 100644 index fc1b491c6..000000000 --- a/tests/test_lattice_multiple/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_lattice_multiple/test_lattice_multiple.py +++ b/tests/test_lattice_multiple/test_lattice_multiple.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 000000000..b85dd04df --- /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 1 1 1 1 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_many_scores/materials.xml b/tests/test_many_scores/materials.xml new file mode 100644 index 000000000..9c0b74f3f --- /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 000000000..191122f13 --- /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 000000000..08dc0d2e1 --- /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 000000000..1832acf67 --- /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 000000000..66bfe3dfa --- /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 fc1b491c6..000000000 --- a/tests/test_natural_element/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_natural_element/test_natural_element.py +++ b/tests/test_natural_element/test_natural_element.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_output/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 03adf538e..1f51742ba 100644 --- a/tests/test_output/test_output.py +++ b/tests/test_output/test_output.py @@ -1,74 +1,35 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 adb0b3d7c..000000000 --- a/tests/test_particle_restart_eigval/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -import openmc.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 6c8016dd2..64123b2e0 100644 --- a/tests/test_particle_restart_eigval/test_particle_restart_eigval.py +++ b/tests/test_particle_restart_eigval/test_particle_restart_eigval.py @@ -1,69 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 1c01db35c..000000000 --- a/tests/test_particle_restart_fixed/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -import openmc.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 ee6cfad53..05dcf76a6 100644 --- a/tests/test_particle_restart_fixed/test_particle_restart_fixed.py +++ b/tests/test_particle_restart_fixed/test_particle_restart_fixed.py @@ -1,69 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 000000000..cea27e38e --- /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 233072400..49cdacb05 100644 --- a/tests/test_plot_background/test_plot_background.py +++ b/tests/test_plot_background/test_plot_background.py @@ -1,45 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE -from optparse import OptionParser +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 000000000..ae588fd4f --- /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 680473b51..85e30557d 100644 --- a/tests/test_plot_basis/test_plot_basis.py +++ b/tests/test_plot_basis/test_plot_basis.py @@ -1,47 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE -from optparse import OptionParser +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 000000000..0e4eb9a59 --- /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 233072400..49cdacb05 100644 --- a/tests/test_plot_colspec/test_plot_colspec.py +++ b/tests/test_plot_colspec/test_plot_colspec.py @@ -1,45 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE -from optparse import OptionParser +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 000000000..107632454 --- /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 680473b51..85e30557d 100644 --- a/tests/test_plot_mask/test_plot_mask.py +++ b/tests/test_plot_mask/test_plot_mask.py @@ -1,47 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE -from optparse import OptionParser +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 fc1b491c6..000000000 --- a/tests/test_ptables_off/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 456628159..17d6e9145 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 ab227e2ba..6633e5911 100644 --- a/tests/test_ptables_off/test_ptables_off.py +++ b/tests/test_ptables_off/test_ptables_off.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_reflective_cone/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_reflective_cone/test_reflective_cone.py +++ b/tests/test_reflective_cone/test_reflective_cone.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 b194e843e..000000000 --- a/tests/test_reflective_cylinder/results.py +++ /dev/null @@ -1,24 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -import openmc.statepoint as 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 8b5814335..f98c51788 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 ab227e2ba..6633e5911 100644 --- a/tests/test_reflective_cylinder/test_reflective_cylinder.py +++ b/tests/test_reflective_cylinder/test_reflective_cylinder.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 b194e843e..000000000 --- a/tests/test_reflective_plane/results.py +++ /dev/null @@ -1,24 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -import openmc.statepoint as 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 ab227e2ba..6633e5911 100644 --- a/tests/test_reflective_plane/test_reflective_plane.py +++ b/tests/test_reflective_plane/test_reflective_plane.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 b194e843e..000000000 --- a/tests/test_reflective_sphere/results.py +++ /dev/null @@ -1,24 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -import openmc.statepoint as 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 46a6c278c..47aa5c763 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 ab227e2ba..6633e5911 100644 --- a/tests/test_reflective_sphere/test_reflective_sphere.py +++ b/tests/test_reflective_sphere/test_reflective_sphere.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 084bcc683..000000000 --- a/tests/test_resonance_scattering/results.py +++ /dev/null @@ -1,24 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_resonance_scattering/test_resonance_scattering.py +++ b/tests/test_resonance_scattering/test_resonance_scattering.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 b194e843e..000000000 --- a/tests/test_rotation/results.py +++ /dev/null @@ -1,24 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -import openmc.statepoint as 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 ab227e2ba..6633e5911 100644 --- a/tests/test_rotation/test_rotation.py +++ b/tests/test_rotation/test_rotation.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 b194e843e..000000000 --- a/tests/test_salphabeta/results.py +++ /dev/null @@ -1,24 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -import openmc.statepoint as 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 ab227e2ba..6633e5911 100644 --- a/tests/test_salphabeta/test_salphabeta.py +++ b/tests/test_salphabeta/test_salphabeta.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_salphabeta_multiple/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_salphabeta_multiple/test_salphabeta_multiple.py +++ b/tests/test_salphabeta_multiple/test_salphabeta_multiple.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_MT/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_score_MT/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 91ae452f9..03b91f89f 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_MT/test_score_MT.py +++ b/tests/test_score_MT/test_score_MT.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_absorption/results.py deleted file mode 100644 index ac9a0e91b..000000000 --- a/tests/test_score_absorption/results.py +++ /dev/null @@ -1,46 +0,0 @@ - -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.zeros((tally1._sum.size + tally1._sum.size, )) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.zeros((tally2._sum.size + tally2._sum.size, )) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -# 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_absorption/test_score_absorption.py +++ b/tests/test_score_absorption/test_score_absorption.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_current/results.py deleted file mode 100644 index d2cb9adc0..000000000 --- a/tests/test_score_current/results.py +++ /dev/null @@ -1,45 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.zeros((tally1._sum.size + tally1._sum.size, )) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.zeros((tally2._sum.size + tally2._sum.size, )) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -# 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 84d1b489c..09d9a8ecf 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 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 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subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_events/results.py deleted file mode 100644 index d2cb9adc0..000000000 --- a/tests/test_score_events/results.py +++ /dev/null @@ -1,45 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.zeros((tally1._sum.size + tally1._sum.size, )) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.zeros((tally2._sum.size + tally2._sum.size, )) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -# 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_events/test_score_events.py +++ b/tests/test_score_events/test_score_events.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_fission/results.py deleted file mode 100644 index d2cb9adc0..000000000 --- a/tests/test_score_fission/results.py +++ /dev/null @@ -1,45 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.zeros((tally1._sum.size + tally1._sum.size, )) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.zeros((tally2._sum.size + tally2._sum.size, )) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -# 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 a79228e57..1a3d33383 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_fission/test_score_fission.py +++ b/tests/test_score_fission/test_score_fission.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_flux/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_score_flux/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 ecab5d7fb..9c21a0f3d 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_flux/test_score_flux.py +++ b/tests/test_score_flux/test_score_flux.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_flux_yn/results.py deleted file mode 100644 index d2cb9adc0..000000000 --- a/tests/test_score_flux_yn/results.py +++ /dev/null @@ -1,45 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.zeros((tally1._sum.size + tally1._sum.size, )) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.zeros((tally2._sum.size + tally2._sum.size, )) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -# 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 9a2d5f323..8c04c7c89 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 fd3b3ed5b..1777db993 --- a/tests/test_score_flux_yn/test_score_flux_yn.py +++ b/tests/test_score_flux_yn/test_score_flux_yn.py @@ -1,63 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_kappafission/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_score_kappafission/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 d0a8d8502..f9f4c44b9 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_kappafission/test_score_kappafission.py +++ b/tests/test_score_kappafission/test_score_kappafission.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_nufission/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_score_nufission/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 72ca819ea..21d6586b6 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_nufission/test_score_nufission.py +++ b/tests/test_score_nufission/test_score_nufission.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_nuscatter/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_score_nuscatter/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 6dab56d44..e2be939c7 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_nuscatter/test_score_nuscatter.py +++ b/tests/test_score_nuscatter/test_score_nuscatter.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_nuscatter_n/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_score_nuscatter_n/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 638fa5e90..9b84b7078 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 fd3b3ed5b..1777db993 100644 --- a/tests/test_score_nuscatter_n/test_score_nuscatter_n.py +++ b/tests/test_score_nuscatter_n/test_score_nuscatter_n.py @@ -1,63 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_nuscatter_pn/results.py deleted file mode 100644 index d2cb9adc0..000000000 --- a/tests/test_score_nuscatter_pn/results.py +++ /dev/null @@ -1,45 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.zeros((tally1._sum.size + tally1._sum.size, )) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.zeros((tally2._sum.size + tally2._sum.size, )) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -# 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 fd3b3ed5b..1777db993 100644 --- a/tests/test_score_nuscatter_pn/test_score_nuscatter_pn.py +++ b/tests/test_score_nuscatter_pn/test_score_nuscatter_pn.py @@ -1,63 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_nuscatter_yn/results.py deleted file mode 100644 index d2cb9adc0..000000000 --- a/tests/test_score_nuscatter_yn/results.py +++ /dev/null @@ -1,45 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.zeros((tally1._sum.size + tally1._sum.size, )) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.zeros((tally2._sum.size + tally2._sum.size, )) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -# 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 fd3b3ed5b..1777db993 100644 --- a/tests/test_score_nuscatter_yn/test_score_nuscatter_yn.py +++ b/tests/test_score_nuscatter_yn/test_score_nuscatter_yn.py @@ -1,63 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_scatter/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_score_scatter/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 bc7388481..9619e0f49 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_scatter/test_score_scatter.py +++ b/tests/test_score_scatter/test_score_scatter.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_scatter_n/results.py deleted file mode 100644 index 3f215b287..000000000 --- a/tests/test_score_scatter_n/results.py +++ /dev/null @@ -1,37 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.zeros((tally._sum.size + tally._sum.size, )) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 d7a49c1f3..418eabad7 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_scatter_n/test_score_scatter_n.py +++ b/tests/test_score_scatter_n/test_score_scatter_n.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_scatter_pn/results.py deleted file mode 100644 index d2cb9adc0..000000000 --- a/tests/test_score_scatter_pn/results.py +++ /dev/null @@ -1,45 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.zeros((tally1._sum.size + tally1._sum.size, )) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.zeros((tally2._sum.size + tally2._sum.size, )) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -# 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_scatter_pn/test_score_scatter_pn.py +++ b/tests/test_score_scatter_pn/test_score_scatter_pn.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_scatter_yn/results.py deleted file mode 100644 index d2cb9adc0..000000000 --- a/tests/test_score_scatter_yn/results.py +++ /dev/null @@ -1,45 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.zeros((tally1._sum.size + tally1._sum.size, )) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.zeros((tally2._sum.size + tally2._sum.size, )) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -# 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 fd3b3ed5b..1777db993 100644 --- a/tests/test_score_scatter_yn/test_score_scatter_yn.py +++ b/tests/test_score_scatter_yn/test_score_scatter_yn.py @@ -1,63 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_total/results.py deleted file mode 100644 index 3022c3272..000000000 --- a/tests/test_score_total/results.py +++ /dev/null @@ -1,36 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -tally = sp._tallies[1] -results = np.empty((tally._sum.size + tally._sum.size, ), dtype=np.float64) -results[0::2] = tally._sum.ravel() -results[1::2] = tally._sum_sq.ravel() - -# 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 0a1924c5d..0838e7bae 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 0130cd7a0..1777db993 100644 --- a/tests/test_score_total/test_score_total.py +++ b/tests/test_score_total/test_score_total.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_score_total_yn/results.py deleted file mode 100644 index c858d6baa..000000000 --- a/tests/test_score_total_yn/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.empty((tally1._sum.size + tally1._sum.size, ), dtype=np.float64) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.empty((tally2._sum.size + tally2._sum.size, ), dtype=np.float64) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -# 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 36d7040bd..b2dcd39e1 100644 --- a/tests/test_score_total_yn/results_true.dat +++ b/tests/test_score_total_yn/results_true.dat @@ -116,7 +116,7 @@ tally 2: 5.215322E-04 1.571095E-02 9.166057E-04 -7.226989E-03 +7.226990E-03 3.683499E-04 -2.456165E-02 1.571441E-04 @@ -154,7 +154,7 @@ tally 2: 6.914145E-05 -5.873760E-03 2.229738E-04 -6.666510E-03 +6.666511E-03 1.394147E-04 -3.245528E-03 1.550876E-04 @@ -192,7 +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 @@ -201,7 +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 @@ -277,34 +277,34 @@ 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 @@ -368,7 +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 @@ -377,7 +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 @@ -406,7 +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/test_score_total_yn.py b/tests/test_score_total_yn/test_score_total_yn.py index fd3b3ed5b..1777db993 100644 --- a/tests/test_score_total_yn/test_score_total_yn.py +++ b/tests/test_score_total_yn/test_score_total_yn.py @@ -1,63 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_seed/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_seed/test_seed.py +++ b/tests/test_seed/test_seed.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_source_angle_mono/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 e8ca8b9ea..1aca9a505 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 ab227e2ba..6633e5911 100644 --- a/tests/test_source_angle_mono/test_source_angle_mono.py +++ b/tests/test_source_angle_mono/test_source_angle_mono.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_source_energy_maxwell/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_source_energy_maxwell/test_source_energy_maxwell.py +++ b/tests/test_source_energy_maxwell/test_source_energy_maxwell.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_source_energy_mono/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_source_energy_mono/test_source_energy_mono.py +++ b/tests/test_source_energy_mono/test_source_energy_mono.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_source_file/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 17d4ee2e2..4464d4369 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 b85f70d53..d9aaa9a0f 100644 --- a/tests/test_source_file/test_source_file.py +++ b/tests/test_source_file/test_source_file.py @@ -1,119 +1,102 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_source_point/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_source_point/test_source_point.py +++ b/tests/test_source_point/test_source_point.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 47e9dcdc9..000000000 --- a/tests/test_sourcepoint_batch/results.py +++ /dev/null @@ -1,32 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 e7232e5f8..6dd7a8a22 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 7f225540f..8cafb4108 100644 --- a/tests/test_sourcepoint_batch/test_sourcepoint_batch.py +++ b/tests/test_sourcepoint_batch/test_sourcepoint_batch.py @@ -1,60 +1,38 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 47e9dcdc9..000000000 --- a/tests/test_sourcepoint_interval/results.py +++ /dev/null @@ -1,32 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 e7232e5f8..6dd7a8a22 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 4b75ed68e..8cafb4108 100644 --- a/tests/test_sourcepoint_interval/test_sourcepoint_interval.py +++ b/tests/test_sourcepoint_interval/test_sourcepoint_interval.py @@ -1,60 +1,38 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_sourcepoint_latest/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 44f1fd300..5ae398462 100644 --- a/tests/test_sourcepoint_latest/test_sourcepoint_latest.py +++ b/tests/test_sourcepoint_latest/test_sourcepoint_latest.py @@ -1,65 +1,22 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 88789385b..000000000 --- a/tests/test_sourcepoint_restart/results.py +++ /dev/null @@ -1,45 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally10 = sp._tallies[10] -results10 = np.zeros((tally10._sum.size + tally10._sum.size, )) -results10[0::2] = tally10._sum.ravel() -results10[1::2] = tally10._sum_sq.ravel() - -tally5 = sp._tallies[5] -results5 = np.zeros((tally5._sum.size + tally5._sum.size, )) -results5[0::2] = tally5._sum.ravel() -results5[1::2] = tally5._sum_sq.ravel() - -# 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 results10: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results5: - 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 0b4587d20..917fc0cdf 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 706f24e96..1777db993 100644 --- a/tests/test_sourcepoint_restart/test_sourcepoint_restart.py +++ b/tests/test_sourcepoint_restart/test_sourcepoint_restart.py @@ -1,151 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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([sys.executable, '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([sys.executable, '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([sys.executable, '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 e9237ee87..000000000 --- a/tests/test_statepoint_batch/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 45b045ecf..786fd5546 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 4298536c5..bc5632618 100644 --- a/tests/test_statepoint_batch/test_statepoint_batch.py +++ b/tests/test_statepoint_batch/test_statepoint_batch.py @@ -1,68 +1,24 @@ -#!/usr/bin/env python - -import os +#!/usr/bin/env python import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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.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_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_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.09.*')) - call([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_statepoint_interval/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 c70d547d8..b41ee2b7a 100644 --- a/tests/test_statepoint_interval/test_statepoint_interval.py +++ b/tests/test_statepoint_interval/test_statepoint_interval.py @@ -1,77 +1,26 @@ #!/usr/bin/env python -import os import sys -import glob -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 1341d6754..000000000 --- a/tests/test_statepoint_restart/results.py +++ /dev/null @@ -1,45 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.07.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally5 = sp._tallies[5] -results5 = np.zeros((tally5._sum.size + tally5._sum.size, )) -results5[0::2] = tally5._sum.ravel() -results5[1::2] = tally5._sum_sq.ravel() - -tally10 = sp._tallies[10] -results10 = np.zeros((tally10._sum.size + tally10._sum.size, )) -results10[0::2] = tally10._sum.ravel() -results10[1::2] = tally10._sum_sq.ravel() - -# 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 results10: - outstr += "{0:12.6E}\n".format(item) -outstr += 'tally 2:\n' -for item in results5: - 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 ea320003a..378d07639 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/test_statepoint_restart.py b/tests/test_statepoint_restart/test_statepoint_restart.py index 294e8b812..0420dbddf 100644 --- a/tests/test_statepoint_restart/test_statepoint_restart.py +++ b/tests/test_statepoint_restart/test_statepoint_restart.py @@ -1,140 +1,58 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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([sys.executable, '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([sys.executable, '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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_statepoint_sourcesep/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 b79743ae9..861a04f18 100644 --- a/tests/test_statepoint_sourcesep/test_statepoint_sourcesep.py +++ b/tests/test_statepoint_sourcesep/test_statepoint_sourcesep.py @@ -1,65 +1,22 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_survival_biasing/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_survival_biasing/test_survival_biasing.py +++ b/tests/test_survival_biasing/test_survival_biasing.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_tally_assumesep/results.py deleted file mode 100644 index f04df3a01..000000000 --- a/tests/test_tally_assumesep/results.py +++ /dev/null @@ -1,53 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.zeros((tally1._sum.size + tally1._sum.size, )) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.zeros((tally2._sum.size + tally2._sum.size, )) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -tally3 = sp._tallies[3] -results3 = np.zeros((tally3._sum.size + tally3._sum.size, )) -results3[0::2] = tally3._sum.ravel() -results3[1::2] = tally3._sum_sq.ravel() - -# 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 0130cd7a0..1777db993 100644 --- a/tests/test_tally_assumesep/test_tally_assumesep.py +++ b/tests/test_tally_assumesep/test_tally_assumesep.py @@ -1,65 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 edbebc126..000000000 --- a/tests/test_tally_nuclides/results.py +++ /dev/null @@ -1,44 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') - -sp.read_results() - -# extract tally results and convert to vector -tally1 = sp._tallies[1] -results1 = np.zeros((tally1._sum.size + tally1._sum.size, )) -results1[0::2] = tally1._sum.ravel() -results1[1::2] = tally1._sum_sq.ravel() - -tally2 = sp._tallies[2] -results2 = np.zeros((tally2._sum.size + tally2._sum.size, )) -results2[0::2] = tally2._sum.ravel() -results2[1::2] = tally2._sum_sq.ravel() - -results = np.concatenate((results1.flatten(), results2.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 cfcee45ec..b8e903049 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 ab227e2ba..1777db993 100644 --- a/tests/test_tally_nuclides/test_tally_nuclides.py +++ b/tests/test_tally_nuclides/test_tally_nuclides.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_trace/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 bfa5163b8..6633e5911 100644 --- a/tests/test_trace/test_trace.py +++ b/tests/test_trace/test_trace.py @@ -1,62 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 dc20bd1b8..3b5a49311 100644 --- a/tests/test_track_output/geometry.xml +++ b/tests/test_track_output/geometry.xml @@ -35,7 +35,7 @@ - + -12.2682 -12.2682 1.63576 1.63576 @@ -59,7 +59,7 @@ - + -12.2682 -12.2682 1.63576 1.63576 @@ -86,7 +86,7 @@ - + -12.2682 -12.2682 1.63576 1.63576 @@ -115,7 +115,7 @@ - + -12.2682 -12.2682 1.63576 1.63576 @@ -139,7 +139,7 @@ - + -12.2682 -12.2682 1.63576 1.63576 @@ -166,7 +166,7 @@ - + -12.2682 -12.2682 1.63576 1.63576 @@ -193,7 +193,7 @@ - + -12.2682 -12.2682 1.63576 1.63576 @@ -221,7 +221,7 @@ - + -12.2682 -12.2682 1.63576 1.63576 @@ -248,7 +248,7 @@ - + -12.2682 -12.2682 1.63576 1.63576 @@ -284,7 +284,7 @@ - + -85.8774 -85.8774 24.5364 24.5364 diff --git a/tests/test_track_output/results.py b/tests/test_track_output/results.py deleted file mode 100644 index dedc07873..000000000 --- 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(['../../scripts/openmc-track-to-vtk', '-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 089efbfb2..31d29b742 100644 --- a/tests/test_track_output/test_track_output.py +++ b/tests/test_track_output/test_track_output.py @@ -1,64 +1,56 @@ #!/usr/bin/env python -import os +import shutil import sys -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() +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_translation/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_translation/test_translation.py +++ b/tests/test_translation/test_translation.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_trigger_batch_interval/results.py deleted file mode 100644 index 8710a976c..000000000 --- a/tests/test_trigger_batch_interval/results.py +++ /dev/null @@ -1,42 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.19.binary') - -sp.read_results() - -# extract tally results and convert to vector -sum1 = sp._tallies[1]._sum -sum_sq1 = sp._tallies[1]._sum_sq -results1 = np.concatenate([sum1, sum_sq1]) - -sum2 = sp._tallies[2]._sum -sum_sq2 = sp._tallies[2]._sum_sq -results2 = np.concatenate([sum2, sum_sq2]) - -results = np.concatenate([results1.flatten(), results2.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_trigger_batch_interval/results_true.dat b/tests/test_trigger_batch_interval/results_true.dat index 95bbef6f6..65fa51bb4 100644 --- a/tests/test_trigger_batch_interval/results_true.dat +++ b/tests/test_trigger_batch_interval/results_true.dat @@ -1,27 +1,28 @@ k-combined: -9.851940E-01 4.283951E-03 -tallies: +9.851940E-01 4.283950E-03 +tally 1: 1.972289E+01 -4.489781E+00 -4.356175E+00 -1.523311E+01 -1.972289E+01 -4.489781E+00 -4.356175E+00 -1.523311E+01 -2.779778E+01 -1.440247E+00 -1.355797E+00 -1.658397E+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 -4.489781E+00 -4.356175E+00 -1.523311E+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/test_trigger_batch_interval.py b/tests/test_trigger_batch_interval/test_trigger_batch_interval.py index c82edb5b5..d5e176fea 100644 --- a/tests/test_trigger_batch_interval/test_trigger_batch_interval.py +++ b/tests/test_trigger_batch_interval/test_trigger_batch_interval.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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.19.*')) - 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.19.*')) - call([sys.executable, '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.19.*')) - 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.19.*', True) + harness.main() diff --git a/tests/test_trigger_no_batch_interval/results.py b/tests/test_trigger_no_batch_interval/results.py deleted file mode 100644 index 993296a57..000000000 --- a/tests/test_trigger_no_batch_interval/results.py +++ /dev/null @@ -1,41 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.19.binary') -sp.read_results() - -# extract tally results and convert to vector -sum1 = sp._tallies[1]._sum -sum_sq1 = sp._tallies[1]._sum_sq -results1 = np.concatenate([sum1, sum_sq1]) - -sum2 = sp._tallies[2]._sum -sum_sq2 = sp._tallies[2]._sum_sq -results2 = np.concatenate([sum2, sum_sq2]) - -results = np.concatenate([results1.flatten(), results2.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_trigger_no_batch_interval/results_true.dat b/tests/test_trigger_no_batch_interval/results_true.dat index 95bbef6f6..65fa51bb4 100644 --- a/tests/test_trigger_no_batch_interval/results_true.dat +++ b/tests/test_trigger_no_batch_interval/results_true.dat @@ -1,27 +1,28 @@ k-combined: -9.851940E-01 4.283951E-03 -tallies: +9.851940E-01 4.283950E-03 +tally 1: 1.972289E+01 -4.489781E+00 -4.356175E+00 -1.523311E+01 -1.972289E+01 -4.489781E+00 -4.356175E+00 -1.523311E+01 -2.779778E+01 -1.440247E+00 -1.355797E+00 -1.658397E+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 -4.489781E+00 -4.356175E+00 -1.523311E+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/test_trigger_no_batch_interval.py b/tests/test_trigger_no_batch_interval/test_trigger_no_batch_interval.py index c82edb5b5..d5e176fea 100644 --- 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 @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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.19.*')) - 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.19.*')) - call([sys.executable, '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.19.*')) - 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.19.*', True) + harness.main() diff --git a/tests/test_trigger_no_status/results.py b/tests/test_trigger_no_status/results.py deleted file mode 100644 index c371ffb97..000000000 --- a/tests/test_trigger_no_status/results.py +++ /dev/null @@ -1,41 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.10.binary') -sp.read_results() - -# extract tally results and convert to vector -sum1 = sp._tallies[1]._sum -sum_sq1 = sp._tallies[1]._sum_sq -results1 = np.concatenate([sum1, sum_sq1]) - -sum2 = sp._tallies[2]._sum -sum_sq2 = sp._tallies[2]._sum_sq -results2 = np.concatenate([sum2, sum_sq2]) - -results = np.concatenate([results1.flatten(), results2.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_trigger_no_status/results_true.dat b/tests/test_trigger_no_status/results_true.dat index 4ab52de53..b9dc78dd0 100644 --- a/tests/test_trigger_no_status/results_true.dat +++ b/tests/test_trigger_no_status/results_true.dat @@ -1,27 +1,28 @@ k-combined: 9.809303E-01 7.264435E-03 -tallies: +tally 1: 7.031241E+00 -1.599216E+00 -1.550710E+00 -5.432025E+00 -7.031241E+00 -1.599216E+00 -1.550710E+00 -5.432025E+00 -9.892232E+00 -5.115987E-01 -4.810241E-01 -5.904811E+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 -1.599216E+00 -1.550710E+00 -5.432025E+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/test_trigger_no_status.py b/tests/test_trigger_no_status/test_trigger_no_status.py index ab227e2ba..1777db993 100644 --- a/tests/test_trigger_no_status/test_trigger_no_status.py +++ b/tests/test_trigger_no_status/test_trigger_no_status.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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_trigger_tallies/results.py b/tests/test_trigger_tallies/results.py deleted file mode 100644 index 1dc194079..000000000 --- a/tests/test_trigger_tallies/results.py +++ /dev/null @@ -1,42 +0,0 @@ -#!/usr/bin/env python - -import sys -import numpy as np - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = StatePoint('statepoint.15.binary') -sp.read_results() - -# extract tally results and convert to vector -sum1 = sp._tallies[1]._sum -sum_sq1 = sp._tallies[1]._sum_sq -results1 = np.concatenate([sum1, sum_sq1]) - -sum2 = sp._tallies[2]._sum -sum_sq2 = sp._tallies[2]._sum_sq -results2 = np.concatenate([sum2, sum_sq2]) - -results = np.concatenate([results1.flatten(), results2.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_trigger_tallies/results_true.dat b/tests/test_trigger_tallies/results_true.dat index 86c3cfa03..86b1c14d5 100644 --- a/tests/test_trigger_tallies/results_true.dat +++ b/tests/test_trigger_tallies/results_true.dat @@ -1,27 +1,28 @@ k-combined: -9.824135E-01 6.844128E-03 -tallies: +9.824135E-01 6.844127E-03 +tally 1: 1.408810E+01 -3.199600E+00 -3.102648E+00 -1.088850E+01 -1.408810E+01 -3.199600E+00 -3.102648E+00 -1.088850E+01 -1.985836E+01 -1.024050E+00 -9.629173E-01 -1.186391E+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 -3.199600E+00 -3.102648E+00 -1.088850E+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/test_trigger_tallies.py b/tests/test_trigger_tallies/test_trigger_tallies.py index 940d5dc17..20094827e 100644 --- a/tests/test_trigger_tallies/test_trigger_tallies.py +++ b/tests/test_trigger_tallies/test_trigger_tallies.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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.15.*')) - 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.15.*')) - call([sys.executable, '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.15.*')) - 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.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 fc1b491c6..000000000 --- a/tests/test_uniform_fs/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_uniform_fs/test_uniform_fs.py +++ b/tests/test_uniform_fs/test_uniform_fs.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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/results.py b/tests/test_union_energy_grids/results.py deleted file mode 100644 index 234e69f33..000000000 --- a/tests/test_union_energy_grids/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - print(sys.argv) - sp = StatePoint(sys.argv[1]) -else: - sp = 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_union_energy_grids/test_union_energy_grids.py b/tests/test_union_energy_grids/test_union_energy_grids.py index ab227e2ba..6633e5911 100644 --- a/tests/test_union_energy_grids/test_union_energy_grids.py +++ b/tests/test_union_energy_grids/test_union_energy_grids.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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_universe/results.py b/tests/test_universe/results.py deleted file mode 100644 index fc1b491c6..000000000 --- a/tests/test_universe/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_universe/test_universe.py +++ b/tests/test_universe/test_universe.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 fc1b491c6..000000000 --- a/tests/test_void/results.py +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/env python - -import sys - -sys.path.insert(0, '../..') -from openmc.statepoint import StatePoint - -# read in statepoint file -if len(sys.argv) > 1: - sp = StatePoint(sys.argv[1]) -else: - sp = 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 ab227e2ba..6633e5911 100644 --- a/tests/test_void/test_void.py +++ b/tests/test_void/test_void.py @@ -1,60 +1,10 @@ #!/usr/bin/env python -import os import sys -from subprocess import Popen, STDOUT, PIPE, call -import filecmp -import glob -from optparse import OptionParser +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([sys.executable, '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 000000000..9405db845 --- /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_install.sh b/tests/travis_install.sh index 4976ad092..c01a980c0 100755 --- a/tests/travis_install.sh +++ b/tests/travis_install.sh @@ -1,38 +1,39 @@ -#!/bin/sh +#!/bin/bash set -ev -# Build MPICH and HDF5 for rest of debug tests -if [ "$TRAVIS_PULL_REQUEST" != "false" ]; then - - # Build MPICH - 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=$PWD/../mpich_install -q - make -j >/dev/null 2>&1 - make install >/dev/null 2>&1 - cd .. - - # Build PHDF5 - wget -q http://www.hdfgroup.org/ftp/HDF5/releases/hdf5-1.8.15/src/hdf5-1.8.15.tar.gz - tar -xzvf hdf5-1.8.15.tar.gz >/dev/null 2>&1 - mv hdf5-1.8.15 phdf5-1.8.15; cd phdf5-1.8.15 - CC=$PWD/../mpich_install/bin/mpicc FC=$PWD/../mpich_install/bin/mpif90 \ - ./configure \ - --prefix=$PWD/../phdf5_install -q --enable-fortran \ - --enable-fortran2003 --enable-parallel - make -j >/dev/null 2>&1 - make install >/dev/null 2>&1 - cd .. - - # Build HDF5 - tar -xzvf hdf5-1.8.15.tar.gz >/dev/null 2>&1 - cd hdf5-1.8.15 - CC=gcc FC=gfortran ./configure --prefix=$PWD/../hdf5_install -q \ - --enable-fortran --enable-fortran2003 - make -j >/dev/null 2>&1 - make install >/dev/null 2>&1 - cd .. - +# 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 5b785fc59..565600333 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')) @@ -56,47 +43,18 @@ for adir in sorted(folders): for i in range(35 - sz): print('.', end="") - # Handle source file test separately since it requires running OpenMC twice - if adir == 'test_source_file': - 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' - # Handle distribcell test separately since it requires running OpenMC 3x - elif adir == 'test_filter_distribcell': - if os.path.exists('results_error.dat'): - os.remove('results_error.dat') - proc = Popen(['python', 'test_filter_distribcell.py', - '--exe', openmc_exe], stderr=STDOUT, stdout=PIPE) - returncode = proc.wait() - if os.path.exists('results_error.dat'): - print('renamed results_error!!!') - os.rename('results_error.dat', 'results_true.dat') - print(BOLD + OKGREEN + "[OK]" + ENDC) - os.chdir('..') - continue - - # 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('..')