diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 999dea312..1a905b3cf 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -35,13 +35,16 @@ jobs: vectfit: [n] include: - - python-version: 3.7 + - python-version: "3.7" omp: n mpi: n - - python-version: 3.8 + - python-version: "3.8" omp: n mpi: n - - python-version: 3.9 + - python-version: "3.9" + omp: n + mpi: n + - python-version: "3.11" omp: n mpi: n - dagmc: y diff --git a/CMakeLists.txt b/CMakeLists.txt index 0dcaa6fb3..866050a98 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -4,7 +4,7 @@ project(openmc C CXX) # Set version numbers set(OPENMC_VERSION_MAJOR 0) set(OPENMC_VERSION_MINOR 13) -set(OPENMC_VERSION_RELEASE 3) +set(OPENMC_VERSION_RELEASE 4) set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE}) configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY) diff --git a/docs/source/conf.py b/docs/source/conf.py index 988e626cf..8dbbfc6d4 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -71,7 +71,7 @@ copyright = '2011-2023, Massachusetts Institute of Technology, UChicago Argonne # The short X.Y version. version = "0.13" # The full version, including alpha/beta/rc tags. -release = "0.13.3" +release = "0.13.4" # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst index 9a08eed73..09b1b1144 100644 --- a/docs/source/io_formats/statepoint.rst +++ b/docs/source/io_formats/statepoint.rst @@ -72,12 +72,23 @@ The current version of the statepoint file format is 17.0. :Datasets: - **type** (*char[]*) -- Type of mesh. - **dimension** (*int*) -- Number of mesh cells in each dimension. - - **lower_left** (*double[]*) -- Coordinates of lower-left corner of - mesh. - - **upper_right** (*double[]*) -- Coordinates of upper-right corner - of mesh. - - **width** (*double[]*) -- Width of each mesh cell in each - dimension. + - **Regular Mesh Only:** + - **lower_left** (*double[]*) -- Coordinates of lower-left corner of + mesh. + - **upper_right** (*double[]*) -- Coordinates of upper-right corner + of mesh. + - **width** (*double[]*) -- Width of each mesh cell in each + dimension. + - **Rectilinear Mesh Only:** + - **x_grid** (*double[]*) -- Mesh divisions along the x-axis. + - **y_grid** (*double[]*) -- Mesh divisions along the y-axis. + - **z_grid** (*double[]*) -- Mesh divisions along the z-axis. + - **Cylindrical & Spherical Mesh Only:** + - **r_grid** (*double[]*) -- The mesh divisions along the r-axis. + - **phi_grid** (*double[]*) -- The mesh divisions along the phi-axis. + - **origin** (*double[]*) -- The origin in cartesian coordinates. + - **Spherical Mesh Only:** + - **theta_grid** (*double[]*) -- The mesh divisions along the theta-axis. - **Unstructured Mesh Only:** - **filename** (*char[]*) -- Name of the mesh file. - **library** (*char[]*) -- Mesh library used to represent the diff --git a/docs/source/io_formats/tallies.rst b/docs/source/io_formats/tallies.rst index 8594bb11c..897941ad4 100644 --- a/docs/source/io_formats/tallies.rst +++ b/docs/source/io_formats/tallies.rst @@ -351,6 +351,9 @@ attributes/sub-elements: :theta_grid: The mesh divisions along the theta-axis. (For spherical mesh only.) + :origin: + The origin in cartesian coordinates. (For cylindrical and spherical meshes only.) + :library: The mesh library used to represent an unstructured mesh. This can be either "moab" or "libmesh". (For unstructured mesh only.) diff --git a/docs/source/releasenotes/0.13.2.rst b/docs/source/releasenotes/0.13.2.rst index e9175358b..b0c9b0691 100644 --- a/docs/source/releasenotes/0.13.2.rst +++ b/docs/source/releasenotes/0.13.2.rst @@ -14,7 +14,7 @@ Notably, a capability has been added to compute the photon spectra from decay of unstable nuclides. Alongside that, a new :data:`openmc.config` configuration variable has been introduced that allows easier configuration of data sources. Additionally, users can now perform cell or material rejection when sampling -external source distributions. Finally, +external source distributions. ------------------------------------ Compatibility Notes and Deprecations diff --git a/docs/source/releasenotes/0.13.3.rst b/docs/source/releasenotes/0.13.3.rst new file mode 100644 index 000000000..c2debbcb3 --- /dev/null +++ b/docs/source/releasenotes/0.13.3.rst @@ -0,0 +1,134 @@ +==================== +What's New in 0.13.3 +==================== + +.. currentmodule:: openmc + +------- +Summary +------- + +This release of OpenMC includes many bug fixes, performance improvements, and +several notable new features. Some of the highlights include support for MCPL +source files, NCrystal thermal scattering materials, and a new +:class:`openmc.stats.MeshSpatial` class that allows a source distribution to be +specified over a mesh. Additionally, OpenMC now allows you to export your model +as a single XML file rather than separate XML files for geometry, materials, +settings, and tallies. + +------------------------------------ +Compatibility Notes and Deprecations +------------------------------------ + +- Atomic mass data used in :func:`openmc.data.atomic_mass` has been updated to + AME 2020, which results in slightly different masses. + +------------ +New Features +------------ + +- Support was added for `MCPL `_ files to be + used as external sources. Additionally, source points and surfaces sources can + be written as MCPL files instead of HDF5 files. (`#2116 + `_) +- Support was added for `NCrystal `_ + thermal scattering materials. (`#2222 + `_) +- The :class:`~openmc.CylindricalMesh` and :class:`~openmc.SphericalMesh` + classes now have an ``origin`` attribute that changes the center of the mesh. + (`#2256 `_) +- A new :class:`openmc.model.Polygon` class allows defining generalized 2D + polygons. (`#2266 `_) +- A new :func:`openmc.data.decay_energy` function and + :meth:`openmc.Material.get_decay_heat` method enable determination of decay + heat from a single nuclide or material. (`#2287 + `_) +- Full models can now be written as a single XML file rather than separate + geometry, materials, settings, and tallies XML files. (`#2291 + `_) +- Discrete distributions are now sampled using alias sampling, which is O(1) in + time. (`#2329 `_) +- The new :class:`openmc.stats.MeshSpatial` allows a spatial source distribution + to be specified with source strengths for each mesh element. (`#2334 + `_) +- The new :meth:`openmc.Geometry.get_surfaces_by_name` method returns a list of + matching surfaces in a geometry. (`#2347 + `_) +- A new :attr:`openmc.Settings.create_delayed_neutrons` attribute controls + whether delayed neutrons are created during a simulation. (`#2348 + `_) +- The :meth:`openmc.deplete.Results.export_to_materials` method now takes a + ``path`` argument. (`#2364 `_) +- A new :meth:`openmc.EnergyFilter.get_tabular` method allows one to create a + tabular distribution based on tally results using an energy filter. (`#2371 + `_) +- Several methods in the :class:`openmc.Material` class that require a volume to + be set (e.g., :meth:`~openmc.Material.get_mass`) now accept a ``volume`` + argument. (`#2412 `_) + +--------- +Bug Fixes +--------- + +- Fix for finding redundant surfaces (`#2263 `_) +- Adds tolerance for temperatures slightly out of bounds (`#2265 `_) +- Fix getter/setter for weight window bounds (`#2275 `_) +- Make sure Chain.reduce preserves decay source (`#2283 `_) +- Fix array shape for weight window bounds (`#2284 `_) +- Fix for non-zero CDF start points in TSL data (`#2290 `_) +- Fix a case where inelastic scattering yield is zero (`#2295 `_) +- Prevent Compton profile out-of-bounds memory access (`#2297 `_) +- Produce light particles from decay (`#2301 `_) +- Fix zero runtime attributes in depletion statepoints (`#2302 `_) +- Fix bug in openmc.Universe.get_nuclide_densities (`#2310 `_) +- Only show print output from depletion on rank 0 (`#2311 `_) +- Fix photon transport with no atomic relaxation data (`#2312 `_) +- Fix for precedence in region expressions (`#2318 `_) +- Allow source particles with energy below cutoff (`#2319 `_) +- Fix IncidentNeutron.from_njoy for high temperatures (`#2320 `_) +- Add capability to unset cell temperatures (`#2323 `_) +- Fix in plot_xs when S(a,b) tables are present (`#2335 `_) +- Various fixes for tally triggers (`#2344 `_) +- Raise error when mesh is flat (`#2363 `_) +- Don't call normalize inside Tabular.mean (`#2375 `_) +- Avoid out-of-bounds access in inelastic scatter sampling (`#2378 `_) +- Use correct direction for anisotropic fission (`#2381 `_) +- Fix several thermal scattering nuclide assignments (`#2382 `_) +- Fix _materials_by_id attribute in Model (`#2385 `_) +- Updates to batch checks for simulation restarts (`#2390 `_) +- write_data_to_vtk volume normalization correction (`#2397 `_) +- Enable generation of JEFF 3.3 depletion chain (`#2410 `_) +- Fix spherical to Cartesian coordinate conversion (`#2417 `_) +- Handle zero photon cross sections in IncidentPhoton.from_ace (`#2433 `_) +- Fix hybrid depletion when nuclides are not present (`#2436 `_) +- Fix bug in cylindrical and spherical meshes (`#2439 `_) +- Improvements to mesh radial boundary coincidence (`#2443 `_) + +------------ +Contributors +------------ + +- `Hunter Belanger `_ +- `Rémi Delaporte-Mathurin `_ +- `Christopher Fichtlscherer `_ +- `Valerio Giusti `_ +- `Chris Keckler `_ +- `Kalin Kiesling `_ +- `Thomas Kittelmann `_ +- `Erik Knudsen `_ +- `Colin Larmier `_ +- `Amanda Lund `_ +- `Jose Ignacio Marquez Damien `_ +- `Josh May `_ +- `Patrick Myers `_ +- `Baptiste Mouginot `_ +- `April Novak `_ +- `Matthew Nyberg `_ +- `Ethan Peterson `_ +- `Gavin Ridley `_ +- `Paul Romano `_ +- `Patrick Shriwise `_ +- `Jonathan Shimwell `_ +- `Paul Wilson `_ +- `Olek Yardas `_ +- `Jiankai Yu `_ diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst index 910737a41..30b6d51de 100644 --- a/docs/source/releasenotes/index.rst +++ b/docs/source/releasenotes/index.rst @@ -7,6 +7,7 @@ Release Notes .. toctree:: :maxdepth: 1 + 0.13.3 0.13.2 0.13.1 0.13.0 diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst index 899e16506..ed02c5d9f 100644 --- a/docs/source/usersguide/install.rst +++ b/docs/source/usersguide/install.rst @@ -105,9 +105,9 @@ other information use: .. note:: - It should be noted that by default OpenMC builds with ``-O2 -g`` flags which - are equivalent to a CMake build type of `RelwithDebInfo`. In addition, MPI - is OFF while OpenMP is ON. + It should be noted that by default OpenMC is built with + `-DCMAKE_BUILD_TYPE=RelwithDebInfo`. In addition, MPI is OFF while OpenMP is + ON. It is recommended to install OpenMC with the Python API. Information about this Spack recipe can be found with the following command: @@ -133,17 +133,18 @@ following command: configured defaults unless otherwise specfied in the specification on the command line. In the above example, assuming the default options weren't changed in Spack's package configuration, py-openmc will link against a - non-optimized non-MPI openmc. Even if an optimized openmc was built - separately, it will rebuild openmc with optimization OFF. Thus, if you are - trying to link against dependencies that were configured different than - defaults, ``^openmc[variants]`` will have to be present in the command. + non-MPI non-release build of openmc. Even if a release build of openmc was + built separately, it will rebuild openmc with the default build type. Thus, + if you are trying to link against dependencies that were configured + different than defaults, ``^openmc[variants]`` will have to be present in + the command. -For a more performant build of OpenMC with optimization turned ON and MPI -provided by OpenMPI, the following command can be used: +For a release build of OpenMC with MPI support on (provided by OpenMPI), the +following command can be used: .. code-block:: sh - spack install py-openmc+mpi ^openmc+optimize ^openmpi + spack install py-openmc +mpi ^openmpi ^openmc build_type=Release .. note:: @@ -163,7 +164,7 @@ This can be observed using Spack's ``spec`` tool: .. code-block:: - spack spec py-openmc+mpi ^openmc+optimize + spack spec py-openmc +mpi ^openmc build_type=Release Once installed, environment/lmod modules can be generated or Spack's ``load`` feature can be used to access the installed packages. @@ -277,7 +278,7 @@ Prerequisites Lists) files instead of .h5 files for sources (external source distribution, k-eigenvalue source distribution, and surface sources). To turn this option on in the CMake configuration step, add the following - option: + option:: cmake -DOPENMC_USE_MCPL=on .. @@ -288,7 +289,7 @@ Prerequisites on-the-fly approach. To use it `install `_ and `initialize `_ - NCrystal and turn on the option in the CMake configuration step: + NCrystal and turn on the option in the CMake configuration step:: cmake -DOPENMC_USE_NCRYSTAL=on .. @@ -299,7 +300,7 @@ Prerequisites be used, but the implementation is currently restricted to collision estimators. In addition to turning this option on, the path to the libMesh installation should be specified as part of the ``CMAKE_PREFIX_PATH`` - variable.:: + variable:: cmake -DOPENMC_USE_LIBMESH=on -DOPENMC_USE_MPI=on -DCMAKE_PREFIX_PATH=/path/to/libmesh/installation .. @@ -371,6 +372,10 @@ CMakeLists.txt Options The following options are available in the CMakeLists.txt file: +OPENMC_ENABLE_COVERAGE + Compile and link code instrumented for coverage analysis. This is typically + used in conjunction with gcov_. (Default: off) + OPENMC_ENABLE_PROFILE Enables profiling using the GNU profiler, gprof. (Default: off) @@ -385,22 +390,23 @@ OPENMC_USE_DAGMC should also be defined as `DAGMC_ROOT` in the CMake configuration command. (Default: off) +OPENMC_USE_MCPL + Turns on support for reading MCPL_ source files and writing MCPL source points + and surface sources. (Default: off) + OPENMC_USE_NCRYSTAL - Turns on support for NCrystal materials. NCrystal must be - `installed `_ and - `initialized `_. + Turns on support for NCrystal materials. NCrystal must be `installed + `_ and `initialized + `_. (Default: off) OPENMC_USE_LIBMESH Enables the use of unstructured mesh tallies with libMesh_. (Default: off) -OPENMC_ENABLE_COVERAGE - Compile and link code instrumented for coverage analysis. This is typically - used in conjunction with gcov_. (Default: off) - OPENMC_USE_MPI - Turns on compiling with MPI (default: off). For further information on MPI options, - please see the `FindMPI.cmake documentation `_. + Turns on compiling with MPI (Default: off). For further information on MPI + options, please see the `FindMPI.cmake documentation + `_. To set any of these options (e.g., turning on profiling), the following form should be used: @@ -521,13 +527,7 @@ distribution/repository, run: pip will first check that all :ref:`required third-party packages ` have been installed, and if they are not present, they will be installed by downloading the appropriate packages from the Python -Package Index (`PyPI `_). However, do note that since pip -runs the ``setup.py`` script which requires NumPy, you will have to first -install NumPy: - -.. code-block:: sh - - pip install numpy +Package Index (`PyPI `_). Installing in "Development" Mode -------------------------------- diff --git a/include/openmc/constants.h b/include/openmc/constants.h index a1cc2939c..b0031fae3 100644 --- a/include/openmc/constants.h +++ b/include/openmc/constants.h @@ -25,7 +25,7 @@ using double_4dvec = vector>>>; constexpr int HDF5_VERSION[] {3, 0}; // Version numbers for binary files -constexpr array VERSION_STATEPOINT {18, 0}; +constexpr array VERSION_STATEPOINT {18, 1}; constexpr array VERSION_PARTICLE_RESTART {2, 0}; constexpr array VERSION_TRACK {3, 0}; constexpr array VERSION_SUMMARY {6, 0}; @@ -51,6 +51,10 @@ constexpr double FP_PRECISION {1e-14}; constexpr double FP_REL_PRECISION {1e-5}; constexpr double FP_COINCIDENT {1e-12}; +// Coincidence tolerances +constexpr double TORUS_TOL {1e-10}; +constexpr double RADIAL_MESH_TOL {1e-10}; + // Maximum number of random samples per history constexpr int MAX_SAMPLE {100000}; diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h index 815ffa21a..03b046bbb 100644 --- a/include/openmc/distribution.h +++ b/include/openmc/distribution.h @@ -31,6 +31,39 @@ using UPtrDist = unique_ptr; //! \return Unique pointer to distribution UPtrDist distribution_from_xml(pugi::xml_node node); +//============================================================================== +//! A discrete distribution index (probability mass function) +//============================================================================== + +class DiscreteIndex { +public: + DiscreteIndex() {}; + DiscreteIndex(pugi::xml_node node); + DiscreteIndex(const double* p, int n); + + void assign(const double* p, int n); + + //! Sample a value from the distribution + //! \param seed Pseudorandom number seed pointer + //! \return Sampled value + size_t sample(uint64_t* seed) const; + + // Properties + const vector& prob() const { return prob_; } + const vector& alias() const { return alias_; } + +private: + vector prob_; //!< Probability of accepting the uniformly sampled bin, + //!< mapped to alias method table + vector alias_; //!< Alias table + + //! Normalize distribution so that probabilities sum to unity + void normalize(); + + //! Initialize alias tables for distribution + void init_alias(); +}; + //============================================================================== //! A discrete distribution (probability mass function) //============================================================================== @@ -47,20 +80,13 @@ public: // Properties const vector& x() const { return x_; } - const vector& prob() const { return prob_; } - const vector& alias() const { return alias_; } + const vector& prob() const { return di_.prob(); } + const vector& alias() const { return di_.alias(); } private: - vector x_; //!< Possible outcomes - vector prob_; //!< Probability of accepting the uniformly sampled bin, - //!< mapped to alias method table - vector alias_; //!< Alias table - - //! Normalize distribution so that probabilities sum to unity - void normalize(); - - //! Initialize alias tables for distribution - void init_alias(vector& x, vector& p); + vector x_; //!< Possible outcomes + DiscreteIndex di_; //!< discrete probability distribution of + //!< outcome indices }; //============================================================================== diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h index a8cc7c58e..9fba95060 100644 --- a/include/openmc/distribution_spatial.h +++ b/include/openmc/distribution_spatial.h @@ -114,11 +114,8 @@ public: private: int32_t mesh_idx_ {C_NONE}; - double total_strength_ {0.0}; - // TODO: move to an independent class in the future that's similar - // to a discrete distribution without outcomes - std::vector mesh_CDF_; - std::vector mesh_strengths_; + DiscreteIndex elem_idx_dist_; //!< Distribution of + //!< mesh element indices }; //============================================================================== diff --git a/include/openmc/material.h b/include/openmc/material.h index 8db9bb628..deaee2469 100644 --- a/include/openmc/material.h +++ b/include/openmc/material.h @@ -90,6 +90,12 @@ public: void set_densities( const vector& name, const vector& density); + //! Clone the material by deep-copying all members, except for the ID, + // which will get auto-assigned to the next available ID. After creating + // the new material, it is added to openmc::model::materials. + //! \return reference to the cloned material + Material & clone(); + //---------------------------------------------------------------------------- // Accessors diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 93d08f597..4fdb2eb4a 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -75,6 +75,12 @@ public: // Methods + //! Update a position to the local coordinates of the mesh + virtual void local_coords(Position& r) const {}; + + //! Return a position in the local coordinates of the mesh + virtual Position local_coords(const Position& r) const { return r; }; + //! Sample a mesh volume using a certain seed // //! \param[in] seed Seed to use for random sampling @@ -262,6 +268,23 @@ public: protected: }; +class PeriodicStructuredMesh : public StructuredMesh { + +public: + PeriodicStructuredMesh() = default; + PeriodicStructuredMesh(pugi::xml_node node) : StructuredMesh {node} {}; + + void local_coords(Position& r) const override { r -= origin_; }; + + Position local_coords(const Position& r) const override + { + return r - origin_; + }; + + // Data members + Position origin_ {0.0, 0.0, 0.0}; //!< Origin of the mesh +}; + //============================================================================== //! Tessellation of n-dimensional Euclidean space by congruent squares or cubes //============================================================================== @@ -352,7 +375,7 @@ public: int set_grid(); }; -class CylindricalMesh : public StructuredMesh { +class CylindricalMesh : public PeriodicStructuredMesh { public: // Constructors CylindricalMesh() = default; @@ -406,7 +429,7 @@ private: } }; -class SphericalMesh : public StructuredMesh { +class SphericalMesh : public PeriodicStructuredMesh { public: // Constructors SphericalMesh() = default; diff --git a/include/openmc/xml_interface.h b/include/openmc/xml_interface.h index d96bb6cc2..bd6554c13 100644 --- a/include/openmc/xml_interface.h +++ b/include/openmc/xml_interface.h @@ -9,6 +9,7 @@ #include "xtensor/xadapt.hpp" #include "xtensor/xarray.hpp" +#include "openmc/position.h" #include "openmc/vector.h" namespace openmc { @@ -49,5 +50,8 @@ xt::xarray get_node_xarray( return xt::adapt(v, shape); } +Position get_node_position( + pugi::xml_node node, const char* name, bool lowercase = false); + } // namespace openmc #endif // OPENMC_XML_INTERFACE_H diff --git a/openmc/__init__.py b/openmc/__init__.py index cbf4d9ae2..ac9e02e16 100644 --- a/openmc/__init__.py +++ b/openmc/__init__.py @@ -38,4 +38,4 @@ from .config import * from openmc.model import rectangular_prism, hexagonal_prism, Model -__version__ = '0.13.3-dev' +__version__ = '0.13.4-dev' diff --git a/openmc/data/decay.py b/openmc/data/decay.py index d00242438..57327c07f 100644 --- a/openmc/data/decay.py +++ b/openmc/data/decay.py @@ -558,9 +558,9 @@ class Decay(EqualityMixin): raise NotImplementedError("Multiple interpolation regions: {name}, {particle}") interpolation = INTERPOLATION_SCHEME[f.interpolation[0]] if interpolation not in ('histogram', 'linear-linear'): - raise NotImplementedError( + warn( f"Continuous spectra with {interpolation} interpolation " - f"({name}, {particle}) not supported") + f"({name}, {particle}) encountered.") intensity = spectra['continuous_normalization'].n rates = decay_constant * intensity * f.y diff --git a/openmc/data/photon.py b/openmc/data/photon.py index fc5da19eb..e83ff844d 100644 --- a/openmc/data/photon.py +++ b/openmc/data/photon.py @@ -514,13 +514,13 @@ class IncidentPhoton(EqualityMixin): # Read each reaction data = cls(Z) - for mt in (502, 504, 515, 522, 525): + for mt in (502, 504, 517, 522, 525): data.reactions[mt] = PhotonReaction.from_ace(ace, mt) # Get heating cross sections [eV-barn] from factors [eV per collision] # by multiplying with total xs data.reactions[525].xs.y *= sum([data.reactions[mt].xs.y for mt in - (502, 504, 515, 522)]) + (502, 504, 517, 522)]) # Compton profiles n_shell = ace.nxs[5] @@ -1000,7 +1000,7 @@ class PhotonReaction(EqualityMixin): elif mt == 504: # Incoherent scattering idx = ace.jxs[1] + n - elif mt == 515: + elif mt == 517: # Pair production idx = ace.jxs[1] + 4*n elif mt == 522: @@ -1021,6 +1021,9 @@ class PhotonReaction(EqualityMixin): else: nonzero = (xs != 0.0) xs[nonzero] = np.exp(xs[nonzero]) + + # Replace zero elements to small non-zero to enable log-log + xs[~nonzero] = np.exp(-500.0) rx.xs = Tabulated1D(energy, xs, [n], [5]) # Get form factors for incoherent/coherent scattering diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py index e51106544..ec0f65650 100644 --- a/openmc/deplete/helpers.py +++ b/openmc/deplete/helpers.py @@ -15,7 +15,7 @@ from openmc.mpi import comm from openmc.checkvalue import check_type, check_greater_than from openmc.data import JOULE_PER_EV, REACTION_MT from openmc.lib import ( - Tally, MaterialFilter, EnergyFilter, EnergyFunctionFilter) + Tally, MaterialFilter, EnergyFilter, EnergyFunctionFilter, load_nuclide) import openmc.lib from .abc import ( ReactionRateHelper, NormalizationHelper, FissionYieldHelper) @@ -189,7 +189,7 @@ class DirectReactionRateHelper(ReactionRateHelper): def reset_tally_means(self): """Reset the cached mean rate tallies. .. note:: - + This step must be performed after each transport cycle """ self._rate_tally_means_cache = None @@ -306,6 +306,12 @@ class FluxCollapseHelper(ReactionRateHelper): self._rate_tally.filters = [MaterialFilter(materials)] self._rate_tally_means_cache = None if self._nuclides_direct is not None: + # check if any direct tally nuclides are requested that are not + # already loaded with the materials. Load separately if so. + mat_nuclides = {n for mat in materials for n in mat.nuclides} + extra_nuclides = set(self._nuclides_direct) - mat_nuclides + for nuc in extra_nuclides: + load_nuclide(nuc) self._rate_tally.nuclides = self._nuclides_direct @property @@ -327,7 +333,7 @@ class FluxCollapseHelper(ReactionRateHelper): def reset_tally_means(self): """Reset the cached mean rate and flux tallies. .. note:: - + This step must be performed after each transport cycle """ self._flux_tally_means_cache = None diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py index 3602d6918..c9dc19816 100644 --- a/openmc/deplete/results.py +++ b/openmc/deplete/results.py @@ -398,6 +398,8 @@ class Results(list): path : PathLike Path to materials XML file to read. Defaults to 'materials.xml'. + .. versionadded:: 0.13.3 + Returns ------- mat_file : Materials diff --git a/openmc/filter.py b/openmc/filter.py index 3240c9e25..cc7bdd931 100644 --- a/openmc/filter.py +++ b/openmc/filter.py @@ -1349,6 +1349,8 @@ class EnergyFilter(RealFilter): (e.g., a source spectrum) based on tally results that were obtained from using an :class:`~openmc.EnergyFilter`. + .. versionadded:: 0.13.3 + Parameters ---------- values : iterable of float diff --git a/openmc/geometry.py b/openmc/geometry.py index d01826a4d..ad86cc56b 100644 --- a/openmc/geometry.py +++ b/openmc/geometry.py @@ -537,6 +537,8 @@ class Geometry: def get_surfaces_by_name(self, name, case_sensitive=False, matching=False): """Return a list of surfaces with matching names. + .. versionadded:: 0.13.3 + Parameters ---------- name : str diff --git a/openmc/mesh.py b/openmc/mesh.py index 5294b2dd6..f606b8526 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -446,7 +446,7 @@ class RegularMesh(StructuredMesh): if self._width is not None: self._width = None warnings.warn("Unsetting width attribute.") - + if self.lower_left is not None and any(np.isclose(self.lower_left, upper_right)): raise ValueError("Mesh cannot have zero thickness in any dimension") @@ -1050,6 +1050,9 @@ class CylindricalMesh(StructuredMesh): The default value is [0, 2π], i.e. the full phi range. z_grid : numpy.ndarray 1-D array of mesh boundary points along the z-axis. + origin : numpy.ndarray + 1-D array of length 3 the (x,y,z) origin of the mesh in + cartesian coordinates indices : Iterable of tuple An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1), (2, 1, 1), ...] @@ -1062,6 +1065,7 @@ class CylindricalMesh(StructuredMesh): self._r_grid = None self._phi_grid = [0.0, 2*pi] self._z_grid = None + self.origin = (0., 0., 0.) @property def dimension(self): @@ -1073,6 +1077,10 @@ class CylindricalMesh(StructuredMesh): def n_dimension(self): return 3 + @property + def origin(self): + return self._origin + @property def r_grid(self): return self._r_grid @@ -1099,6 +1107,12 @@ class CylindricalMesh(StructuredMesh): for p in range(1, np + 1) for r in range(1, nr + 1)) + @origin.setter + def origin(self, coords): + cv.check_type('mesh origin', coords, Iterable, Real) + cv.check_length("mesh origin", coords, 3) + self._origin = np.asarray(coords) + @r_grid.setter def r_grid(self, grid): cv.check_type('mesh r_grid', grid, Iterable, Real) @@ -1118,6 +1132,7 @@ class CylindricalMesh(StructuredMesh): fmt = '{0: <16}{1}{2}\n' string = super().__repr__() string += fmt.format('\tDimensions', '=\t', self.n_dimension) + string += fmt.format('\tOrigin', '=\t', self.origin) r_grid_str = str(self._r_grid) if self._r_grid is None else len(self._r_grid) string += fmt.format('\tN R pnts:', '=\t', r_grid_str) if self._r_grid is not None: @@ -1144,6 +1159,8 @@ class CylindricalMesh(StructuredMesh): mesh.r_grid = group['r_grid'][()] mesh.phi_grid = group['phi_grid'][()] mesh.z_grid = group['z_grid'][()] + if 'origin' in group: + mesh.origin = group['origin'][()] return mesh @@ -1240,6 +1257,9 @@ class CylindricalMesh(StructuredMesh): subelement = ET.SubElement(element, "z_grid") subelement.text = ' '.join(map(str, self.z_grid)) + subelement = ET.SubElement(element, "origin") + subelement.text = ' '.join(map(str, self.origin)) + return element @classmethod @@ -1263,6 +1283,8 @@ class CylindricalMesh(StructuredMesh): mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()] mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()] mesh.z_grid = [float(x) for x in get_text(elem, "z_grid").split()] + mesh.origin = [float(x) for x in get_text(elem, "origin", default=[0., 0., 0.]).split()] + return mesh @property @@ -1304,12 +1326,13 @@ class CylindricalMesh(StructuredMesh): """ # create points pts_cylindrical = self.vertices.T.reshape(-1, 3) - pts_cartesian = np.copy(pts_cylindrical) - r, phi = pts_cylindrical[:, 0], pts_cylindrical[:, 1] - pts_cartesian[:, 0] = r * np.cos(phi) - pts_cartesian[:, 1] = r * np.sin(phi) + r, phi = pts_cylindrical[:, 0], pts_cylindrical[:, 1] + pts_cartesian[:, 0] = r * np.cos(phi) + self.origin[0] + pts_cartesian[:, 1] = r * np.sin(phi) + self.origin[1] + pts_cartesian[:, 2] += self.origin[2] + return super().write_data_to_vtk( points=pts_cartesian, filename=filename, @@ -1346,6 +1369,9 @@ class SphericalMesh(StructuredMesh): phi_grid : numpy.ndarray 1-D array of mesh boundary points along the phi-axis in radians. The default value is [0, 2π], i.e. the full phi range. + origin : numpy.ndarray + 1-D array of length 3 the (x,y,z) origin of the mesh in + cartesian coordinates indices : Iterable of tuple An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1), (2, 1, 1), ...] @@ -1358,6 +1384,7 @@ class SphericalMesh(StructuredMesh): self._r_grid = None self._theta_grid = [0, pi] self._phi_grid = [0, 2*pi] + self.origin = (0., 0., 0.) @property def dimension(self): @@ -1369,6 +1396,10 @@ class SphericalMesh(StructuredMesh): def n_dimension(self): return 3 + @property + def origin(self): + return self._origin + @property def r_grid(self): return self._r_grid @@ -1395,6 +1426,12 @@ class SphericalMesh(StructuredMesh): for t in range(1, nt + 1) for r in range(1, nr + 1)) + @origin.setter + def origin(self, coords): + cv.check_type('mesh origin', coords, Iterable, Real) + cv.check_length("mesh origin", coords, 3) + self._origin = np.asarray(coords) + @r_grid.setter def r_grid(self, grid): cv.check_type('mesh r_grid', grid, Iterable, Real) @@ -1414,6 +1451,7 @@ class SphericalMesh(StructuredMesh): fmt = '{0: <16}{1}{2}\n' string = super().__repr__() string += fmt.format('\tDimensions', '=\t', self.n_dimension) + string += fmt.format('\tOrigin', '=\t', self.origin) r_grid_str = str(self._r_grid) if self._r_grid is None else len(self._r_grid) string += fmt.format('\tN R pnts:', '=\t', r_grid_str) if self._r_grid is not None: @@ -1440,6 +1478,8 @@ class SphericalMesh(StructuredMesh): mesh.r_grid = group['r_grid'][()] mesh.theta_grid = group['theta_grid'][()] mesh.phi_grid = group['phi_grid'][()] + if 'origin' in group: + mesh.origin = group['origin'][()] return mesh @@ -1466,6 +1506,9 @@ class SphericalMesh(StructuredMesh): subelement = ET.SubElement(element, "phi_grid") subelement.text = ' '.join(map(str, self.phi_grid)) + subelement = ET.SubElement(element, "origin") + subelement.text = ' '.join(map(str, self.origin)) + return element @classmethod @@ -1489,6 +1532,8 @@ class SphericalMesh(StructuredMesh): mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()] mesh.theta_grid = [float(x) for x in get_text(elem, "theta_grid").split()] mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()] + mesh.origin = [float(x) for x in get_text(elem, "origin", default=[0., 0., 0.]).split()] + return mesh @property @@ -1530,12 +1575,13 @@ class SphericalMesh(StructuredMesh): """ # create points pts_spherical = self.vertices.T.reshape(-1, 3) - pts_cartesian = np.copy(pts_spherical) + r, theta, phi = pts_spherical[:, 0], pts_spherical[:, 1], pts_spherical[:, 2] - pts_cartesian[:, 0] = r * np.sin(phi) * np.cos(theta) - pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta) - pts_cartesian[:, 2] = r * np.cos(phi) + + pts_cartesian[:, 0] = r * np.sin(phi) * np.cos(theta) + self.origin[0] + pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta) + self.origin[1] + pts_cartesian[:, 2] = r * np.cos(phi) + self.origin[2] return super().write_data_to_vtk( points=pts_cartesian, diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py index efe8dbe84..8ab052b0d 100644 --- a/openmc/mgxs/library.py +++ b/openmc/mgxs/library.py @@ -72,6 +72,11 @@ class Library: Number of equi-width polar angle bins for angle discretization num_azimuthal : Integral Number of equi-width azimuthal angle bins for angle discretization + nuclides : Iterable of str or 'sum' + The optional user-specified nuclides for which to compute cross + sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides + are not specified by the user, all nuclides in the domain + are included. estimator : str or None The tally estimator used to compute multi-group cross sections. If None, the default for each MGXS type is used. @@ -107,6 +112,7 @@ class Library: self._energy_groups = None self._num_polar = 1 self._num_azimuthal = 1 + self._nuclides = None self._num_delayed_groups = 0 self._correction = 'P0' self._scatter_format = 'legendre' @@ -145,6 +151,7 @@ class Library: clone._energy_groups = copy.deepcopy(self.energy_groups, memo) clone._num_polar = self.num_polar clone._num_azimuthal = self.num_azimuthal + clone._nuclides = self._nuclides clone._num_delayed_groups = self.num_delayed_groups clone._tally_trigger = copy.deepcopy(self.tally_trigger, memo) clone._all_mgxs = copy.deepcopy(self.all_mgxs) @@ -205,6 +212,10 @@ class Library: else: return self._domains + @property + def nuclides(self): + return self._nuclides + @property def energy_groups(self): return self._energy_groups @@ -275,6 +286,11 @@ class Library: cv.check_type('name', name, str) self._name = name + @nuclides.setter + def nuclides(self, nuclides): + cv.check_iterable_type('nuclides', nuclides, str) + self._nuclides = nuclides + @mgxs_types.setter def mgxs_types(self, mgxs_types): all_mgxs_types = openmc.mgxs.MGXS_TYPES + openmc.mgxs.MDGXS_TYPES + \ @@ -524,6 +540,20 @@ class Library: mgxs.legendre_order = self.legendre_order mgxs.histogram_bins = self.histogram_bins + if self.by_nuclide: + try: + domain_nuclides = domain.get_nuclides() + except AttributeError: + domain_nuclides = None + if self.nuclides: + if domain_nuclides: + mgxs.nuclides = [ + nuclide for nuclide in self.nuclides + if nuclide in domain_nuclides + ] + ["total"] + else: + mgxs.nuclides = self.nuclides + self.all_mgxs[domain.id][mgxs_type] = mgxs def add_to_tallies_file(self, tallies_file, merge=True): @@ -590,7 +620,7 @@ class Library: self._sp_filename = statepoint._f.filename self._geometry = statepoint.summary.geometry - self._nuclides = statepoint.summary.nuclides + self._atomic_weight_ratios = statepoint.summary.nuclides if statepoint.run_mode == 'eigenvalue': self._keff = statepoint.keff.n @@ -1005,7 +1035,7 @@ class Library: xsdata.num_azimuthal = self.num_azimuthal if nuclide != 'total': - xsdata.atomic_weight_ratio = self._nuclides[nuclide] + xsdata.atomic_weight_ratio = self._atomic_weight_ratios[nuclide] if subdomain is None: subdomain = 'all' diff --git a/openmc/model/model.py b/openmc/model/model.py index 3e0422eb1..4202cf60b 100644 --- a/openmc/model/model.py +++ b/openmc/model/model.py @@ -596,7 +596,8 @@ class Model: def run(self, particles=None, threads=None, geometry_debug=False, restart_file=None, tracks=False, output=True, cwd='.', - openmc_exec='openmc', mpi_args=None, event_based=None): + openmc_exec='openmc', mpi_args=None, event_based=None, + export_model_xml=True): """Runs OpenMC. If the C API has been initialized, then the C API is used, otherwise, this method creates the XML files and runs OpenMC via a system call. In both cases this method returns the path to the last @@ -639,6 +640,11 @@ class Model: event_based : None or bool, optional Turns on event-based parallelism if True. If None, the value in the Settings will be used. + export_model_xml : bool, optional + Exports a single model.xml file rather than separate files. + Defaults to True. + + .. versionadded:: 0.13.3 Returns ------- @@ -688,7 +694,10 @@ class Model: else: # Then run via the command line - self.export_to_xml() + if export_model_xml: + self.export_to_model_xml() + else: + self.export_to_xml() openmc.run(particles, threads, geometry_debug, restart_file, tracks, output, Path('.'), openmc_exec, mpi_args, event_based) diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py index 002fad9d9..25826723c 100644 --- a/openmc/model/surface_composite.py +++ b/openmc/model/surface_composite.py @@ -632,6 +632,8 @@ class ZConeOneSided(CompositeSurface): class Polygon(CompositeSurface): """Create a polygon composite surface from a path of closed points. + .. versionadded:: 0.13.3 + Parameters ---------- points : np.ndarray @@ -659,21 +661,10 @@ class Polygon(CompositeSurface): def __init__(self, points, basis='rz'): check_value('basis', basis, ('xy', 'yz', 'xz', 'rz')) self._basis = basis - points = np.asarray(points, dtype=float) - check_iterable_type('points', points, float, min_depth=2, max_depth=2) - check_length('points', points[0, :], 2, 2) - # If the last point is the same as the first, remove it and make sure - # there are still at least 3 points for a valid polygon. - if np.allclose(points[0, :], points[-1, :]): - points = points[:-1, :] - check_length('points', points, 3) - - # Order the points counter-clockwise (necessary for offset method) - self._points = self._make_ccw(points) - - # Create a triangulation of the points. - self._tri = Delaunay(self._points, qhull_options='QJ') + # Create a constrained triangulation of the validated points. + # The constrained triangulation is set to the _tri attribute + self._constrain_triangulation(self._validate_points(points)) # Decompose the polygon into groups of simplices forming convex subsets # and get the sets of (surface, operator) pairs defining the polygon @@ -723,7 +714,7 @@ class Polygon(CompositeSurface): @property def points(self): - return self._points + return self._tri.points @property def basis(self): @@ -738,7 +729,7 @@ class Polygon(CompositeSurface): # Get the unit vectors that point from one point in the polygon to the # next given that they are ordered counterclockwise and that the final # point is connected to the first point - tangents = np.diff(self._points, axis=0, append=[self._points[0, :]]) + tangents = np.diff(self.points, axis=0, append=[self.points[0, :]]) tangents /= np.linalg.norm(tangents, axis=-1, keepdims=True) # Rotate the tangent vectors clockwise by 90 degrees, which for a # counter-clockwise ordered polygon will produce the outward normal @@ -761,8 +752,9 @@ class Polygon(CompositeSurface): def region(self): return self._region - def _make_ccw(self, points): - """Order a set of points counter-clockwise. + def _validate_points(self, points): + """Ensure the closed path defined by points does not intersect and is + oriented counter-clockwise. Parameters ---------- @@ -773,15 +765,145 @@ class Polygon(CompositeSurface): ------- ordered_points : the input points ordered counter-clockwise """ + points = np.asarray(points, dtype=float) + check_iterable_type('points', points, float, min_depth=2, max_depth=2) + check_length('points', points[0, :], 2, 2) + + # If the last point is the same as the first, remove it and make sure + # there are still at least 3 points for a valid polygon. + if np.allclose(points[0, :], points[-1, :]): + points = points[:-1, :] + check_length('points', points, 3) + + if len(points) != len(np.unique(points, axis=0)): + raise ValueError('Duplicate points were detected in the Polygon input') + + # Order the points counter-clockwise (necessary for offset method) # Calculates twice the signed area of the polygon using the "Shoelace # Formula" https://en.wikipedia.org/wiki/Shoelace_formula + # If signed area is positive the curve is oriented counter-clockwise. + # If the signed area is negative the curve is oriented clockwise. xpts, ypts = points.T + if np.sum(ypts*(np.roll(xpts, 1) - np.roll(xpts, -1))) < 0: + points = points[::-1, :] - # If signed area is positive the curve is oriented counter-clockwise - if np.sum(ypts*(np.roll(xpts, 1) - np.roll(xpts, -1))) > 0: - return points + # Check if polygon is self-intersecting by comparing edges pairwise + n = len(points) + for i in range(n): + p0 = points[i, :] + p1 = points[(i + 1) % n, :] + for j in range(i + 1, n): + p2 = points[j, :] + p3 = points[(j + 1) % n, :] + # Compute orientation of p0 wrt p2->p3 line segment + cp0 = np.cross(p3-p0, p2-p0) + # Compute orientation of p1 wrt p2->p3 line segment + cp1 = np.cross(p3-p1, p2-p1) + # Compute orientation of p2 wrt p0->p1 line segment + cp2 = np.cross(p1-p2, p0-p2) + # Compute orientation of p3 wrt p0->p1 line segment + cp3 = np.cross(p1-p3, p0-p3) - return points[::-1, :] + # Group cross products in an array and find out how many are 0 + cross_products = np.array([[cp0, cp1], [cp2, cp3]]) + cps_near_zero = np.isclose(cross_products, 0).astype(int) + num_zeros = np.sum(cps_near_zero) + + # Topologies of 2 finite line segments categorized by the number + # of zero-valued cross products: + # + # 0: No 3 points lie on the same line + # 1: 1 point lies on the same line defined by the other line + # segment, but is not coincident with either of the points + # 2: 2 points are coincident, but the line segments are not + # collinear which guarantees no intersection + # 3: not possible, except maybe floating point issues? + # 4: Both line segments are collinear, simply need to check if + # they overlap or not + # adapted from algorithm linked below and modified to only + # consider intersections on the interior of line segments as + # proper intersections: i.e. segments sharing end points do not + # count as intersections. + # https://www.geeksforgeeks.org/check-if-two-given-line-segments-intersect/ + + if num_zeros == 0: + # If the orientations of p0 and p1 have opposite signs + # and the orientations of p2 and p3 have opposite signs + # then there is an intersection. + if all(np.prod(cross_products, axis=-1) < 0): + raise ValueError('Polygon cannot be self-intersecting') + continue + + elif num_zeros == 1: + # determine which line segment has 2 out of the 3 collinear + # points + idx = np.argwhere(np.sum(cps_near_zero, axis=-1) == 0) + if np.prod(cross_products[idx, :]) < 0: + raise ValueError('Polygon cannot be self-intersecting') + continue + + elif num_zeros == 2: + continue + + elif num_zeros == 3: + warnings.warn('Unclear if Polygon is self-intersecting') + continue + + else: + # All 4 cross products are zero + # Determine number of unique points, x span and y span for + # both line segments + xmin1, xmax1 = min(p0[0], p1[0]), max(p0[0], p1[0]) + ymin1, ymax1 = min(p0[1], p1[1]), max(p0[1], p1[1]) + xmin2, xmax2 = min(p2[0], p3[0]), max(p2[0], p3[0]) + ymin2, ymax2 = min(p2[1], p3[1]), max(p2[1], p3[1]) + xlap = xmin1 < xmax2 and xmin2 < xmax1 + ylap = ymin1 < ymax2 and ymin2 < ymax1 + if xlap or ylap: + raise ValueError('Polygon cannot be self-intersecting') + continue + + return points + + def _constrain_triangulation(self, points, depth=0): + """Generate a constrained triangulation by ensuring all edges of the + Polygon are contained within the simplices. + + Parameters + ---------- + points : np.ndarray (Nx2) + An Nx2 array of coordinate pairs describing the vertices. These + points represent a planar straight line graph. + + Returns + ------- + None + """ + # Only attempt the triangulation up to 3 times. + if depth > 2: + raise RuntimeError('Could not create a valid triangulation after 3' + ' attempts') + + tri = Delaunay(points, qhull_options='QJ') + # Loop through the boundary edges of the polygon. If an edge is not + # included in the triangulation, break it into two line segments. + n = len(points) + new_pts = [] + for i, j in zip(range(n), range(1, n +1)): + # If both vertices of any edge are not found in any simplex, insert + # a new point between them. + if not any([i in s and j % n in s for s in tri.simplices]): + newpt = (points[i, :] + points[j % n, :]) / 2 + new_pts.append((j, newpt)) + + # If all the edges are included in the triangulation set it, otherwise + # try again with additional points inserted on offending edges. + if not new_pts: + self._tri = tri + else: + for i, pt in new_pts[::-1]: + points = np.insert(points, i, pt, axis=0) + self._constrain_triangulation(points, depth=depth + 1) def _group_simplices(self, neighbor_map, group=None): """Generate a convex grouping of simplices. @@ -807,7 +929,7 @@ class Polygon(CompositeSurface): if group is None: sidx = next(iter(neighbor_map)) return self._group_simplices(neighbor_map, group=[sidx]) - # Otherwise use the last simplex in the group + # Otherwise use the last simplex in the group else: sidx = group[-1] # Remove current simplex from dictionary since it is in a group @@ -819,7 +941,7 @@ class Polygon(CompositeSurface): continue test_group = group + [n] test_point_idx = np.unique(self._tri.simplices[test_group, :]) - test_points = self._tri.points[test_point_idx] + test_points = self.points[test_point_idx] # If test_points are convex keep adding to this group if len(test_points) == len(ConvexHull(test_points).vertices): group = self._group_simplices(neighbor_map, group=test_group) @@ -902,8 +1024,8 @@ class Polygon(CompositeSurface): # Get centroids of all the simplices and determine if they are inside # the polygon defined by input vertices or not. - centroids = np.mean(self._points[self._tri.simplices], axis=1) - in_polygon = Path(self._points).contains_points(centroids) + centroids = np.mean(self.points[self._tri.simplices], axis=1) + in_polygon = Path(self.points).contains_points(centroids) self._in_polygon = in_polygon # Build a map with keys of simplex indices inside the polygon whose @@ -931,7 +1053,7 @@ class Polygon(CompositeSurface): # generate the convex hull and find the resulting surfaces and # unary operators that represent this convex subset of the polygon. idx = np.unique(self._tri.simplices[group, :]) - qhull = ConvexHull(self._tri.points[idx, :]) + qhull = ConvexHull(self.points[idx, :]) surf_ops = self._get_convex_hull_surfs(qhull) surfsets.append(surf_ops) return surfsets diff --git a/openmc/plots.py b/openmc/plots.py index 0a0451625..4b7d58e3b 100644 --- a/openmc/plots.py +++ b/openmc/plots.py @@ -683,11 +683,11 @@ class Plot(IDManagerMixin): if self._meshlines is not None: subelement = ET.SubElement(element, "meshlines") subelement.set("meshtype", self._meshlines['type']) - if self._meshlines['id'] is not None: + if 'id' in self._meshlines: subelement.set("id", str(self._meshlines['id'])) - if self._meshlines['linewidth'] is not None: + if 'linewidth' in self._meshlines: subelement.set("linewidth", str(self._meshlines['linewidth'])) - if self._meshlines['color'] is not None: + if 'color' in self._meshlines: subelement.set("color", ' '.join(map( str, self._meshlines['color']))) diff --git a/openmc/plotter.py b/openmc/plotter.py index e2d18d085..a37b6f042 100644 --- a/openmc/plotter.py +++ b/openmc/plotter.py @@ -53,16 +53,19 @@ _MIN_E = 1.e-5 _MAX_E = 20.e6 -def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None, - axis=None, sab_name=None, ce_cross_sections=None, - mg_cross_sections=None, enrichment=None, plot_CE=True, orders=None, - divisor_orders=None, **kwargs): +ELEMENT_NAMES = list(openmc.data.ELEMENT_SYMBOL.values())[1:] + + +def plot_xs(this, types, divisor_types=None, temperature=294., axis=None, + sab_name=None, ce_cross_sections=None, mg_cross_sections=None, + enrichment=None, plot_CE=True, orders=None, divisor_orders=None, + **kwargs): """Creates a figure of continuous-energy cross sections for this item. Parameters ---------- this : str or openmc.Material - Object to source data from + Object to source data from. Nuclides and elements can be input as a str types : Iterable of values of PLOT_TYPES The type of cross sections to include in the plot. divisor_types : Iterable of values of PLOT_TYPES, optional @@ -74,23 +77,18 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None, temperature of 294K will be plotted. Note that the nearest temperature in the library for each nuclide will be used as opposed to using any interpolation. - data_type : {'nuclide', 'element', 'material', 'macroscopic'}, optional - Type of object to plot. If not specified, a guess is made based on the - `this` argument. axis : matplotlib.axes, optional A previously generated axis to use for plotting. If not specified, a new axis and figure will be generated. sab_name : str, optional - Name of S(a,b) library to apply to MT=2 data when applicable; only used - for items which are instances of openmc.Element or openmc.Nuclide + Name of S(a,b) library to apply to MT=2 data when applicable. ce_cross_sections : str, optional Location of cross_sections.xml file. Default is None. mg_cross_sections : str, optional Location of MGXS HDF5 Library file. Default is None. enrichment : float, optional Enrichment for U235 in weight percent. For example, input 4.95 for - 4.95 weight percent enriched U. Default is None. This is only used for - items which are instances of openmc.Element + 4.95 weight percent enriched U. Default is None. plot_CE : bool, optional Denotes whether or not continuous-energy will be plotted. Defaults to plotting the continuous-energy data. @@ -101,7 +99,7 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None, multi-group data. divisor_orders : Iterable of Integral, optional Same as orders, but for divisor_types - **kwargs + **kwargs : All keyword arguments are passed to :func:`matplotlib.pyplot.figure`. @@ -117,27 +115,11 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None, import matplotlib.pyplot as plt cv.check_type("plot_CE", plot_CE, bool) - - if data_type is None: - if isinstance(this, openmc.Nuclide): - data_type = 'nuclide' - elif isinstance(this, openmc.Element): - data_type = 'element' - elif isinstance(this, openmc.Material): - data_type = 'material' - elif isinstance(this, openmc.Macroscopic): - data_type = 'macroscopic' - elif isinstance(this, str): - if this[-1] in string.digits: - data_type = 'nuclide' - else: - data_type = 'element' - else: - raise TypeError("Invalid type for plotting") + cv.check_type("this", this, (str, openmc.Material)) if plot_CE: # Calculate for the CE cross sections - E, data = calculate_cexs(this, data_type, types, temperature, sab_name, + E, data = calculate_cexs(this, types, temperature, sab_name, ce_cross_sections, enrichment) if divisor_types: cv.check_length('divisor types', divisor_types, len(types)) @@ -160,13 +142,13 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None, data = data_new else: # Calculate for MG cross sections - E, data = calculate_mgxs(this, data_type, types, orders, temperature, + E, data = calculate_mgxs(this, types, orders, temperature, mg_cross_sections, ce_cross_sections, enrichment) if divisor_types: cv.check_length('divisor types', divisor_types, len(types)) - Ediv, data_div = calculate_mgxs(this, data_type, divisor_types, + Ediv, data_div = calculate_mgxs(this, divisor_types, divisor_orders, temperature, mg_cross_sections, ce_cross_sections, enrichment) @@ -179,7 +161,7 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None, # Generate the plot if axis is None: - fig, ax = plt.subplots() + fig, ax = plt.subplots(**kwargs) else: fig = None ax = axis @@ -201,23 +183,30 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None, ax.set_xlim(_MIN_E, _MAX_E) else: ax.set_xlim(E[-1], E[0]) + if divisor_types: - if data_type == 'nuclide': - ylabel = 'Nuclidic Microscopic Data' - elif data_type == 'element': - ylabel = 'Elemental Microscopic Data' - elif data_type == 'material' or data_type == 'macroscopic': + if isinstance(this, str): + if this in ELEMENT_NAMES: + ylabel = 'Elemental Microscopic Data' + else: + ylabel = 'Nuclide Microscopic Data' + elif isinstance(this, openmc.Material): ylabel = 'Macroscopic Data' + else: + raise TypeError("Invalid type for plotting") else: - if data_type == 'nuclide': - ylabel = 'Microscopic Cross Section [b]' - elif data_type == 'element': - ylabel = 'Elemental Cross Section [b]' - elif data_type == 'material' or data_type == 'macroscopic': + if isinstance(this, str): + if this in ELEMENT_NAMES: + ylabel = 'Elemental Cross Section [b]' + else: + ylabel = 'Microscopic Cross Section [b]' + elif isinstance(this, openmc.Material): ylabel = 'Macroscopic Cross Section [1/cm]' + else: + raise TypeError("Invalid type for plotting") ax.set_ylabel(ylabel) ax.legend(loc='best') - name = this.name if data_type == 'material' else this + name = this.name if isinstance(this, openmc.Material) else this if len(types) > 1: ax.set_title('Cross Sections for ' + name) else: @@ -226,16 +215,15 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None, return fig -def calculate_cexs(this, data_type, types, temperature=294., sab_name=None, +def calculate_cexs(this, types, temperature=294., sab_name=None, cross_sections=None, enrichment=None): """Calculates continuous-energy cross sections of a requested type. Parameters ---------- - this : {str, openmc.Nuclide, openmc.Element, openmc.Material} - Object to source data from - data_type : {'nuclide', 'element', 'material'} - Type of object to plot + this : str or openmc.Material + Object to source data from. Nuclides and elements should be input as a + str types : Iterable of values of PLOT_TYPES The type of cross sections to calculate temperature : float, optional @@ -262,39 +250,33 @@ def calculate_cexs(this, data_type, types, temperature=294., sab_name=None, """ # Check types + cv.check_type('this', this, (str, openmc.Material)) cv.check_type('temperature', temperature, Real) if sab_name: cv.check_type('sab_name', sab_name, str) if enrichment: cv.check_type('enrichment', enrichment, Real) - if data_type == 'nuclide': - if isinstance(this, str): - nuc = openmc.Nuclide(this) + if isinstance(this, str): + if this in ELEMENT_NAMES: + energy_grid, data = _calculate_cexs_elem_mat( + this, types, temperature, cross_sections, sab_name, enrichment + ) + else: - nuc = this - energy_grid, xs = _calculate_cexs_nuclide(nuc, types, temperature, - sab_name, cross_sections) - # Convert xs (Iterable of Callable) to a grid of cross section values - # calculated on the points in energy_grid for consistency with the - # element and material functions. - data = np.zeros((len(types), len(energy_grid))) - for line in range(len(types)): - data[line, :] = xs[line](energy_grid) - elif data_type == 'element': - if isinstance(this, str): - elem = openmc.Element(this) - else: - elem = this - energy_grid, data = _calculate_cexs_elem_mat(elem, types, temperature, - cross_sections, sab_name, - enrichment) - elif data_type == 'material': - cv.check_type('this', this, openmc.Material) + energy_grid, xs = _calculate_cexs_nuclide( + this, types, temperature, sab_name, cross_sections + ) + + # Convert xs (Iterable of Callable) to a grid of cross section values + # calculated on the points in energy_grid for consistency with the + # element and material functions. + data = np.zeros((len(types), len(energy_grid))) + for line in range(len(types)): + data[line, :] = xs[line](energy_grid) + else: energy_grid, data = _calculate_cexs_elem_mat(this, types, temperature, cross_sections) - else: - raise TypeError("Invalid type") return energy_grid, data @@ -305,7 +287,7 @@ def _calculate_cexs_nuclide(this, types, temperature=294., sab_name=None, Parameters ---------- - this : openmc.Nuclide + this : str Nuclide object to source data from types : Iterable of str or Integral The type of cross sections to calculate; values can either be those @@ -502,8 +484,8 @@ def _calculate_cexs_elem_mat(this, types, temperature=294., Parameters ---------- - this : openmc.Material or openmc.Element - Object to source data from + this : openmc.Material or str + Object to source data from. Element can be input as str types : Iterable of values of PLOT_TYPES The type of cross sections to calculate temperature : float, optional @@ -544,18 +526,16 @@ def _calculate_cexs_elem_mat(this, types, temperature=294., # Expand elements in to nuclides with atomic densities nuc_fractions = this.get_nuclide_atom_densities() # Create a dict of [nuclide name] = nuclide object to carry forward - # with a common nuclides format between openmc.Material and - # openmc.Element objects + # with a common nuclides format between openmc.Material and Elements nuclides = {nuclide: nuclide for nuclide in nuc_fractions} else: # Expand elements in to nuclides with atomic densities - nuclides = this.expand(1., 'ao', enrichment=enrichment, + nuclides = openmc.Element(this).expand(1., 'ao', enrichment=enrichment, cross_sections=cross_sections) # For ease of processing split out the nuclide and its fraction nuc_fractions = {nuclide[0]: nuclide[1] for nuclide in nuclides} # Create a dict of [nuclide name] = nuclide object to carry forward - # with a common nuclides format between openmc.Material and - # openmc.Element objects + # with a common nuclides format between openmc.Material and Elements nuclides = {nuclide[0]: nuclide[0] for nuclide in nuclides} # Identify the nuclides which have S(a,b) data @@ -583,8 +563,7 @@ def _calculate_cexs_elem_mat(this, types, temperature=294., name = nuclide[0] nuc = nuclide[1] sab_tab = sabs[name] - temp_E, temp_xs = calculate_cexs(nuc, 'nuclide', types, T, sab_tab, - cross_sections) + temp_E, temp_xs = calculate_cexs(nuc, types, T, sab_tab, cross_sections) E.append(temp_E) # Since the energy grids are different, store the cross sections as # a tabulated function so they can be calculated on any grid needed. @@ -611,7 +590,7 @@ def _calculate_cexs_elem_mat(this, types, temperature=294., return energy_grid, data -def calculate_mgxs(this, data_type, types, orders=None, temperature=294., +def calculate_mgxs(this, types, orders=None, temperature=294., cross_sections=None, ce_cross_sections=None, enrichment=None): """Calculates multi-group cross sections of a requested type. @@ -623,9 +602,7 @@ def calculate_mgxs(this, data_type, types, orders=None, temperature=294., Parameters ---------- this : str or openmc.Material - Object to source data from - data_type : {'nuclide', 'element', 'material', 'macroscopic'} - Type of object to plot + Object to source data from. Nuclides and elements can be input as a str types : Iterable of values of PLOT_TYPES_MGXS The type of cross sections to calculate orders : Iterable of Integral, optional @@ -641,7 +618,6 @@ def calculate_mgxs(this, data_type, types, orders=None, temperature=294., Location of MGXS HDF5 Library file. Default is None. ce_cross_sections : str, optional Location of continuous-energy cross_sections.xml file. Default is None. - This is used only for expanding an openmc.Element object passed as this enrichment : float, optional Enrichment for U235 in weight percent. For example, input 4.95 for 4.95 weight percent enriched U. Default is None @@ -665,13 +641,13 @@ def calculate_mgxs(this, data_type, types, orders=None, temperature=294., cv.check_type("cross_sections", cross_sections, str) library = openmc.MGXSLibrary.from_hdf5(cross_sections) - if data_type in ('nuclide', 'macroscopic'): - mgxs = _calculate_mgxs_nuc_macro(this, types, library, orders, - temperature) - elif data_type in ('element', 'material'): + if this in ELEMENT_NAMES or isinstance(this, openmc.Material): mgxs = _calculate_mgxs_elem_mat(this, types, library, orders, temperature, ce_cross_sections, enrichment) + elif isinstance(this, str): + mgxs = _calculate_mgxs_nuc_macro(this, types, library, orders, + temperature) else: raise TypeError("Invalid type") @@ -703,7 +679,7 @@ def _calculate_mgxs_nuc_macro(this, types, library, orders=None, Parameters ---------- - this : openmc.Nuclide or openmc.Macroscopic + this : str Object to source data from types : Iterable of str The type of cross sections to calculate; values can either be those @@ -841,8 +817,8 @@ def _calculate_mgxs_elem_mat(this, types, library, orders=None, Parameters ---------- - this : openmc.Element or openmc.Material - Object to source data from + this : str or openmc.Material + Object to source data from. Elements can be input as a str types : Iterable of str The type of cross sections to calculate; values can either be those in openmc.PLOT_TYPES_MGXS @@ -891,7 +867,7 @@ def _calculate_mgxs_elem_mat(this, types, library, orders=None, else: T = temperature # Expand elements in to nuclides with atomic densities - nuclides = this.expand(100., 'ao', enrichment=enrichment, + nuclides = openmc.Element(this).expand(100., 'ao', enrichment=enrichment, cross_sections=ce_cross_sections) # For ease of processing split out nuc and nuc_fractions diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py index 64627a4e1..240f13d14 100644 --- a/openmc/stats/univariate.py +++ b/openmc/stats/univariate.py @@ -834,10 +834,6 @@ class Tabular(Univariate): self._interpolation = interpolation def cdf(self): - if not self.interpolation in ('histogram', 'linear-linear'): - raise NotImplementedError('Can only generate CDFs for tabular ' - 'distributions using histogram or ' - 'linear-linear interpolation') c = np.zeros_like(self.x) x = self.x p = self.p @@ -846,15 +842,16 @@ class Tabular(Univariate): c[1:] = p[:-1] * np.diff(x) elif self.interpolation == 'linear-linear': c[1:] = 0.5 * (p[:-1] + p[1:]) * np.diff(x) + else: + raise NotImplementedError('Can only generate CDFs for tabular ' + 'distributions using histogram or ' + 'linear-linear interpolation') + return np.cumsum(c) def mean(self): """Compute the mean of the tabular distribution""" - if not self.interpolation in ('histogram', 'linear-linear'): - raise NotImplementedError('Can only compute mean for tabular ' - 'distributions using histogram ' - 'or linear-linear interpolation.') if self.interpolation == 'linear-linear': mean = 0.0 for i in range(1, len(self.x)): @@ -875,6 +872,10 @@ class Tabular(Univariate): x_r = self.x[1:] p_l = self.p[:-1] mean = (0.5 * (x_l + x_r) * (x_r - x_l) * p_l).sum() + else: + raise NotImplementedError('Can only compute mean for tabular ' + 'distributions using histogram ' + 'or linear-linear interpolation.') # Normalize for when integral of distribution is not 1 mean /= self.integral() @@ -886,10 +887,6 @@ class Tabular(Univariate): self.p /= self.cdf().max() def sample(self, n_samples=1, seed=None): - if not self.interpolation in ('histogram', 'linear-linear'): - raise NotImplementedError('Can only sample tabular distributions ' - 'using histogram or ' - 'linear-linear interpolation') np.random.seed(seed) xi = np.random.rand(n_samples) @@ -942,6 +939,11 @@ class Tabular(Univariate): m[non_zero] = x_i[non_zero] + (np.sqrt(quad) - p_i[non_zero]) / m[non_zero] samples_out = m + else: + raise NotImplementedError('Can only sample tabular distributions ' + 'using histogram or ' + 'linear-linear interpolation') + assert all(samples_out < self.x[-1]) return samples_out diff --git a/openmc/tallies.py b/openmc/tallies.py index 688369de0..1a27e1bd4 100644 --- a/openmc/tallies.py +++ b/openmc/tallies.py @@ -1436,6 +1436,8 @@ class Tally(IDManagerMixin): dimensions. This will result in more than one dimension per filter for the returned data array. + .. versionadded:: 0.13.3 + Returns ------- numpy.ndarray diff --git a/setup.py b/setup.py index a9e863da2..29c129d7b 100755 --- a/setup.py +++ b/setup.py @@ -58,6 +58,7 @@ kwargs = { 'Programming Language :: Python :: 3.8', 'Programming Language :: Python :: 3.9', 'Programming Language :: Python :: 3.10', + 'Programming Language :: Python :: 3.11', ], # Dependencies diff --git a/src/cell.cpp b/src/cell.cpp index 9ba14c6cf..c96abf39b 100644 --- a/src/cell.cpp +++ b/src/cell.cpp @@ -291,7 +291,7 @@ CSGCell::CSGCell(pugi::xml_node cell_node) if (fill_present) { fill_ = std::stoi(get_node_value(cell_node, "fill")); if (fill_ == universe_) { - fatal_error(fmt::format("Cell {} is filled with the same universe that" + fatal_error(fmt::format("Cell {} is filled with the same universe that " "it is contained in.", id_)); } diff --git a/src/distribution.cpp b/src/distribution.cpp index 4b4ebd69d..10d404c10 100644 --- a/src/distribution.cpp +++ b/src/distribution.cpp @@ -19,32 +19,31 @@ namespace openmc { //============================================================================== -// Discrete implementation +// DiscreteIndex implementation //============================================================================== -Discrete::Discrete(pugi::xml_node node) +DiscreteIndex::DiscreteIndex(pugi::xml_node node) { auto params = get_node_array(node, "parameters"); + std::size_t n = params.size() / 2; - std::size_t n = params.size(); - std::vector x_vec(params.begin(), params.begin() + n / 2); - std::vector p_vec(params.begin() + n / 2, params.end()); - - this->init_alias(x_vec, p_vec); + assign(params.data() + n, n); } -Discrete::Discrete(const double* x, const double* p, int n) +DiscreteIndex::DiscreteIndex(const double* p, int n) { - std::vector x_vec(x, x + n); - std::vector p_vec(p, p + n); - - this->init_alias(x_vec, p_vec); + assign(p, n); } -void Discrete::init_alias(vector& x, vector& p) +void DiscreteIndex::assign(const double* p, int n) +{ + prob_.assign(p, p + n); + + this->init_alias(); +} + +void DiscreteIndex::init_alias() { - x_ = x; - prob_ = p; normalize(); // The initialization and sampling method is based on Vose @@ -53,13 +52,14 @@ void Discrete::init_alias(vector& x, vector& p) vector large; vector small; + size_t n = prob_.size(); + // Set and allocate memory - vector alias(x_.size(), 0); - alias_ = alias; + alias_.assign(n, 0); // Fill large and small vectors based on 1/n - for (size_t i = 0; i < x_.size(); i++) { - prob_[i] *= x_.size(); + for (size_t i = 0; i < n; i++) { + prob_[i] *= n; if (prob_[i] > 1.0) { large.push_back(i); } else { @@ -86,23 +86,23 @@ void Discrete::init_alias(vector& x, vector& p) } } -double Discrete::sample(uint64_t* seed) const +size_t DiscreteIndex::sample(uint64_t* seed) const { // Alias sampling of discrete distribution - int n = x_.size(); + size_t n = prob_.size(); if (n > 1) { - int u = prn(seed) * n; + size_t u = prn(seed) * n; if (prn(seed) < prob_[u]) { - return x_[u]; + return u; } else { - return x_[alias_[u]]; + return alias_[u]; } } else { - return x_[0]; + return 0; } } -void Discrete::normalize() +void DiscreteIndex::normalize() { // Renormalize density function so that it sums to unity double norm = std::accumulate(prob_.begin(), prob_.end(), 0.0); @@ -111,6 +111,30 @@ void Discrete::normalize() } } +//============================================================================== +// Discrete implementation +//============================================================================== + +Discrete::Discrete(pugi::xml_node node) : di_(node) +{ + auto params = get_node_array(node, "parameters"); + + std::size_t n = params.size() / 2; + + x_.assign(params.begin(), params.begin() + n); +} + +Discrete::Discrete(const double* x, const double* p, int n) : di_(p, n) +{ + + x_.assign(x, x + n); +} + +double Discrete::sample(uint64_t* seed) const +{ + return x_[di_.sample(seed)]; +} + //============================================================================== // Uniform implementation //============================================================================== diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index fb1fbf099..e1a4c20c2 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -210,16 +210,11 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) } int32_t n_bins = this->n_sources(); - std::vector strengths(n_bins, 0.0); - - mesh_CDF_.resize(n_bins + 1); - mesh_CDF_[0] = {0.0}; - total_strength_ = 0.0; + std::vector strengths(n_bins, 1.0); // Create cdfs for sampling for an element over a mesh // Volume scheme is weighted by the volume of each tet // File scheme is weighted by an array given in the xml file - mesh_strengths_ = std::vector(n_bins, 1.0); if (check_for_node(node, "strengths")) { strengths = get_node_array(node, "strengths"); if (strengths.size() != n_bins) { @@ -228,36 +223,21 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) "not match the number of entities in mesh {} ({}).", strengths.size(), mesh_id, n_bins)); } - mesh_strengths_ = std::move(strengths); } if (get_node_value_bool(node, "volume_normalized")) { for (int i = 0; i < n_bins; i++) { - mesh_strengths_[i] *= mesh()->volume(i); + strengths[i] *= mesh()->volume(i); } } - total_strength_ = - std::accumulate(mesh_strengths_.begin(), mesh_strengths_.end(), 0.0); - - for (int i = 0; i < n_bins; i++) { - mesh_CDF_[i + 1] = mesh_CDF_[i] + mesh_strengths_[i] / total_strength_; - } - - if (fabs(mesh_CDF_.back() - 1.0) > FP_COINCIDENT) { - fatal_error( - fmt::format("Mesh sampling CDF is incorrectly formed. Final value is: {}", - mesh_CDF_.back())); - } - mesh_CDF_.back() = 1.0; + elem_idx_dist_.assign(strengths.data(), n_bins); } Position MeshSpatial::sample(uint64_t* seed) const { - // Create random variable for sampling element from mesh - double eta = prn(seed); // Sample over the CDF defined in initialization above - int32_t elem_idx = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta); + int32_t elem_idx = elem_idx_dist_.sample(seed); return mesh()->sample(seed, elem_idx); } diff --git a/src/material.cpp b/src/material.cpp index 74a8d7e35..82dd0d4d9 100644 --- a/src/material.cpp +++ b/src/material.cpp @@ -353,6 +353,35 @@ Material::~Material() model::material_map.erase(id_); } +Material & Material::clone() +{ + std::unique_ptr mat = std::make_unique(); + + // set all other parameters to whatever the calling Material has + mat->name_ = name_; + mat->nuclide_ = nuclide_; + mat->element_ = element_; + mat->ncrystal_mat_ = ncrystal_mat_; + mat->atom_density_ = atom_density_; + mat->density_ = density_; + mat->density_gpcc_ = density_gpcc_; + mat->volume_ = volume_; + mat->fissionable_ = fissionable_; + mat->depletable_ = depletable_; + mat->p0_ = p0_; + mat->mat_nuclide_index_ = mat_nuclide_index_; + mat->thermal_tables_ = thermal_tables_; + mat->temperature_ = temperature_; + + if (ttb_) + mat->ttb_ = std::make_unique(*ttb_); + + mat->index_ = model::materials.size(); + mat->set_id(C_NONE); + model::materials.push_back(std::move(mat)); + return *model::materials.back(); +} + void Material::finalize() { // Set fissionable if any nuclide is fissionable diff --git a/src/mesh.cpp b/src/mesh.cpp index 121ca1f8a..e72a5cf7d 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -467,7 +467,6 @@ template void StructuredMesh::raytrace_mesh( Position r0, Position r1, const Direction& u, T tally) const { - // TODO: when c++-17 is available, use "if constexpr ()" to compile-time // enable/disable tally calls for now, T template type needs to provide both // surface and track methods, which might be empty. modern optimizing @@ -500,6 +499,12 @@ void StructuredMesh::raytrace_mesh( return; } + // translate start and end positions, + // this needs to come after the get_indices call because it does its own + // translation + local_coords(r0); + local_coords(r1); + // Calculate initial distances to next surfaces in all three dimensions std::array distances; for (int k = 0; k < n; ++k) { @@ -1003,13 +1008,15 @@ void RectilinearMesh::to_hdf5(hid_t group) const // CylindricalMesh implementation //============================================================================== -CylindricalMesh::CylindricalMesh(pugi::xml_node node) : StructuredMesh {node} +CylindricalMesh::CylindricalMesh(pugi::xml_node node) + : PeriodicStructuredMesh {node} { n_dimension_ = 3; grid_[0] = get_node_array(node, "r_grid"); grid_[1] = get_node_array(node, "phi_grid"); grid_[2] = get_node_array(node, "z_grid"); + origin_ = get_node_position(node, "origin"); if (int err = set_grid()) { fatal_error(openmc_err_msg); @@ -1026,10 +1033,12 @@ std::string CylindricalMesh::get_mesh_type() const StructuredMesh::MeshIndex CylindricalMesh::get_indices( Position r, bool& in_mesh) const { - Position mapped_r; + local_coords(r); + Position mapped_r; mapped_r[0] = std::hypot(r.x, r.y); mapped_r[2] = r[2]; + if (mapped_r[0] < FP_PRECISION) { mapped_r[1] = 0.0; } else { @@ -1057,6 +1066,9 @@ double CylindricalMesh::find_r_crossing( // s^2 * (u^2 + v^2) + 2*s*(u*x+v*y) + x^2+y^2-r0^2 = 0 const double r0 = grid_[0][shell]; + if (r0 == 0.0) + return INFTY; + const double denominator = u.x * u.x + u.y * u.y; // Direction of flight is in z-direction. Will never intersect r. @@ -1067,7 +1079,8 @@ double CylindricalMesh::find_r_crossing( const double inv_denominator = 1.0 / denominator; const double p = (u.x * r.x + u.y * r.y) * inv_denominator; - double D = p * p + (r0 * r0 - r.x * r.x - r.y * r.y) * inv_denominator; + double c = r.x * r.x + r.y * r.y - r0 * r0; + double D = p * p - c * inv_denominator; if (D < 0.0) return INFTY; @@ -1075,6 +1088,9 @@ double CylindricalMesh::find_r_crossing( D = std::sqrt(D); // the solution -p - D is always smaller as -p + D : Check this one first + if (std::abs(c) <= RADIAL_MESH_TOL) + return INFTY; + if (-p - D > l) return -p - D; if (-p + D > l) @@ -1141,22 +1157,23 @@ StructuredMesh::MeshDistance CylindricalMesh::distance_to_grid_boundary( const MeshIndex& ijk, int i, const Position& r0, const Direction& u, double l) const { + Position r = r0 - origin_; if (i == 0) { return std::min( - MeshDistance(ijk[i] + 1, true, find_r_crossing(r0, u, l, ijk[i])), - MeshDistance(ijk[i] - 1, false, find_r_crossing(r0, u, l, ijk[i] - 1))); + MeshDistance(ijk[i] + 1, true, find_r_crossing(r, u, l, ijk[i])), + MeshDistance(ijk[i] - 1, false, find_r_crossing(r, u, l, ijk[i] - 1))); } else if (i == 1) { return std::min(MeshDistance(sanitize_phi(ijk[i] + 1), true, - find_phi_crossing(r0, u, l, ijk[i])), + find_phi_crossing(r, u, l, ijk[i])), MeshDistance(sanitize_phi(ijk[i] - 1), false, - find_phi_crossing(r0, u, l, ijk[i] - 1))); + find_phi_crossing(r, u, l, ijk[i] - 1))); } else { - return find_z_crossing(r0, u, l, ijk[i]); + return find_z_crossing(r, u, l, ijk[i]); } } @@ -1227,6 +1244,7 @@ void CylindricalMesh::to_hdf5(hid_t group) const write_dataset(mesh_group, "r_grid", grid_[0]); write_dataset(mesh_group, "phi_grid", grid_[1]); write_dataset(mesh_group, "z_grid", grid_[2]); + write_dataset(mesh_group, "origin", origin_); close_group(mesh_group); } @@ -1235,13 +1253,15 @@ void CylindricalMesh::to_hdf5(hid_t group) const // SphericalMesh implementation //============================================================================== -SphericalMesh::SphericalMesh(pugi::xml_node node) : StructuredMesh {node} +SphericalMesh::SphericalMesh(pugi::xml_node node) + : PeriodicStructuredMesh {node} { n_dimension_ = 3; grid_[0] = get_node_array(node, "r_grid"); grid_[1] = get_node_array(node, "theta_grid"); grid_[2] = get_node_array(node, "phi_grid"); + origin_ = get_node_position(node, "origin"); if (int err = set_grid()) { fatal_error(openmc_err_msg); @@ -1258,9 +1278,11 @@ std::string SphericalMesh::get_mesh_type() const StructuredMesh::MeshIndex SphericalMesh::get_indices( Position r, bool& in_mesh) const { - Position mapped_r; + local_coords(r); + Position mapped_r; mapped_r[0] = r.norm(); + if (mapped_r[0] < FP_PRECISION) { mapped_r[1] = 0.0; mapped_r[2] = 0.0; @@ -1288,8 +1310,14 @@ double SphericalMesh::find_r_crossing( // solve |r+s*u| = r0 // |r+s*u| = |r| + 2*s*r*u + s^2 (|u|==1 !) const double r0 = grid_[0][shell]; + if (r0 == 0.0) + return INFTY; const double p = r.dot(u); - double D = p * p - r.dot(r) + r0 * r0; + double c = r.dot(r) - r0 * r0; + double D = p * p - c; + + if (std::abs(c) <= RADIAL_MESH_TOL) + return INFTY; if (D >= 0.0) { D = std::sqrt(D); @@ -1490,6 +1518,7 @@ void SphericalMesh::to_hdf5(hid_t group) const write_dataset(mesh_group, "r_grid", grid_[0]); write_dataset(mesh_group, "theta_grid", grid_[1]); write_dataset(mesh_group, "phi_grid", grid_[2]); + write_dataset(mesh_group, "origin", origin_); close_group(mesh_group); } diff --git a/src/output.cpp b/src/output.cpp index 53f5b647f..c280677a2 100644 --- a/src/output.cpp +++ b/src/output.cpp @@ -375,6 +375,12 @@ void print_build_info() #ifdef LIBMESH libmesh = y; #endif +#ifdef OPENMC_MCPL + mcpl = y; +#endif +#ifdef NCRYSTAL + ncrystal = y; +#endif #ifdef USE_LIBPNG png = y; #endif @@ -404,8 +410,8 @@ void print_build_info() fmt::print("PNG support: {}\n", png); fmt::print("DAGMC support: {}\n", dagmc); fmt::print("libMesh support: {}\n", libmesh); - fmt::print("NCrystal support: {}\n", profiling); - fmt::print("MCPL support: {}\n", profiling); + fmt::print("MCPL support: {}\n", mcpl); + fmt::print("NCrystal support: {}\n", ncrystal); fmt::print("Coverage testing: {}\n", coverage); fmt::print("Profiling flags: {}\n", profiling); } diff --git a/src/photon.cpp b/src/photon.cpp index c4beff019..08062a2e9 100644 --- a/src/photon.cpp +++ b/src/photon.cpp @@ -91,9 +91,13 @@ PhotonInteraction::PhotonInteraction(hid_t group) close_group(rgroup); // Read pair production - rgroup = open_group(group, "pair_production_electron"); - read_dataset(rgroup, "xs", pair_production_electron_); - close_group(rgroup); + if (object_exists(group, "pair_production_electron")) { + rgroup = open_group(group, "pair_production_electron"); + read_dataset(rgroup, "xs", pair_production_electron_); + close_group(rgroup); + } else { + pair_production_electron_ = xt::zeros_like(energy_); + } // Read pair production if (object_exists(group, "pair_production_nuclear")) { diff --git a/src/surface.cpp b/src/surface.cpp index c0b3f0a59..2403d0c6a 100644 --- a/src/surface.cpp +++ b/src/surface.cpp @@ -1044,7 +1044,7 @@ double torus_distance(double x1, double x2, double x3, double u1, double u2, // zero but possibly small and positive. A tolerance is set to discard that // zero. double distance = INFTY; - double cutoff = coincident ? 1e-10 : 0.0; + double cutoff = coincident ? TORUS_TOL : 0.0; for (int i = 0; i < 4; ++i) { if (roots[i].imag() == 0) { double root = roots[i].real(); diff --git a/src/xml_interface.cpp b/src/xml_interface.cpp index cf3b981e5..6ce465baf 100644 --- a/src/xml_interface.cpp +++ b/src/xml_interface.cpp @@ -48,4 +48,11 @@ bool get_node_value_bool(pugi::xml_node node, const char* name) return false; } +Position get_node_position( + pugi::xml_node node, const char* name, bool lowercase) +{ + vector arr = get_node_array(node, name, lowercase); + return Position(arr); +} + } // namespace openmc diff --git a/tests/regression_tests/adj_cell_rotation/inputs_true.dat b/tests/regression_tests/adj_cell_rotation/inputs_true.dat index 24b00199b..1c4516f42 100644 --- a/tests/regression_tests/adj_cell_rotation/inputs_true.dat +++ b/tests/regression_tests/adj_cell_rotation/inputs_true.dat @@ -1,38 +1,38 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 10000 - 10 - 5 - - - -4.0 -4.0 -4.0 4.0 4.0 4.0 - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 10000 + 10 + 5 + + + -4.0 -4.0 -4.0 4.0 4.0 4.0 + + + + diff --git a/tests/regression_tests/asymmetric_lattice/inputs_true.dat b/tests/regression_tests/asymmetric_lattice/inputs_true.dat index bbdc79715..b247412e5 100644 --- a/tests/regression_tests/asymmetric_lattice/inputs_true.dat +++ b/tests/regression_tests/asymmetric_lattice/inputs_true.dat @@ -1,19 +1,168 @@ - - - - - - - - - - - - 1.26 1.26 - 17 17 - -10.71 -10.71 - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 1.26 1.26 + 17 17 + -10.71 -10.71 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 @@ -31,197 +180,47 @@ 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 - - - 21.42 21.42 - 3 3 - -32.13 -32.13 - + + + 21.42 21.42 + 3 3 + -32.13 -32.13 + 8 7 7 8 8 8 7 7 7 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 10 - 5 - - - -32 -32 0 32 32 32 - - - - - - - 27 - - - 1 - nu-fission - - + + + + + + + + + + + + + + + + eigenvalue + 100 + 10 + 5 + + + -32 -32 0 32 32 32 + + + + + + 27 + + + 1 + nu-fission + + + diff --git a/tests/regression_tests/cmfd_feed/geometry.xml b/tests/regression_tests/cmfd_feed/geometry.xml deleted file mode 100644 index 73ea679c4..000000000 --- a/tests/regression_tests/cmfd_feed/geometry.xml +++ /dev/null @@ -1,43 +0,0 @@ - - - - - - 0 - -1 2 -3 4 -5 6 - 1 - - - - - x-plane - 10 - vacuum - - - x-plane - -10 - vacuum - - - y-plane - 1 - reflective - - - y-plane - -1 - reflective - - - z-plane - 1 - reflective - - - z-plane - -1 - reflective - - - diff --git a/tests/regression_tests/cmfd_feed/materials.xml b/tests/regression_tests/cmfd_feed/materials.xml deleted file mode 100644 index 70580e3a8..000000000 --- a/tests/regression_tests/cmfd_feed/materials.xml +++ /dev/null @@ -1,12 +0,0 @@ - - - - - - - - - - - - diff --git a/tests/regression_tests/cmfd_feed/model.xml b/tests/regression_tests/cmfd_feed/model.xml new file mode 100644 index 000000000..b3fe853b2 --- /dev/null +++ b/tests/regression_tests/cmfd_feed/model.xml @@ -0,0 +1,51 @@ + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 20 + 10 + + + -10.0 -1.0 -1.0 10.0 1.0 1.0 + + + 10 + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + 1 + + + 1 + flux + + + diff --git a/tests/regression_tests/cmfd_feed/settings.xml b/tests/regression_tests/cmfd_feed/settings.xml deleted file mode 100644 index 24b0b6ab5..000000000 --- a/tests/regression_tests/cmfd_feed/settings.xml +++ /dev/null @@ -1,26 +0,0 @@ - - - - - eigenvalue - 20 - 10 - 1000 - - - - - box - -10 -1 -1 10 1 1 - - - - - - 10 1 1 - -10.0 -1.0 -1.0 - 10.0 1.0 1.0 - - 10 - - diff --git a/tests/regression_tests/cmfd_feed/tallies.xml b/tests/regression_tests/cmfd_feed/tallies.xml deleted file mode 100644 index c86971114..000000000 --- a/tests/regression_tests/cmfd_feed/tallies.xml +++ /dev/null @@ -1,21 +0,0 @@ - - - - - regular - -10 -1 -1 - 10 1 1 - 10 1 1 - - - - mesh - 1 - - - - 1 - flux - - - diff --git a/tests/regression_tests/cmfd_feed_expanding_window/geometry.xml b/tests/regression_tests/cmfd_feed_expanding_window/geometry.xml deleted file mode 100644 index 73ea679c4..000000000 --- a/tests/regression_tests/cmfd_feed_expanding_window/geometry.xml +++ /dev/null @@ -1,43 +0,0 @@ - - - - - - 0 - -1 2 -3 4 -5 6 - 1 - - - - - x-plane - 10 - vacuum - - - x-plane - -10 - vacuum - - - y-plane - 1 - reflective - - - y-plane - -1 - reflective - - - z-plane - 1 - reflective - - - z-plane - -1 - reflective - - - diff --git a/tests/regression_tests/cmfd_feed_expanding_window/materials.xml b/tests/regression_tests/cmfd_feed_expanding_window/materials.xml deleted file mode 100644 index 70580e3a8..000000000 --- a/tests/regression_tests/cmfd_feed_expanding_window/materials.xml +++ /dev/null @@ -1,12 +0,0 @@ - - - - - - - - - - - - diff --git a/tests/regression_tests/cmfd_feed_expanding_window/model.xml b/tests/regression_tests/cmfd_feed_expanding_window/model.xml new file mode 100644 index 000000000..b3fe853b2 --- /dev/null +++ b/tests/regression_tests/cmfd_feed_expanding_window/model.xml @@ -0,0 +1,51 @@ + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 20 + 10 + + + -10.0 -1.0 -1.0 10.0 1.0 1.0 + + + 10 + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + 1 + + + 1 + flux + + + diff --git a/tests/regression_tests/cmfd_feed_expanding_window/settings.xml b/tests/regression_tests/cmfd_feed_expanding_window/settings.xml deleted file mode 100644 index 24b0b6ab5..000000000 --- a/tests/regression_tests/cmfd_feed_expanding_window/settings.xml +++ /dev/null @@ -1,26 +0,0 @@ - - - - - eigenvalue - 20 - 10 - 1000 - - - - - box - -10 -1 -1 10 1 1 - - - - - - 10 1 1 - -10.0 -1.0 -1.0 - 10.0 1.0 1.0 - - 10 - - diff --git a/tests/regression_tests/cmfd_feed_expanding_window/tallies.xml b/tests/regression_tests/cmfd_feed_expanding_window/tallies.xml deleted file mode 100644 index c86971114..000000000 --- a/tests/regression_tests/cmfd_feed_expanding_window/tallies.xml +++ /dev/null @@ -1,21 +0,0 @@ - - - - - regular - -10 -1 -1 - 10 1 1 - 10 1 1 - - - - mesh - 1 - - - - 1 - flux - - - diff --git a/tests/regression_tests/cmfd_feed_rectlin/geometry.xml b/tests/regression_tests/cmfd_feed_rectlin/geometry.xml deleted file mode 100644 index 73ea679c4..000000000 --- a/tests/regression_tests/cmfd_feed_rectlin/geometry.xml +++ /dev/null @@ -1,43 +0,0 @@ - - - - - - 0 - -1 2 -3 4 -5 6 - 1 - - - - - x-plane - 10 - vacuum - - - x-plane - -10 - vacuum - - - y-plane - 1 - reflective - - - y-plane - -1 - reflective - - - z-plane - 1 - reflective - - - z-plane - -1 - reflective - - - diff --git a/tests/regression_tests/cmfd_feed_rectlin/materials.xml b/tests/regression_tests/cmfd_feed_rectlin/materials.xml deleted file mode 100644 index 70580e3a8..000000000 --- a/tests/regression_tests/cmfd_feed_rectlin/materials.xml +++ /dev/null @@ -1,12 +0,0 @@ - - - - - - - - - - - - diff --git a/tests/regression_tests/cmfd_feed_rectlin/model.xml b/tests/regression_tests/cmfd_feed_rectlin/model.xml new file mode 100644 index 000000000..b3fe853b2 --- /dev/null +++ b/tests/regression_tests/cmfd_feed_rectlin/model.xml @@ -0,0 +1,51 @@ + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 20 + 10 + + + -10.0 -1.0 -1.0 10.0 1.0 1.0 + + + 10 + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + 1 + + + 1 + flux + + + diff --git a/tests/regression_tests/cmfd_feed_rectlin/settings.xml b/tests/regression_tests/cmfd_feed_rectlin/settings.xml deleted file mode 100644 index 24b0b6ab5..000000000 --- a/tests/regression_tests/cmfd_feed_rectlin/settings.xml +++ /dev/null @@ -1,26 +0,0 @@ - - - - - eigenvalue - 20 - 10 - 1000 - - - - - box - -10 -1 -1 10 1 1 - - - - - - 10 1 1 - -10.0 -1.0 -1.0 - 10.0 1.0 1.0 - - 10 - - diff --git a/tests/regression_tests/cmfd_feed_rectlin/tallies.xml b/tests/regression_tests/cmfd_feed_rectlin/tallies.xml deleted file mode 100644 index c86971114..000000000 --- a/tests/regression_tests/cmfd_feed_rectlin/tallies.xml +++ /dev/null @@ -1,21 +0,0 @@ - - - - - regular - -10 -1 -1 - 10 1 1 - 10 1 1 - - - - mesh - 1 - - - - 1 - flux - - - diff --git a/tests/regression_tests/cmfd_feed_ref_d/geometry.xml b/tests/regression_tests/cmfd_feed_ref_d/geometry.xml deleted file mode 100644 index 73ea679c4..000000000 --- a/tests/regression_tests/cmfd_feed_ref_d/geometry.xml +++ /dev/null @@ -1,43 +0,0 @@ - - - - - - 0 - -1 2 -3 4 -5 6 - 1 - - - - - x-plane - 10 - vacuum - - - x-plane - -10 - vacuum - - - y-plane - 1 - reflective - - - y-plane - -1 - reflective - - - z-plane - 1 - reflective - - - z-plane - -1 - reflective - - - diff --git a/tests/regression_tests/cmfd_feed_ref_d/materials.xml b/tests/regression_tests/cmfd_feed_ref_d/materials.xml deleted file mode 100644 index 70580e3a8..000000000 --- a/tests/regression_tests/cmfd_feed_ref_d/materials.xml +++ /dev/null @@ -1,12 +0,0 @@ - - - - - - - - - - - - diff --git a/tests/regression_tests/cmfd_feed_ref_d/model.xml b/tests/regression_tests/cmfd_feed_ref_d/model.xml new file mode 100644 index 000000000..b3fe853b2 --- /dev/null +++ b/tests/regression_tests/cmfd_feed_ref_d/model.xml @@ -0,0 +1,51 @@ + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 20 + 10 + + + -10.0 -1.0 -1.0 10.0 1.0 1.0 + + + 10 + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + 1 + + + 1 + flux + + + diff --git a/tests/regression_tests/cmfd_feed_ref_d/settings.xml b/tests/regression_tests/cmfd_feed_ref_d/settings.xml deleted file mode 100644 index 24b0b6ab5..000000000 --- a/tests/regression_tests/cmfd_feed_ref_d/settings.xml +++ /dev/null @@ -1,26 +0,0 @@ - - - - - eigenvalue - 20 - 10 - 1000 - - - - - box - -10 -1 -1 10 1 1 - - - - - - 10 1 1 - -10.0 -1.0 -1.0 - 10.0 1.0 1.0 - - 10 - - diff --git a/tests/regression_tests/cmfd_feed_ref_d/tallies.xml b/tests/regression_tests/cmfd_feed_ref_d/tallies.xml deleted file mode 100644 index c86971114..000000000 --- a/tests/regression_tests/cmfd_feed_ref_d/tallies.xml +++ /dev/null @@ -1,21 +0,0 @@ - - - - - regular - -10 -1 -1 - 10 1 1 - 10 1 1 - - - - mesh - 1 - - - - 1 - flux - - - diff --git a/tests/regression_tests/cmfd_feed_rolling_window/geometry.xml b/tests/regression_tests/cmfd_feed_rolling_window/geometry.xml deleted file mode 100644 index 73ea679c4..000000000 --- a/tests/regression_tests/cmfd_feed_rolling_window/geometry.xml +++ /dev/null @@ -1,43 +0,0 @@ - - - - - - 0 - -1 2 -3 4 -5 6 - 1 - - - - - x-plane - 10 - vacuum - - - x-plane - -10 - vacuum - - - y-plane - 1 - reflective - - - y-plane - -1 - reflective - - - z-plane - 1 - reflective - - - z-plane - -1 - reflective - - - diff --git a/tests/regression_tests/cmfd_feed_rolling_window/materials.xml b/tests/regression_tests/cmfd_feed_rolling_window/materials.xml deleted file mode 100644 index 70580e3a8..000000000 --- a/tests/regression_tests/cmfd_feed_rolling_window/materials.xml +++ /dev/null @@ -1,12 +0,0 @@ - - - - - - - - - - - - diff --git a/tests/regression_tests/cmfd_feed_rolling_window/model.xml b/tests/regression_tests/cmfd_feed_rolling_window/model.xml new file mode 100644 index 000000000..b3fe853b2 --- /dev/null +++ b/tests/regression_tests/cmfd_feed_rolling_window/model.xml @@ -0,0 +1,51 @@ + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 20 + 10 + + + -10.0 -1.0 -1.0 10.0 1.0 1.0 + + + 10 + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + 1 + + + 1 + flux + + + diff --git a/tests/regression_tests/cmfd_feed_rolling_window/settings.xml b/tests/regression_tests/cmfd_feed_rolling_window/settings.xml deleted file mode 100644 index 24b0b6ab5..000000000 --- a/tests/regression_tests/cmfd_feed_rolling_window/settings.xml +++ /dev/null @@ -1,26 +0,0 @@ - - - - - eigenvalue - 20 - 10 - 1000 - - - - - box - -10 -1 -1 10 1 1 - - - - - - 10 1 1 - -10.0 -1.0 -1.0 - 10.0 1.0 1.0 - - 10 - - diff --git a/tests/regression_tests/cmfd_feed_rolling_window/tallies.xml b/tests/regression_tests/cmfd_feed_rolling_window/tallies.xml deleted file mode 100644 index c86971114..000000000 --- a/tests/regression_tests/cmfd_feed_rolling_window/tallies.xml +++ /dev/null @@ -1,21 +0,0 @@ - - - - - regular - -10 -1 -1 - 10 1 1 - 10 1 1 - - - - mesh - 1 - - - - 1 - flux - - - diff --git a/tests/regression_tests/cmfd_nofeed/geometry.xml b/tests/regression_tests/cmfd_nofeed/geometry.xml deleted file mode 100644 index 73ea679c4..000000000 --- a/tests/regression_tests/cmfd_nofeed/geometry.xml +++ /dev/null @@ -1,43 +0,0 @@ - - - - - - 0 - -1 2 -3 4 -5 6 - 1 - - - - - x-plane - 10 - vacuum - - - x-plane - -10 - vacuum - - - y-plane - 1 - reflective - - - y-plane - -1 - reflective - - - z-plane - 1 - reflective - - - z-plane - -1 - reflective - - - diff --git a/tests/regression_tests/cmfd_nofeed/materials.xml b/tests/regression_tests/cmfd_nofeed/materials.xml deleted file mode 100644 index 70580e3a8..000000000 --- a/tests/regression_tests/cmfd_nofeed/materials.xml +++ /dev/null @@ -1,12 +0,0 @@ - - - - - - - - - - - - diff --git a/tests/regression_tests/cmfd_nofeed/model.xml b/tests/regression_tests/cmfd_nofeed/model.xml new file mode 100644 index 000000000..b3fe853b2 --- /dev/null +++ b/tests/regression_tests/cmfd_nofeed/model.xml @@ -0,0 +1,51 @@ + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 20 + 10 + + + -10.0 -1.0 -1.0 10.0 1.0 1.0 + + + 10 + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + 1 + + + 1 + flux + + + diff --git a/tests/regression_tests/cmfd_nofeed/settings.xml b/tests/regression_tests/cmfd_nofeed/settings.xml deleted file mode 100644 index 24b0b6ab5..000000000 --- a/tests/regression_tests/cmfd_nofeed/settings.xml +++ /dev/null @@ -1,26 +0,0 @@ - - - - - eigenvalue - 20 - 10 - 1000 - - - - - box - -10 -1 -1 10 1 1 - - - - - - 10 1 1 - -10.0 -1.0 -1.0 - 10.0 1.0 1.0 - - 10 - - diff --git a/tests/regression_tests/cmfd_nofeed/tallies.xml b/tests/regression_tests/cmfd_nofeed/tallies.xml deleted file mode 100644 index c86971114..000000000 --- a/tests/regression_tests/cmfd_nofeed/tallies.xml +++ /dev/null @@ -1,21 +0,0 @@ - - - - - regular - -10 -1 -1 - 10 1 1 - 10 1 1 - - - - mesh - 1 - - - - 1 - flux - - - diff --git a/tests/regression_tests/cmfd_restart/geometry.xml b/tests/regression_tests/cmfd_restart/geometry.xml deleted file mode 100644 index 73ea679c4..000000000 --- a/tests/regression_tests/cmfd_restart/geometry.xml +++ /dev/null @@ -1,43 +0,0 @@ - - - - - - 0 - -1 2 -3 4 -5 6 - 1 - - - - - x-plane - 10 - vacuum - - - x-plane - -10 - vacuum - - - y-plane - 1 - reflective - - - y-plane - -1 - reflective - - - z-plane - 1 - reflective - - - z-plane - -1 - reflective - - - diff --git a/tests/regression_tests/cmfd_restart/materials.xml b/tests/regression_tests/cmfd_restart/materials.xml deleted file mode 100644 index 70580e3a8..000000000 --- a/tests/regression_tests/cmfd_restart/materials.xml +++ /dev/null @@ -1,12 +0,0 @@ - - - - - - - - - - - - diff --git a/tests/regression_tests/cmfd_restart/model.xml b/tests/regression_tests/cmfd_restart/model.xml new file mode 100644 index 000000000..487e9b66d --- /dev/null +++ b/tests/regression_tests/cmfd_restart/model.xml @@ -0,0 +1,54 @@ + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 20 + 10 + + + -10.0 -1.0 -1.0 10.0 1.0 1.0 + + + + 15 20 + + 10 + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + + + 10 1 1 + -10.0 -1.0 -1.0 + 10.0 1.0 1.0 + + + 1 + + + 1 + flux + + + diff --git a/tests/regression_tests/cmfd_restart/settings.xml b/tests/regression_tests/cmfd_restart/settings.xml deleted file mode 100644 index ba5495911..000000000 --- a/tests/regression_tests/cmfd_restart/settings.xml +++ /dev/null @@ -1,28 +0,0 @@ - - - - - eigenvalue - 20 - 10 - 1000 - - - - - box - -10 -1 -1 10 1 1 - - - - - - 10 1 1 - -10.0 -1.0 -1.0 - 10.0 1.0 1.0 - - 10 - - - - diff --git a/tests/regression_tests/cmfd_restart/tallies.xml b/tests/regression_tests/cmfd_restart/tallies.xml deleted file mode 100644 index c86971114..000000000 --- a/tests/regression_tests/cmfd_restart/tallies.xml +++ /dev/null @@ -1,21 +0,0 @@ - - - - - regular - -10 -1 -1 - 10 1 1 - 10 1 1 - - - - mesh - 1 - - - - 1 - flux - - - diff --git a/tests/regression_tests/cpp_driver/inputs_true.dat b/tests/regression_tests/cpp_driver/inputs_true.dat index faa3fa9b1..cdace34f0 100644 --- a/tests/regression_tests/cpp_driver/inputs_true.dat +++ b/tests/regression_tests/cpp_driver/inputs_true.dat @@ -1,45 +1,45 @@ - - - - - - - - 4.0 4.0 - 2 2 - -4.0 -4.0 - + + + + + + + + + + + + + + + + + + + + + + + + 4.0 4.0 + 2 2 + -4.0 -4.0 + 2 2 2 2 - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 10 - 1 - + + + + + + + + + + eigenvalue + 100 + 10 + 1 + + diff --git a/tests/regression_tests/create_fission_neutrons/inputs_true.dat b/tests/regression_tests/create_fission_neutrons/inputs_true.dat index b0ca89647..f79ba379c 100644 --- a/tests/regression_tests/create_fission_neutrons/inputs_true.dat +++ b/tests/regression_tests/create_fission_neutrons/inputs_true.dat @@ -1,37 +1,36 @@ - - - - - - - - - - - - - - - - - - - - fixed source - 100 - 10 - - - -1 -1 -1 1 1 1 - - - - false - - - - - flux - - + + + + + + + + + + + + + + + + + + + fixed source + 100 + 10 + + + -1 -1 -1 1 1 1 + + + + false + + + + flux + + + diff --git a/tests/regression_tests/create_fission_neutrons/test.py b/tests/regression_tests/create_fission_neutrons/test.py index f1c1d072c..82bfaafa6 100755 --- a/tests/regression_tests/create_fission_neutrons/test.py +++ b/tests/regression_tests/create_fission_neutrons/test.py @@ -4,14 +4,14 @@ from tests.testing_harness import PyAPITestHarness class CreateFissionNeutronsTestHarness(PyAPITestHarness): - def _build_inputs(self): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) # Material is composed of H-1 and U-235 mat = openmc.Material(material_id=1, name='mat') mat.set_density('atom/b-cm', 0.069335) mat.add_nuclide('H1', 40.0) mat.add_nuclide('U235', 1.0) - materials_file = openmc.Materials([mat]) - materials_file.export_to_xml() + self._model.materials = openmc.Materials([mat]) # Cell is box with reflective boundary x1 = openmc.XPlane(surface_id=1, x0=-1) @@ -27,8 +27,7 @@ class CreateFissionNeutronsTestHarness(PyAPITestHarness): box.fill = mat root = openmc.Universe(universe_id=0, name='root universe') root.add_cell(box) - geometry = openmc.Geometry(root) - geometry.export_to_xml() + self._model.geometry = openmc.Geometry(root) # Set the running parameters settings_file = openmc.Settings() @@ -41,14 +40,14 @@ class CreateFissionNeutronsTestHarness(PyAPITestHarness): watt_dist = openmc.stats.Watt() settings_file.source = openmc.source.Source(space=uniform_dist, energy=watt_dist) - settings_file.export_to_xml() + self._model.settings = settings_file # Create tallies tallies = openmc.Tallies() tally = openmc.Tally(1) tally.scores = ['flux'] tallies.append(tally) - tallies.export_to_xml() + self._model.tallies = tallies def _get_results(self): """Digest info in the statepoint and return as a string.""" @@ -66,5 +65,6 @@ class CreateFissionNeutronsTestHarness(PyAPITestHarness): def test_create_fission_neutrons(): - harness = CreateFissionNeutronsTestHarness('statepoint.10.h5') + harness = CreateFissionNeutronsTestHarness('statepoint.10.h5', + model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/dagmc/external/inputs_true.dat b/tests/regression_tests/dagmc/external/inputs_true.dat index dd75bbdbd..5547f333c 100644 --- a/tests/regression_tests/dagmc/external/inputs_true.dat +++ b/tests/regression_tests/dagmc/external/inputs_true.dat @@ -1,40 +1,39 @@ - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 5 - 0 - - - -4 -4 -4 4 4 4 - - - 293 - - - - - 1 - - - 1 - total - - + + + + + + + + + + + + + + + + + + eigenvalue + 100 + 5 + 0 + + + -4 -4 -4 4 4 4 + + + 293 + + + + 1 + + + 1 + total + + + diff --git a/tests/regression_tests/dagmc/legacy/inputs_true.dat b/tests/regression_tests/dagmc/legacy/inputs_true.dat index 2f5641046..89d458a2b 100644 --- a/tests/regression_tests/dagmc/legacy/inputs_true.dat +++ b/tests/regression_tests/dagmc/legacy/inputs_true.dat @@ -1,39 +1,38 @@ - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 5 - 0 - - - -4 -4 -4 4 4 4 - - - - - - - 1 - - - 1 - total - - + + + + + + + + + + + + + + + + + + eigenvalue + 100 + 5 + 0 + + + -4 -4 -4 4 4 4 + + + + + + 1 + + + 1 + total + + + diff --git a/tests/regression_tests/dagmc/refl/inputs_true.dat b/tests/regression_tests/dagmc/refl/inputs_true.dat index 938916ece..894d50104 100644 --- a/tests/regression_tests/dagmc/refl/inputs_true.dat +++ b/tests/regression_tests/dagmc/refl/inputs_true.dat @@ -1,29 +1,28 @@ - - - - - - - - - eigenvalue - 100 - 5 - 0 - - - -4 -4 -4 4 4 4 - - - - - - - 2 - - - 1 - total - - + + + + + + + + eigenvalue + 100 + 5 + 0 + + + -4 -4 -4 4 4 4 + + + + + + 2 + + + 1 + total + + + diff --git a/tests/regression_tests/dagmc/refl/test.py b/tests/regression_tests/dagmc/refl/test.py index 5afc1a7a2..5b08f0c4a 100644 --- a/tests/regression_tests/dagmc/refl/test.py +++ b/tests/regression_tests/dagmc/refl/test.py @@ -10,34 +10,29 @@ pytestmark = pytest.mark.skipif( reason="DAGMC CAD geometry is not enabled.") class UWUWTest(PyAPITestHarness): - - def _build_inputs(self): - model = openmc.model.Model() + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) # settings - model.settings.batches = 5 - model.settings.inactive = 0 - model.settings.particles = 100 + self._model.settings.batches = 5 + self._model.settings.inactive = 0 + self._model.settings.particles = 100 source = openmc.Source(space=Box([-4, -4, -4], [ 4, 4, 4])) - model.settings.source = source - - model.settings.export_to_xml() + self._model.settings.source = source # geometry dag_univ = openmc.DAGMCUniverse("dagmc.h5m", auto_geom_ids=True) - model.geometry = openmc.Geometry(dag_univ) + self._model.geometry = openmc.Geometry(dag_univ) # tally tally = openmc.Tally() tally.scores = ['total'] tally.filters = [openmc.CellFilter(2)] - model.tallies = [tally] + self._model.tallies = [tally] - model.tallies.export_to_xml() - model.export_to_xml() def test_refl(): - harness = UWUWTest('statepoint.5.h5') + harness = UWUWTest('statepoint.5.h5', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/dagmc/universes/inputs_true.dat b/tests/regression_tests/dagmc/universes/inputs_true.dat index ea6ad519b..b88e83df4 100644 --- a/tests/regression_tests/dagmc/universes/inputs_true.dat +++ b/tests/regression_tests/dagmc/universes/inputs_true.dat @@ -1,55 +1,55 @@ - - - - - 24.0 24.0 - 2 2 - -24.0 -24.0 - -9 9 -9 9 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 10 - 2 - - false - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 24.0 24.0 + 2 2 + -24.0 -24.0 + +1 1 +1 1 + + + + + + + + + + eigenvalue + 100 + 10 + 2 + + false + + + diff --git a/tests/regression_tests/dagmc/universes/test.py b/tests/regression_tests/dagmc/universes/test.py index 47897ad56..a318275cd 100644 --- a/tests/regression_tests/dagmc/universes/test.py +++ b/tests/regression_tests/dagmc/universes/test.py @@ -12,9 +12,8 @@ pytestmark = pytest.mark.skipif( class DAGMCUniverseTest(PyAPITestHarness): - - def _build_inputs(self): - model = openmc.model.Model() + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) ### MATERIALS ### fuel = openmc.Material(name='no-void fuel') @@ -40,7 +39,7 @@ class DAGMCUniverseTest(PyAPITestHarness): water.add_nuclide('B11', 3.2218e-05) water.add_s_alpha_beta('c_H_in_H2O') - model.materials = openmc.Materials([fuel, cladding, water]) + self._model.materials = openmc.Materials([fuel, cladding, water]) ### GEOMETRY ### # create the DAGMC universe @@ -51,7 +50,7 @@ class DAGMCUniverseTest(PyAPITestHarness): # uses the bound_dag_cell as the root argument to test the type checks in openmc.Geometry bound_pincell_geometry = openmc.Geometry(root=bound_pincell_universe) # assigns the bound_dag_geometry to the model to test the type checks in model.Geometry setter - model.Geometry = bound_pincell_geometry + self._model.geometry = bound_pincell_geometry # create a 2 x 2 lattice using the DAGMC pincell pitch = np.asarray((24.0, 24.0)) @@ -71,17 +70,15 @@ class DAGMCUniverseTest(PyAPITestHarness): bounding_region = +left & -right & +front & -back & +bottom & -top bounding_cell = openmc.Cell(fill=lattice, region=bounding_region) - model.geometry = openmc.Geometry([bounding_cell]) + self._model.geometry = openmc.Geometry([bounding_cell]) # settings - model.settings.particles = 100 - model.settings.batches = 10 - model.settings.inactive = 2 - model.settings.output = {'summary' : False} - - model.export_to_xml() + self._model.settings.particles = 100 + self._model.settings.batches = 10 + self._model.settings.inactive = 2 + self._model.settings.output = {'summary' : False} def test_univ(): - harness = DAGMCUniverseTest('statepoint.10.h5') + harness = DAGMCUniverseTest('statepoint.10.h5', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/dagmc/uwuw/inputs_true.dat b/tests/regression_tests/dagmc/uwuw/inputs_true.dat index 7d533c5db..07384b625 100644 --- a/tests/regression_tests/dagmc/uwuw/inputs_true.dat +++ b/tests/regression_tests/dagmc/uwuw/inputs_true.dat @@ -1,29 +1,28 @@ - - - - - - - - - eigenvalue - 100 - 5 - 0 - - - -4 -4 -4 4 4 4 - - - - - - - 1 - - - 1 - total - - + + + + + + + + eigenvalue + 100 + 5 + 0 + + + -4 -4 -4 4 4 4 + + + + + + 1 + + + 1 + total + + + diff --git a/tests/regression_tests/dagmc/uwuw/test.py b/tests/regression_tests/dagmc/uwuw/test.py index a8da2da60..19986e589 100644 --- a/tests/regression_tests/dagmc/uwuw/test.py +++ b/tests/regression_tests/dagmc/uwuw/test.py @@ -10,33 +10,29 @@ pytestmark = pytest.mark.skipif( reason="DAGMC CAD geometry is not enabled.") class UWUWTest(PyAPITestHarness): - - def _build_inputs(self): - model = openmc.model.Model() + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) # settings - model.settings.batches = 5 - model.settings.inactive = 0 - model.settings.particles = 100 + self._model.settings.batches = 5 + self._model.settings.inactive = 0 + self._model.settings.particles = 100 source = openmc.Source(space=Box([-4, -4, -4], [ 4, 4, 4])) - model.settings.source = source - - model.settings.export_to_xml() + self._model.settings.source = source # geometry dag_univ = openmc.DAGMCUniverse("dagmc.h5m") - model.geometry = openmc.Geometry(root=dag_univ) + self._model.geometry = openmc.Geometry(root=dag_univ) # tally tally = openmc.Tally() tally.scores = ['total'] tally.filters = [openmc.CellFilter(1)] - model.tallies = [tally] + self._model.tallies = [tally] - model.export_to_xml() def test_uwuw(): - harness = UWUWTest('statepoint.5.h5') + harness = UWUWTest('statepoint.5.h5', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/diff_tally/inputs_true.dat b/tests/regression_tests/diff_tally/inputs_true.dat index 909475f96..99697a1e9 100644 --- a/tests/regression_tests/diff_tally/inputs_true.dat +++ b/tests/regression_tests/diff_tally/inputs_true.dat @@ -1,38 +1,187 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 1.26 1.26 - 17 17 - -10.71 -10.71 - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 1.26 1.26 + 17 17 + -10.71 -10.71 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 @@ -50,12 +199,12 @@ 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 - - - 1.26 1.26 - 17 17 - -10.71 -10.71 - + + + 1.26 1.26 + 17 17 + -10.71 -10.71 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 @@ -73,12 +222,12 @@ 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 - - - 21.42 21.42 - 21 21 - -224.91 -224.91 - + + + 21.42 21.42 + 21 21 + -224.91 -224.91 + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 @@ -100,12 +249,12 @@ 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 - - - 21.42 21.42 - 21 21 - -224.91 -224.91 - + + + 21.42 21.42 + 21 21 + -224.91 -224.91 + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 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 @@ -127,313 +276,163 @@ 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 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 3 - 0 - - - -160 -160 -183 160 160 183 - - - true - - - - - 1 3 - - - 0.0 0.625 20000000.0 - - - 1 - flux - 1 - - - 1 - flux - 2 - - - 1 - flux - 3 - - - 1 - flux - 4 - - - 1 - flux - 5 - - - 1 - total U235 - total absorption scatter fission nu-fission - 1 - - - 1 - total U235 - total absorption scatter fission nu-fission - 2 - - - 1 - total U235 - total absorption scatter fission nu-fission - 3 - - - 1 - total U235 - total absorption scatter fission nu-fission - 4 - - - 1 - total U235 - total absorption scatter fission nu-fission - 5 - - - 1 - absorption - analog - 1 - - - 1 - absorption - analog - 2 - - - 1 - absorption - analog - 3 - - - 1 - absorption - analog - 4 - - - 1 - absorption - analog - 5 - - - 1 2 - total U235 - nu-fission scatter - 1 - - - 1 2 - total U235 - nu-fission scatter - 2 - - - 1 2 - U235 - nu-fission scatter - 3 - - - 1 2 - U235 - nu-fission scatter - 4 - - - 1 2 - U235 - nu-fission scatter - 5 - - - - - - - + + + + + + + + + + + + + + + + + + + + + eigenvalue + 100 + 3 + 0 + + + -160 -160 -183 160 160 183 + + + true + + + + 1 3 + + + 0.0 0.625 20000000.0 + + + 1 + flux + 1 + + + 1 + flux + 2 + + + 1 + flux + 3 + + + 1 + flux + 4 + + + 1 + flux + 5 + + + 1 + total U235 + total absorption scatter fission nu-fission + 1 + + + 1 + total U235 + total absorption scatter fission nu-fission + 2 + + + 1 + total U235 + total absorption scatter fission nu-fission + 3 + + + 1 + total U235 + total absorption scatter fission nu-fission + 4 + + + 1 + total U235 + total absorption scatter fission nu-fission + 5 + + + 1 + absorption + analog + 1 + + + 1 + absorption + analog + 2 + + + 1 + absorption + analog + 3 + + + 1 + absorption + analog + 4 + + + 1 + absorption + analog + 5 + + + 1 2 + total U235 + nu-fission scatter + 1 + + + 1 2 + total U235 + nu-fission scatter + 2 + + + 1 2 + U235 + nu-fission scatter + 3 + + + 1 2 + U235 + nu-fission scatter + 4 + + + 1 2 + U235 + nu-fission scatter + 5 + + + + + + + + diff --git a/tests/regression_tests/distribmat/inputs_true.dat b/tests/regression_tests/distribmat/inputs_true.dat index a1c1e8311..f6c43c19a 100644 --- a/tests/regression_tests/distribmat/inputs_true.dat +++ b/tests/regression_tests/distribmat/inputs_true.dat @@ -1,62 +1,61 @@ - - - - - - - 2.0 2.0 - 1 - 2 2 - -2.0 -2.0 - + + + + + + + + + + + + + + + + + + + + + + + 2.0 2.0 + 1 + 2 2 + -2.0 -2.0 + 11 11 11 11 - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 0 - - - -1 -1 -1 1 1 1 - - - - - - - 0 0 0 - 7 7 - 400 400 - - - 0 0 0 - 7 7 - 400 400 - - + + + + + + + + + eigenvalue + 1000 + 5 + 0 + + + -1 -1 -1 1 1 1 + + + + + + 0 0 0 + 7 7 + 400 400 + + + 0 0 0 + 7 7 + 400 400 + + + diff --git a/tests/regression_tests/distribmat/results_true.dat b/tests/regression_tests/distribmat/results_true.dat index 4613434ce..af7b27fe7 100644 --- a/tests/regression_tests/distribmat/results_true.dat +++ b/tests/regression_tests/distribmat/results_true.dat @@ -4,7 +4,7 @@ Cell ID = 11 Name = Fill = [2, None, 3, 2] - Region = -9 + Region = -1 Rotation = None Translation = None Volume = None diff --git a/tests/regression_tests/distribmat/test.py b/tests/regression_tests/distribmat/test.py index 33f64ba03..ab7897313 100644 --- a/tests/regression_tests/distribmat/test.py +++ b/tests/regression_tests/distribmat/test.py @@ -4,7 +4,8 @@ from tests.testing_harness import TestHarness, PyAPITestHarness class DistribmatTestHarness(PyAPITestHarness): - def _build_inputs(self): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) #################### # Materials #################### @@ -22,8 +23,8 @@ class DistribmatTestHarness(PyAPITestHarness): light_fuel.set_density('g/cc', 2.0) light_fuel.add_nuclide('U235', 1.0) - mats_file = openmc.Materials([moderator, dense_fuel, light_fuel]) - mats_file.export_to_xml() + self._model.materials = openmc.Materials([moderator, dense_fuel, + light_fuel]) #################### # Geometry @@ -54,8 +55,7 @@ class DistribmatTestHarness(PyAPITestHarness): c101.region = +x0 & -x1 & +y0 & -y1 root_univ = openmc.Universe(universe_id=0, cells=[c101]) - geometry = openmc.Geometry(root_univ) - geometry.export_to_xml() + self._model.geometry = openmc.Geometry(root_univ) #################### # Settings @@ -67,7 +67,7 @@ class DistribmatTestHarness(PyAPITestHarness): sets_file.particles = 1000 sets_file.source = openmc.Source(space=openmc.stats.Box( [-1, -1, -1], [1, 1, 1])) - sets_file.export_to_xml() + self._model.settings = sets_file #################### # Plots @@ -89,8 +89,7 @@ class DistribmatTestHarness(PyAPITestHarness): plot2.width = (7, 7) plot2.pixels = (400, 400) - plots = openmc.Plots([plot1, plot2]) - plots.export_to_xml() + self._model.plots = openmc.Plots([plot1, plot2]) def _get_results(self): outstr = super()._get_results() @@ -100,5 +99,5 @@ class DistribmatTestHarness(PyAPITestHarness): def test_distribmat(): - harness = DistribmatTestHarness('statepoint.5.h5') + harness = DistribmatTestHarness('statepoint.5.h5', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat b/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat index 7348663e8..225b23ffa 100644 --- a/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat +++ b/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat @@ -1,31 +1,30 @@ - - - - - - - - - - - - - - eigenvalue - 1000 - 7 - 3 - 3 - - - -4.0 -4.0 -4.0 4.0 4.0 4.0 - - - - - - - flux - - + + + + + + + + + + + + + eigenvalue + 1000 + 7 + 3 + 3 + + + -4.0 -4.0 -4.0 4.0 4.0 4.0 + + + + + + flux + + + diff --git a/tests/regression_tests/energy_cutoff/inputs_true.dat b/tests/regression_tests/energy_cutoff/inputs_true.dat index bb02369dc..e874a0c7a 100644 --- a/tests/regression_tests/energy_cutoff/inputs_true.dat +++ b/tests/regression_tests/energy_cutoff/inputs_true.dat @@ -1,42 +1,41 @@ - - - - - - - - - - - - - - - - - - - fixed source - 100 - 10 - - - -1 -1 -1 1 1 1 - - - - - 4.0 - - - - - - 0.0 4.0 - - - 1 - flux - - + + + + + + + + + + + + + + + + + + fixed source + 100 + 10 + + + -1 -1 -1 1 1 1 + + + + + 4.0 + + + + + 0.0 4.0 + + + 1 + flux + + + diff --git a/tests/regression_tests/energy_cutoff/test.py b/tests/regression_tests/energy_cutoff/test.py index d76edd9a0..e05d17f5f 100755 --- a/tests/regression_tests/energy_cutoff/test.py +++ b/tests/regression_tests/energy_cutoff/test.py @@ -4,7 +4,8 @@ from tests.testing_harness import PyAPITestHarness class EnergyCutoffTestHarness(PyAPITestHarness): - def _build_inputs(self): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) # Set energy cutoff energy_cutoff = 4.0 @@ -12,8 +13,7 @@ class EnergyCutoffTestHarness(PyAPITestHarness): mat = openmc.Material(material_id=1, name='mat') mat.set_density('atom/b-cm', 0.069335) mat.add_nuclide('H1', 40.0) - materials_file = openmc.Materials([mat]) - materials_file.export_to_xml() + self._model.materials = openmc.Materials([mat]) # Cell is box with reflective boundary x1 = openmc.XPlane(surface_id=1, x0=-1) @@ -29,8 +29,7 @@ class EnergyCutoffTestHarness(PyAPITestHarness): box.fill = mat root = openmc.Universe(universe_id=0, name='root universe') root.add_cell(box) - geometry = openmc.Geometry(root) - geometry.export_to_xml() + self._model.geometry = openmc.Geometry(root) # Set the running parameters settings_file = openmc.Settings() @@ -43,7 +42,7 @@ class EnergyCutoffTestHarness(PyAPITestHarness): watt_dist = openmc.stats.Watt() settings_file.source = openmc.source.Source(space=uniform_dist, energy=watt_dist) - settings_file.export_to_xml() + self._model.settings = settings_file # Tally flux under energy cutoff tallies = openmc.Tallies() @@ -52,7 +51,7 @@ class EnergyCutoffTestHarness(PyAPITestHarness): energy_filter = openmc.filter.EnergyFilter((0.0, energy_cutoff)) tally.filters = [energy_filter] tallies.append(tally) - tallies.export_to_xml() + self._model.tallies = tallies def _get_results(self): """Digest info in the statepoint and return as a string.""" @@ -70,5 +69,5 @@ class EnergyCutoffTestHarness(PyAPITestHarness): def test_energy_cutoff(): - harness = EnergyCutoffTestHarness('statepoint.10.h5') + harness = EnergyCutoffTestHarness('statepoint.10.h5', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/energy_laws/inputs_true.dat b/tests/regression_tests/energy_laws/inputs_true.dat index 2320b21d5..c89ccc97e 100644 --- a/tests/regression_tests/energy_laws/inputs_true.dat +++ b/tests/regression_tests/energy_laws/inputs_true.dat @@ -1,23 +1,23 @@ - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 10 - 5 - + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + diff --git a/tests/regression_tests/external_moab/inputs_true.dat b/tests/regression_tests/external_moab/inputs_true.dat index af259eee4..2bcbad0df 100644 --- a/tests/regression_tests/external_moab/inputs_true.dat +++ b/tests/regression_tests/external_moab/inputs_true.dat @@ -1,73 +1,72 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 100 - 10 - - - 0.0 0.0 0.0 - - - - 15000000.0 1.0 - - - - - - - test_mesh_tets.h5m - - - 1 - - - 1 - flux - tracklength - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 100 + 10 + + + 0.0 0.0 0.0 + + + + 15000000.0 1.0 + + + + + + test_mesh_tets.h5m + + + 1 + + + 1 + flux + tracklength + + + diff --git a/tests/regression_tests/external_moab/test.py b/tests/regression_tests/external_moab/test.py index b9d307239..12e0e5425 100644 --- a/tests/regression_tests/external_moab/test.py +++ b/tests/regression_tests/external_moab/test.py @@ -162,8 +162,6 @@ def test_external_mesh(cpp_driver): water_mat.set_density("atom/b-cm", 0.07416) materials.append(water_mat) - materials.export_to_xml() - # Geometry fuel_min_x = openmc.XPlane(-5.0, name="minimum x") fuel_max_x = openmc.XPlane(5.0, name="maximum x") diff --git a/tests/regression_tests/filter_cellinstance/inputs_true.dat b/tests/regression_tests/filter_cellinstance/inputs_true.dat index f9d3ca58d..d00aae75d 100644 --- a/tests/regression_tests/filter_cellinstance/inputs_true.dat +++ b/tests/regression_tests/filter_cellinstance/inputs_true.dat @@ -1,65 +1,64 @@ - - - - - - - - - 2 2 - 4 4 - -4 -4 - + + + + + + + + + + + + + + + + + + + + 2 2 + 4 4 + -4 -4 + 2 3 3 3 3 2 3 3 3 3 2 3 3 3 3 2 - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 0 - - - 0.0 0.0 0.0 - - - - - - - 4 0 4 1 4 2 4 3 4 4 4 5 4 6 4 7 4 8 4 9 4 10 4 11 2 0 2 1 2 2 2 3 3 0 3 1 3 2 3 3 - - - 3 3 3 2 3 1 3 0 2 3 2 2 2 1 2 0 4 11 4 10 4 9 4 8 4 7 4 6 4 5 4 4 4 3 4 2 4 1 4 0 - - - 1 - total - - - 2 - total - - + + + + + + + + + + eigenvalue + 1000 + 5 + 0 + + + 0.0 0.0 0.0 + + + + + + 4 0 4 1 4 2 4 3 4 4 4 5 4 6 4 7 4 8 4 9 4 10 4 11 2 0 2 1 2 2 2 3 3 0 3 1 3 2 3 3 + + + 3 3 3 2 3 1 3 0 2 3 2 2 2 1 2 0 4 11 4 10 4 9 4 8 4 7 4 6 4 5 4 4 4 3 4 2 4 1 4 0 + + + 1 + total + + + 2 + total + + + diff --git a/tests/regression_tests/filter_distribcell/case-4/geometry.xml b/tests/regression_tests/filter_distribcell/case-4/geometry.xml deleted file mode 100644 index c835218bc..000000000 --- a/tests/regression_tests/filter_distribcell/case-4/geometry.xml +++ /dev/null @@ -1,23 +0,0 @@ - - - - - - - - 1.0 - 3 -
0.0 0.0
- - 1 -1 1 - 1 -1 1 - 1 - - - - - - - diff --git a/tests/regression_tests/filter_distribcell/case-4/materials.xml b/tests/regression_tests/filter_distribcell/case-4/materials.xml deleted file mode 100644 index 2eb744fe6..000000000 --- a/tests/regression_tests/filter_distribcell/case-4/materials.xml +++ /dev/null @@ -1,19 +0,0 @@ - - - - - - - - - - - - - - - - - - - diff --git a/tests/regression_tests/filter_distribcell/case-4/model.xml b/tests/regression_tests/filter_distribcell/case-4/model.xml new file mode 100644 index 000000000..869421919 --- /dev/null +++ b/tests/regression_tests/filter_distribcell/case-4/model.xml @@ -0,0 +1,61 @@ + + + + + + + + + + + + + + + + + + + + + + + + + 1.0 + 3 +
0.0 0.0
+ + 1 +1 1 + 1 +1 1 + 1 + + + + + + + + + eigenvalue + 1000 + 1 + 0 + + + -1.0 -1.0 -1.0 1.0 1.0 1.0 + + + + + + 101 + + + 1 + total + + + diff --git a/tests/regression_tests/filter_distribcell/case-4/settings.xml b/tests/regression_tests/filter_distribcell/case-4/settings.xml deleted file mode 100644 index f3f0779bc..000000000 --- a/tests/regression_tests/filter_distribcell/case-4/settings.xml +++ /dev/null @@ -1,12 +0,0 @@ - - - eigenvalue - 1000 - 1 - 0 - - - -1 -1 -1 1 1 1 - - - diff --git a/tests/regression_tests/filter_distribcell/case-4/tallies.xml b/tests/regression_tests/filter_distribcell/case-4/tallies.xml deleted file mode 100644 index b923c030b..000000000 --- a/tests/regression_tests/filter_distribcell/case-4/tallies.xml +++ /dev/null @@ -1,14 +0,0 @@ - - - - - distribcell - 101 - - - - 1 - total - - - diff --git a/tests/regression_tests/filter_energyfun/inputs_true.dat b/tests/regression_tests/filter_energyfun/inputs_true.dat index db7f91ed0..706c70e34 100644 --- a/tests/regression_tests/filter_energyfun/inputs_true.dat +++ b/tests/regression_tests/filter_energyfun/inputs_true.dat @@ -1,106 +1,105 @@ - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 0 - - - - - 1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0 - 0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48 - linear-linear - - - 1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0 - 0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48 - log-log - - - 1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0 - 0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48 - linear-log - - - 1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0 - 0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48 - log-linear - - - 0.0 5000000.0 10000000.0 15000000.0 - 0.2 0.7 0.7 0.2 - linear-linear - - - 0.0 5000000.0 10000000.0 15000000.0 - 0.2 0.7 0.7 0.2 - quadratic - - - 0.0 5000000.0 10000000.0 15000000.0 - 0.2 0.7 0.7 0.2 - cubic - - - 0.0 5000000.0 10000000.0 15000000.0 - 0.2 0.7 0.7 0.2 - histogram - - - Am241 - (n,gamma) - - - 1 - Am241 - (n,gamma) - - - 3 - Am241 - (n,gamma) - - - 4 - Am241 - (n,gamma) - - - 5 - Am241 - (n,gamma) - - - 6 - Am241 - (n,gamma) - - - 7 - Am241 - (n,gamma) - - - 8 - Am241 - (n,gamma) - - - 9 - Am241 - (n,gamma) - - + + + + + + + + + + + + + eigenvalue + 1000 + 5 + 0 + + + + 1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0 + 0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48 + linear-linear + + + 1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0 + 0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48 + log-log + + + 1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0 + 0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48 + linear-log + + + 1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0 + 0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48 + log-linear + + + 0.0 5000000.0 10000000.0 15000000.0 + 0.2 0.7 0.7 0.2 + linear-linear + + + 0.0 5000000.0 10000000.0 15000000.0 + 0.2 0.7 0.7 0.2 + quadratic + + + 0.0 5000000.0 10000000.0 15000000.0 + 0.2 0.7 0.7 0.2 + cubic + + + 0.0 5000000.0 10000000.0 15000000.0 + 0.2 0.7 0.7 0.2 + histogram + + + Am241 + (n,gamma) + + + 1 + Am241 + (n,gamma) + + + 3 + Am241 + (n,gamma) + + + 4 + Am241 + (n,gamma) + + + 5 + Am241 + (n,gamma) + + + 6 + Am241 + (n,gamma) + + + 7 + Am241 + (n,gamma) + + + 8 + Am241 + (n,gamma) + + + 9 + Am241 + (n,gamma) + + + diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat index d0c481d60..d0b617903 100644 --- a/tests/regression_tests/filter_mesh/inputs_true.dat +++ b/tests/regression_tests/filter_mesh/inputs_true.dat @@ -1,150 +1,151 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 0 - - - - - 5 - -7.5 - 7.5 - - - 5 5 - -7.5 -7.5 - 7.5 7.5 - - - 5 5 5 - -7.5 -7.5 -7.5 - 7.5 7.5 7.5 - - - -7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5 - -7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5 - 1.0 1.223224374241637 1.4962778697388448 1.8302835609029084 2.2388474634702153 2.7386127875258306 3.3499379133114306 4.09772570775871 5.012437964687018 6.131336292779302 7.500000000000001 - - - 0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5 - 0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586 - -7.5 -6.5625 -5.625 -4.6875 -3.75 -2.8125 -1.875 -0.9375 0.0 0.9375 1.875 2.8125 3.75 4.6875 5.625 6.5625 7.5 - - - 0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5 - 0.0 0.39269908169872414 0.7853981633974483 1.1780972450961724 1.5707963267948966 1.9634954084936207 2.356194490192345 2.748893571891069 3.141592653589793 - 0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586 - - - 1 - - - 1 - - - 2 - - - 2 - - - 3 - - - 3 - - - 4 - - - 4 - - - 5 - - - 5 - - - 6 - - - 6 - - - 1 - total - - - 7 - current - - - 2 - total - - - 8 - current - - - 3 - total - - - 9 - current - - - 4 - total - - - 10 - current - - - 5 - total - - - 11 - current - - - 6 - total - - - 12 - current - - + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 5 + 0 + + + + 5 + -7.5 + 7.5 + + + 5 5 + -7.5 -7.5 + 7.5 7.5 + + + 5 5 5 + -7.5 -7.5 -7.5 + 7.5 7.5 7.5 + + + -7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5 + -7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5 + 1.0 1.223224374241637 1.4962778697388448 1.8302835609029084 2.2388474634702153 2.7386127875258306 3.3499379133114306 4.09772570775871 5.012437964687018 6.131336292779302 7.500000000000001 + + + 0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5 + 0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586 + -7.5 -6.5625 -5.625 -4.6875 -3.75 -2.8125 -1.875 -0.9375 0.0 0.9375 1.875 2.8125 3.75 4.6875 5.625 6.5625 7.5 + 0.0 0.0 0.0 + + + 0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5 + 0.0 0.39269908169872414 0.7853981633974483 1.1780972450961724 1.5707963267948966 1.9634954084936207 2.356194490192345 2.748893571891069 3.141592653589793 + 0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586 + 0.0 0.0 0.0 + + + 1 + + + 1 + + + 2 + + + 2 + + + 3 + + + 3 + + + 4 + + + 4 + + + 5 + + + 5 + + + 6 + + + 6 + + + 1 + total + + + 7 + current + + + 2 + total + + + 8 + current + + + 3 + total + + + 9 + current + + + 4 + total + + + 10 + current + + + 5 + total + + + 11 + current + + + 6 + total + + + 12 + current + + + diff --git a/tests/regression_tests/filter_translations/inputs_true.dat b/tests/regression_tests/filter_translations/inputs_true.dat index d38bec39f..8ed705413 100644 --- a/tests/regression_tests/filter_translations/inputs_true.dat +++ b/tests/regression_tests/filter_translations/inputs_true.dat @@ -1,84 +1,83 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 0 - - - - - 3 4 5 - -9 -9 -9 - 9 9 9 - - - -9.0 0.0 9.0 - -9.0 -3.0 3.0 9.0 - -9.0 -4.5 0.0 4.5 9.0 - - - 3 4 5 - -19 -4 -9 - -1 14 9 - - - -19.0 -10.0 -1.0 - -4.0 2.0 8.0 14.0 - -9.0 -4.5 0.0 4.5 9.0 - - - 1 - - - 2 - - - 3 - - - 4 - - - 1 - total - - - 2 - total - - - 3 - total - - - 4 - total - - + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 5 + 0 + + + + 3 4 5 + -9 -9 -9 + 9 9 9 + + + -9.0 0.0 9.0 + -9.0 -3.0 3.0 9.0 + -9.0 -4.5 0.0 4.5 9.0 + + + 3 4 5 + -19 -4 -9 + -1 14 9 + + + -19.0 -10.0 -1.0 + -4.0 2.0 8.0 14.0 + -9.0 -4.5 0.0 4.5 9.0 + + + 1 + + + 2 + + + 3 + + + 4 + + + 1 + total + + + 2 + total + + + 3 + total + + + 4 + total + + + diff --git a/tests/regression_tests/fixed_source/inputs_true.dat b/tests/regression_tests/fixed_source/inputs_true.dat index f1aebb3b2..57dcdb724 100644 --- a/tests/regression_tests/fixed_source/inputs_true.dat +++ b/tests/regression_tests/fixed_source/inputs_true.dat @@ -1,31 +1,30 @@ - - - - - - - - - - - - - - - fixed source - 100 - 10 - - - 0.0 0.0 0.0 - - - 294 - - - - - flux - - + + + + + + + + + + + + + + fixed source + 100 + 10 + + + 0.0 0.0 0.0 + + + 294 + + + + flux + + + diff --git a/tests/regression_tests/infinite_cell/geometry.xml b/tests/regression_tests/infinite_cell/geometry.xml deleted file mode 100644 index 90bd2233b..000000000 --- a/tests/regression_tests/infinite_cell/geometry.xml +++ /dev/null @@ -1,17 +0,0 @@ - - - - - - - - 11 12 - 12 11 - - - - - - - diff --git a/tests/regression_tests/infinite_cell/materials.xml b/tests/regression_tests/infinite_cell/materials.xml deleted file mode 100644 index 6acd8df74..000000000 --- a/tests/regression_tests/infinite_cell/materials.xml +++ /dev/null @@ -1,14 +0,0 @@ - - - - - - - - - - - - - - diff --git a/tests/regression_tests/infinite_cell/model.xml b/tests/regression_tests/infinite_cell/model.xml new file mode 100644 index 000000000..0f741a86d --- /dev/null +++ b/tests/regression_tests/infinite_cell/model.xml @@ -0,0 +1,39 @@ + + + + + + + + + + + + + + + + + + 2.0 2.0 + 12 + 2 2 + -2.0 -2.0 + +11 12 +12 11 + + + + + eigenvalue + 1000 + 10 + 5 + + + -4.0 -4.0 -4.0 4.0 4.0 4.0 + + + + diff --git a/tests/regression_tests/infinite_cell/settings.xml b/tests/regression_tests/infinite_cell/settings.xml deleted file mode 100644 index 70b4e802f..000000000 --- a/tests/regression_tests/infinite_cell/settings.xml +++ /dev/null @@ -1,15 +0,0 @@ - - - - eigenvalue - 10 - 5 - 1000 - - - - -4 -4 -4 4 4 4 - - - - diff --git a/tests/regression_tests/iso_in_lab/inputs_true.dat b/tests/regression_tests/iso_in_lab/inputs_true.dat index 2a302ada6..6dd8578ff 100644 --- a/tests/regression_tests/iso_in_lab/inputs_true.dat +++ b/tests/regression_tests/iso_in_lab/inputs_true.dat @@ -1,38 +1,199 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 1.26 1.26 - 17 17 - -10.71 -10.71 - + + + + + + + + + + U234 U235 U238 Xe135 O16 + + + + + + + + + Zr90 Zr91 Zr92 Zr94 Zr96 + + + + + + + + + H1 O16 B10 B11 + + + + + + + + + H1 O16 B10 B11 + + + + + + + + + + + + + + Fe54 Fe56 Fe57 Fe58 Ni58 Ni60 Mn55 Cr52 C0 Cu63 + + + + + + + + + + + + + + + + H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52 + + + + + + + + + + + + + + + + H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52 + + + + + + + + + + + + + + + + H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52 + + + + + + + + + + + + + + + + H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52 + + + + + + + + + + + + + + + + H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52 + + + + + + + + + + + + + + H1 O16 B10 B11 Zr90 Zr91 Zr92 Zr94 Zr96 + + + + + + + + + + + + + + H1 O16 B10 B11 Zr90 Zr91 Zr92 Zr94 Zr96 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 1.26 1.26 + 17 17 + -10.71 -10.71 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 @@ -50,12 +211,12 @@ 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 - - - 1.26 1.26 - 17 17 - -10.71 -10.71 - + + + 1.26 1.26 + 17 17 + -10.71 -10.71 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 @@ -73,12 +234,12 @@ 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 - - - 21.42 21.42 - 21 21 - -224.91 -224.91 - + + + 21.42 21.42 + 21 21 + -224.91 -224.91 + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 @@ -100,12 +261,12 @@ 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 - - - 21.42 21.42 - 21 21 - -224.91 -224.91 - + + + 21.42 21.42 + 21 21 + -224.91 -224.91 + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 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 @@ -127,195 +288,34 @@ 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 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - U234 U235 U238 Xe135 O16 - - - - - - - - - Zr90 Zr91 Zr92 Zr94 Zr96 - - - - - - - - - H1 O16 B10 B11 - - - - - - - - - H1 O16 B10 B11 - - - - - - - - - - - - - - Fe54 Fe56 Fe57 Fe58 Ni58 Ni60 Mn55 Cr52 C0 Cu63 - - - - - - - - - - - - - - - - H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52 - - - - - - - - - - - - - - - - H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52 - - - - - - - - - - - - - - - - H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52 - - - - - - - - - - - - - - - - H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52 - - - - - - - - - - - - - - - - H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52 - - - - - - - - - - - - - - H1 O16 B10 B11 Zr90 Zr91 Zr92 Zr94 Zr96 - - - - - - - - - - - - - - H1 O16 B10 B11 Zr90 Zr91 Zr92 Zr94 Zr96 - - - - - eigenvalue - 100 - 10 - 5 - - - -160 -160 -183 160 160 183 - - - + + + + + + + + + + + + + + + + + + + + + eigenvalue + 100 + 10 + 5 + + + -160 -160 -183 160 160 183 + + + + diff --git a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat index 0388a4f55..639235726 100644 --- a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat +++ b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat @@ -1,81 +1,81 @@ - - - - - - - - - - - 1.4 - 11 -
0.0 0.0
- - 10 -10 10 - 9 -10 10 - 10 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 2 - - - -0.9899494936611666 -0.9899494936611666 0.0 0.9899494936611666 0.9899494936611666 10.0 - - - - false - - 22 - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 1.4 + 3 +
0.0 0.0
+ + 2 +2 2 + 1 +2 2 + 2 + + + + + + + + + + + + + + + + eigenvalue + 1000 + 5 + 2 + + + -0.9899494936611666 -0.9899494936611666 0.0 0.9899494936611666 0.9899494936611666 10.0 + + + + false + + 22 + + diff --git a/tests/regression_tests/lattice_hex_coincident/test.py b/tests/regression_tests/lattice_hex_coincident/test.py index 30bc470f2..fae7f939b 100644 --- a/tests/regression_tests/lattice_hex_coincident/test.py +++ b/tests/regression_tests/lattice_hex_coincident/test.py @@ -6,7 +6,8 @@ from tests.testing_harness import PyAPITestHarness class HexLatticeCoincidentTestHarness(PyAPITestHarness): - def _build_inputs(self): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) materials = openmc.Materials() fuel_mat = openmc.Material() @@ -40,7 +41,7 @@ class HexLatticeCoincidentTestHarness(PyAPITestHarness): zirc.add_nuclide('Zr96', 1.131E-03, 'ao') materials.append(zirc) - materials.export_to_xml() + self._model.materials = materials ### Geometry ### pin_rad = 0.7 # cm @@ -124,8 +125,7 @@ class HexLatticeCoincidentTestHarness(PyAPITestHarness): root_univ = openmc.Universe(name="root universe", cells=[pincell_only_cell,]) - geom = openmc.Geometry(root_univ) - geom.export_to_xml() + self._model.geometry = openmc.Geometry(root_univ) ### Settings ### @@ -144,8 +144,9 @@ class HexLatticeCoincidentTestHarness(PyAPITestHarness): settings.inactive = 2 settings.particles = 1000 settings.seed = 22 - settings.export_to_xml() + self._model.settings = settings def test_lattice_hex_coincident_surf(): - harness = HexLatticeCoincidentTestHarness('statepoint.5.h5') + harness = HexLatticeCoincidentTestHarness('statepoint.5.h5', + model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/lattice_hex_x/inputs_true.dat b/tests/regression_tests/lattice_hex_x/inputs_true.dat index b528a97b7..2cff10f75 100644 --- a/tests/regression_tests/lattice_hex_x/inputs_true.dat +++ b/tests/regression_tests/lattice_hex_x/inputs_true.dat @@ -1,23 +1,53 @@ - - - - - - - - - - - - - - - - 1.235 5.0 - 4 -
0.0 0.0 5.0
- + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 1.235 5.0 + 4 +
0.0 0.0 5.0
+ 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 @@ -60,64 +90,34 @@ 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 10 - 5 - - - -13.62546635287517 -13.62546635287517 0.0 13.62546635287517 13.62546635287517 10.0 - - - 22 - + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + + -13.62546635287517 -13.62546635287517 0.0 13.62546635287517 13.62546635287517 10.0 + + + 22 + + diff --git a/tests/regression_tests/lattice_hex_x/test.py b/tests/regression_tests/lattice_hex_x/test.py index ecb27c9c2..e582c68ae 100644 --- a/tests/regression_tests/lattice_hex_x/test.py +++ b/tests/regression_tests/lattice_hex_x/test.py @@ -4,8 +4,8 @@ import numpy as np class HexLatticeOXTestHarness(PyAPITestHarness): - - def _build_inputs(self): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) materials = openmc.Materials() fuel_mat = openmc.Material(material_id=1, name="UO2") @@ -35,7 +35,7 @@ class HexLatticeOXTestHarness(PyAPITestHarness): zirc.add_element('Zr', 4.23e-2) materials.append(zirc) - materials.export_to_xml() + self._model.materials = materials # Geometry # @@ -165,7 +165,7 @@ class HexLatticeOXTestHarness(PyAPITestHarness): (4, 21), (5, 20), (4, 27), (5, 25), (4, 33)] for i, j in channels: universes[i][j] = abs_ch_univ - lattice = openmc.HexLattice(name="regular fuel assembly") + lattice = openmc.HexLattice(lattice_id=6, name="regular fuel assembly") lattice.orientation = "x" lattice.center = (0., 0., length/2.0) lattice.pitch = (assembly_pitch, length/2.0) @@ -180,8 +180,7 @@ class HexLatticeOXTestHarness(PyAPITestHarness): root_univ = openmc.Universe(universe_id=5, name="root universe", cells=[assembly_cell]) - geom = openmc.Geometry(root_univ) - geom.export_to_xml() + self._model.geometry = openmc.Geometry(root_univ) # Settings # @@ -198,9 +197,9 @@ class HexLatticeOXTestHarness(PyAPITestHarness): settings.inactive = 5 settings.particles = 1000 settings.seed = 22 - settings.export_to_xml() + self._model.settings = settings def test_lattice_hex_ox_surf(): - harness = HexLatticeOXTestHarness('statepoint.10.h5') + harness = HexLatticeOXTestHarness('statepoint.10.h5', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/lattice_multiple/inputs_true.dat b/tests/regression_tests/lattice_multiple/inputs_true.dat index c92e841bc..0eed3c201 100644 --- a/tests/regression_tests/lattice_multiple/inputs_true.dat +++ b/tests/regression_tests/lattice_multiple/inputs_true.dat @@ -1,53 +1,53 @@ - - - - - - - - - 1.2 1.2 - 1 - 2 2 - -1.2 -1.2 - + + + + + + + + + + + + + + + + + + + + + + + 1.2 1.2 + 1 + 2 2 + -1.2 -1.2 + 2 1 1 1 - - - 2.4 2.4 - 2 2 - -2.4 -2.4 - + + + 2.4 2.4 + 2 2 + -2.4 -2.4 + 4 4 4 4 - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 10 - 5 - + + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + diff --git a/tests/regression_tests/lattice_rotated/inputs_true.dat b/tests/regression_tests/lattice_rotated/inputs_true.dat index 8ee34b4f3..8e54bdf88 100644 --- a/tests/regression_tests/lattice_rotated/inputs_true.dat +++ b/tests/regression_tests/lattice_rotated/inputs_true.dat @@ -1,18 +1,35 @@ - - - - - - - - - - - 1.25 - 30 -
0.0 0.0
- + + + + + + + + + + + + + + + + + + + + + + + + + + + + 1.25 + 30 +
0.0 0.0
+ 2 1 1 1 2 1 @@ -22,50 +39,33 @@ 1 1 1 1 1 1 - - - 1.25 1.25 - 30 - 4 4 - -2.5 -2.5 - + + + 1.25 1.25 + 30 + 4 4 + -2.5 -2.5 + 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 0 - - - 0.0 0.0 0.0 - - - + + + + + + + + + eigenvalue + 1000 + 5 + 0 + + + 0.0 0.0 0.0 + + + + diff --git a/tests/regression_tests/mg_basic/inputs_true.dat b/tests/regression_tests/mg_basic/inputs_true.dat index 4f2fd3f0b..06406b5f2 100644 --- a/tests/regression_tests/mg_basic/inputs_true.dat +++ b/tests/regression_tests/mg_basic/inputs_true.dat @@ -1,64 +1,64 @@ - - - - - - - - - - - - - - - - - - 2g.h5 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 10 - 5 - - - 0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0 - - - - false - - multi-group - - false - - + + + 2g.h5 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + + 0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0 + + + + false + + multi-group + + false + + + diff --git a/tests/regression_tests/mg_basic_delayed/inputs_true.dat b/tests/regression_tests/mg_basic_delayed/inputs_true.dat index 9fb7afe7e..05108d87d 100644 --- a/tests/regression_tests/mg_basic_delayed/inputs_true.dat +++ b/tests/regression_tests/mg_basic_delayed/inputs_true.dat @@ -1,63 +1,63 @@ - - - - - - - - - - - - - - - - - - 2g.h5 - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 10 - 5 - - - 0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0 - - - - false - - multi-group - - false - - + + + 2g.h5 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + + 0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0 + + + + false + + multi-group + + false + + + diff --git a/tests/regression_tests/mg_convert/inputs_true.dat b/tests/regression_tests/mg_convert/inputs_true.dat index 753c0d304..9276a7a7b 100644 --- a/tests/regression_tests/mg_convert/inputs_true.dat +++ b/tests/regression_tests/mg_convert/inputs_true.dat @@ -1,29 +1,29 @@ - - - - - - - - - - mgxs.h5 - - - - - - - - eigenvalue - 100 - 10 - 5 - - - -5 -5 -5 5 5 5 - - - multi-group - + + + mgxs.h5 + + + + + + + + + + + + + + eigenvalue + 100 + 10 + 5 + + + -5 -5 -5 5 5 5 + + + multi-group + + diff --git a/tests/regression_tests/mg_convert/test.py b/tests/regression_tests/mg_convert/test.py index c6ab485ea..d9c4a57bd 100755 --- a/tests/regression_tests/mg_convert/test.py +++ b/tests/regression_tests/mg_convert/test.py @@ -61,7 +61,8 @@ def build_mgxs_library(convert): class MGXSTestHarness(PyAPITestHarness): - def _build_inputs(self): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) # Instantiate some Macroscopic Data uo2_data = openmc.Macroscopic('UO2') @@ -73,7 +74,7 @@ class MGXSTestHarness(PyAPITestHarness): # Instantiate a Materials collection and export to XML materials_file = openmc.Materials([mat]) materials_file.cross_sections = "./mgxs.h5" - materials_file.export_to_xml() + self._model.materials = materials_file # Instantiate ZCylinder surfaces left = openmc.XPlane(surface_id=4, x0=-5., name='left') @@ -102,8 +103,7 @@ class MGXSTestHarness(PyAPITestHarness): root.add_cells([fuel]) # Instantiate a Geometry, register the root Universe, and export to XML - geometry = openmc.Geometry(root) - geometry.export_to_xml() + self._model.geometry = openmc.Geometry(root) settings_file = openmc.Settings() settings_file.energy_mode = "multi-group" @@ -116,7 +116,7 @@ class MGXSTestHarness(PyAPITestHarness): uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:]) settings_file.source = openmc.source.Source(space=uniform_dist) - settings_file.export_to_xml() + self._model.settings = settings_file def _run_openmc(self): # Run multiple conversions to compare results @@ -194,5 +194,5 @@ class MGXSTestHarness(PyAPITestHarness): def test_mg_convert(): - harness = MGXSTestHarness('statepoint.10.h5') + harness = MGXSTestHarness('statepoint.10.h5', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/mg_legendre/inputs_true.dat b/tests/regression_tests/mg_legendre/inputs_true.dat index ad3b434e6..d90dfb802 100644 --- a/tests/regression_tests/mg_legendre/inputs_true.dat +++ b/tests/regression_tests/mg_legendre/inputs_true.dat @@ -1,33 +1,33 @@ - - - - - - - - 2g.h5 - - - - - - - - eigenvalue - 1000 - 10 - 5 - - - 0.0 -1000.0 -1000.0 929.45 1000.0 1000.0 - - - - false - - multi-group - - false - - + + + 2g.h5 + + + + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + + 0.0 -1000.0 -1000.0 929.45 1000.0 1000.0 + + + + false + + multi-group + + false + + + diff --git a/tests/regression_tests/mg_max_order/inputs_true.dat b/tests/regression_tests/mg_max_order/inputs_true.dat index 2ac83852c..9bfcd54df 100644 --- a/tests/regression_tests/mg_max_order/inputs_true.dat +++ b/tests/regression_tests/mg_max_order/inputs_true.dat @@ -1,34 +1,34 @@ - - - - - - - - 2g.h5 - - - - - - - - eigenvalue - 1000 - 10 - 5 - - - 0.0 -1000.0 -1000.0 929.45 1000.0 1000.0 - - - - false - - multi-group - 1 - - false - - + + + 2g.h5 + + + + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + + 0.0 -1000.0 -1000.0 929.45 1000.0 1000.0 + + + + false + + multi-group + 1 + + false + + + diff --git a/tests/regression_tests/mg_survival_biasing/inputs_true.dat b/tests/regression_tests/mg_survival_biasing/inputs_true.dat index 5ece3ce9f..a3a2a726f 100644 --- a/tests/regression_tests/mg_survival_biasing/inputs_true.dat +++ b/tests/regression_tests/mg_survival_biasing/inputs_true.dat @@ -1,34 +1,34 @@ - - - - - - - - 2g.h5 - - - - - - - - eigenvalue - 1000 - 10 - 5 - - - 0.0 -1000.0 -1000.0 929.45 1000.0 1000.0 - - - - false - - multi-group - true - - false - - + + + 2g.h5 + + + + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + + 0.0 -1000.0 -1000.0 929.45 1000.0 1000.0 + + + + false + + multi-group + true + + false + + + diff --git a/tests/regression_tests/mg_tallies/inputs_true.dat b/tests/regression_tests/mg_tallies/inputs_true.dat index 562958722..bdd41c7f8 100644 --- a/tests/regression_tests/mg_tallies/inputs_true.dat +++ b/tests/regression_tests/mg_tallies/inputs_true.dat @@ -1,165 +1,164 @@ - - - - - - - - 2g.h5 - - - - - - - - eigenvalue - 1000 - 10 - 5 - - - 0.0 -1000.0 -1000.0 929.45 1000.0 1000.0 - - - - false - - multi-group - - false - - - - - - 10 1 1 - 0.0 0.0 0.0 - 929.45 1000 1000 - - - 1 - - - 1 - - - 0.0 20000000.0 - - - 0.0 20000000.0 - - - 0.0 0.625 20000000.0 - - - 0.0 0.625 20000000.0 - - - 5 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux - analog - - - 5 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux - tracklength - - - 6 1 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux scatter nu-scatter - analog - - - 6 1 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux - collision - - - 6 1 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux - tracklength - - - 6 1 2 - scatter nu-scatter nu-fission - - - 6 3 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux scatter nu-scatter - analog - - - 6 3 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux - collision - - - 6 3 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux - tracklength - - - 6 3 4 - scatter nu-scatter nu-fission - - - 5 - mat_1 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate - analog - - - 5 - mat_1 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate - tracklength - - - 6 1 - mat_1 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate scatter nu-scatter - analog - - - 6 1 - mat_1 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate - collision - - - 6 1 - mat_1 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate - tracklength - - - 6 1 2 - mat_1 - scatter nu-scatter nu-fission - - - 6 3 - mat_1 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate scatter nu-scatter - analog - - - 6 3 - mat_1 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate - collision - - - 6 3 - mat_1 - total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate - tracklength - - - 6 3 4 - mat_1 - scatter nu-scatter nu-fission - - + + + 2g.h5 + + + + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + + 0.0 -1000.0 -1000.0 929.45 1000.0 1000.0 + + + + false + + multi-group + + false + + + + + 10 1 1 + 0.0 0.0 0.0 + 929.45 1000 1000 + + + 1 + + + 1 + + + 0.0 20000000.0 + + + 0.0 20000000.0 + + + 0.0 0.625 20000000.0 + + + 0.0 0.625 20000000.0 + + + 5 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux + analog + + + 5 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux + tracklength + + + 6 1 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux scatter nu-scatter + analog + + + 6 1 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux + collision + + + 6 1 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux + tracklength + + + 6 1 2 + scatter nu-scatter nu-fission + + + 6 3 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux scatter nu-scatter + analog + + + 6 3 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux + collision + + + 6 3 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux + tracklength + + + 6 3 4 + scatter nu-scatter nu-fission + + + 5 + mat_1 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate + analog + + + 5 + mat_1 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate + tracklength + + + 6 1 + mat_1 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate scatter nu-scatter + analog + + + 6 1 + mat_1 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate + collision + + + 6 1 + mat_1 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate + tracklength + + + 6 1 2 + mat_1 + scatter nu-scatter nu-fission + + + 6 3 + mat_1 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate scatter nu-scatter + analog + + + 6 3 + mat_1 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate + collision + + + 6 3 + mat_1 + total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate + tracklength + + + 6 3 4 + mat_1 + scatter nu-scatter nu-fission + + + diff --git a/tests/regression_tests/mg_temperature/build_2g.py b/tests/regression_tests/mg_temperature/build_2g.py index 1256ca0f7..42f948be1 100644 --- a/tests/regression_tests/mg_temperature/build_2g.py +++ b/tests/regression_tests/mg_temperature/build_2g.py @@ -1,297 +1,296 @@ -import openmc -import numpy as np - -names = ['H', 'O', 'Zr', 'U235', 'U238'] - - -def build_openmc_xs_lib(name, groups, temperatures, xsdict, micro=True): - """Build an Openm XSdata based on dictionary values""" - xsdata = openmc.XSdata(name, groups, temperatures=temperatures) - xsdata.order = 0 - for tt in temperatures: - xsdata.set_absorption(xsdict[tt]['absorption'][name], temperature=tt) - xsdata.set_scatter_matrix(xsdict[tt]['scatter'][name], temperature=tt) - xsdata.set_total(xsdict[tt]['total'][name], temperature=tt) - if (name in xsdict[tt]['nu-fission'].keys()): - xsdata.set_nu_fission(xsdict[tt]['nu-fission'][name], - temperature=tt) - xsdata.set_chi(np.array([1., 0.]), temperature=tt) - return xsdata - - -def create_micro_xs_dict(): - """Returns micro xs library""" - xs_micro = {} - reactions = ['absorption', 'total', 'scatter', 'nu-fission'] - # chi is unnecessary when energy bound is in thermal region - # Temperature 300K - # absorption - xs_micro[300] = {r: {} for r in reactions} - xs_micro[300]['absorption']['H'] = np.array([1.0285E-4, 0.0057]) - xs_micro[300]['absorption']['O'] = np.array([7.1654E-5, 3.0283E-6]) - xs_micro[300]['absorption']['Zr'] = np.array([4.5918E-5, 3.6303E-5]) - xs_micro[300]['absorption']['U235'] = np.array([0.0035, 0.1040]) - xs_micro[300]['absorption']['U238'] = np.array([0.0056, 0.0094]) - # nu-scatter matrix - xs_micro[300]['scatter']['H'] = np.array([[[0.0910, 0.01469], - [0.0, 0.3316]]]) - xs_micro[300]['scatter']['O'] = np.array([[[0.0814, 3.3235E-4], - [0.0, 0.0960]]]) - xs_micro[300]['scatter']['Zr'] = np.array([[[0.0311, 2.6373E-5], - [0.0, 0.0315]]]) - xs_micro[300]['scatter']['U235'] = np.array([[[0.0311, 2.6373E-5], - [0.0, 0.0315]]]) - xs_micro[300]['scatter']['U238'] = np.array([[[0.0551, 2.2341E-5], - [0.0, 0.0526]]]) - # nu-fission - xs_micro[300]['nu-fission']['U235'] = np.array([0.0059, 0.2160]) - xs_micro[300]['nu-fission']['U238'] = np.array([0.0019, 1.4627E-7]) - # total - xs_micro[300]['total']['H'] = xs_micro[300]['absorption']['H'] + \ - np.sum(xs_micro[300]['scatter']['H'][0], 1) - xs_micro[300]['total']['O'] = xs_micro[300]['absorption']['O'] + \ - np.sum(xs_micro[300]['scatter']['O'][0], 1) - - xs_micro[300]['total']['Zr'] = xs_micro[300]['absorption']['Zr'] + \ - np.sum(xs_micro[300]['scatter']['Zr'][0], 1) - - xs_micro[300]['total']['U235'] = xs_micro[300]['absorption']['U235'] + \ - np.sum(xs_micro[300]['scatter']['U235'][0], 1) - - xs_micro[300]['total']['U238'] = xs_micro[300]['absorption']['U238'] + \ - np.sum(xs_micro[300]['scatter']['U238'][0], 1) - - # Temperature 600K - xs_micro[600] = {r: {} for r in reactions} - # absorption - xs_micro[600]['absorption']['H'] = np.array([1.0356E-4, 0.0046]) - xs_micro[600]['absorption']['O'] = np.array([7.2678E-5, 2.4963E-6]) - xs_micro[600]['absorption']['Zr'] = np.array([4.7256E-5, 2.9757E-5]) - xs_micro[600]['absorption']['U235'] = np.array([0.0035, 0.0853]) - xs_micro[600]['absorption']['U238'] = np.array([0.0058, 0.0079]) - # nu-scatter matrix - xs_micro[600]['scatter']['H'] = np.array([[[0.0910, 0.0138], - [0.0, 0.3316]]]) - xs_micro[600]['scatter']['O'] = np.array([[[0.0814, 3.5367E-4], - [0.0, 0.0959]]]) - xs_micro[600]['scatter']['Zr'] = np.array([[[0.0311, 3.2293E-5], - [0.0, 0.0314]]]) - xs_micro[600]['scatter']['U235'] = np.array([[[0.0022, 1.9763E-6], - [9.1634E-8, 0.0039]]]) - xs_micro[600]['scatter']['U238'] = np.array([[[0.0556, 2.8803E-5], - [0.0, 0.0536]]]) - # nu-fission - xs_micro[600]['nu-fission']['U235'] = np.array([0.0059, 0.1767]) - xs_micro[600]['nu-fission']['U238'] = np.array([0.0019, 1.2405E-7]) - # total - xs_micro[600]['total']['H'] = xs_micro[600]['absorption']['H'] + \ - np.sum(xs_micro[600]['scatter']['H'][0], 1) - xs_micro[600]['total']['O'] = xs_micro[600]['absorption']['O'] + \ - np.sum(xs_micro[600]['scatter']['O'][0], 1) - - xs_micro[600]['total']['Zr'] = xs_micro[600]['absorption']['Zr'] + \ - np.sum(xs_micro[600]['scatter']['Zr'][0], 1) - - xs_micro[600]['total']['U235'] = xs_micro[600]['absorption']['U235'] + \ - np.sum(xs_micro[600]['scatter']['U235'][0], 1) - - xs_micro[600]['total']['U238'] = xs_micro[600]['absorption']['U238'] + \ - np.sum(xs_micro[600]['scatter']['U238'][0], 1) - - # Temperature 900K - xs_micro[900] = {r: {} for r in reactions} - # absorption - xs_micro[900]['absorption']['H'] = np.array([1.0529E-4, 0.0040]) - xs_micro[900]['absorption']['O'] = np.array([7.3055E-5, 2.1850E-6]) - xs_micro[900]['absorption']['Zr'] = np.array([4.7141E-5, 2.5941E-5]) - xs_micro[900]['absorption']['U235'] = np.array([0.0035, 0.0749]) - xs_micro[900]['absorption']['U238'] = np.array([0.0060, 0.0071]) - # total - xs_micro[900]['total']['H'] = np.array([0.2982, 0.7332]) - xs_micro[900]['total']['O'] = np.array([0.0885, 0.1004]) - xs_micro[900]['total']['Zr'] = np.array([0.0370, 0.0317]) - xs_micro[900]['total']['U235'] = np.array([0.0061, 0.0789]) - xs_micro[900]['total']['U238'] = np.array([0.0707, 0.0613]) - # nu-scatter matrix - xs_micro[900]['scatter']['H'] = np.array([[[0.0913, 0.0147], - [0.0, 0.4020]]]) - xs_micro[900]['scatter']['O'] = np.array([[[0.0812, 4.0413E-4], - [0.0, 0.0965]]]) - xs_micro[900]['scatter']['Zr'] = np.array([[[0.0311, 3.6735E-5], - [0.0, 0.0314]]]) - xs_micro[900]['scatter']['U235'] = np.array([[[0.0022, 2.9034E-6], - [1.3117E-8, 0.0039]]]) - xs_micro[900]['scatter']['U238'] = np.array([[[0.0560, 3.7619E-5], - [0.0, 0.0538]]]) - # nu-fission - xs_micro[900]['nu-fission']['U235'] = np.array([0.0059, 0.1545]) - xs_micro[900]['nu-fission']['U238'] = np.array([0.0019, 1.1017E-7]) - # total - xs_micro[900]['total']['H'] = xs_micro[900]['absorption']['H'] + \ - np.sum(xs_micro[900]['scatter']['H'][0], 1) - xs_micro[900]['total']['O'] = xs_micro[900]['absorption']['O'] + \ - np.sum(xs_micro[900]['scatter']['O'][0], 1) - - xs_micro[900]['total']['Zr'] = xs_micro[900]['absorption']['Zr'] + \ - np.sum(xs_micro[900]['scatter']['Zr'][0], 1) - - xs_micro[900]['total']['U235'] = xs_micro[900]['absorption']['U235'] + \ - np.sum(xs_micro[900]['scatter']['U235'][0], 1) - - xs_micro[900]['total']['U238'] = xs_micro[900]['absorption']['U238'] + \ - np.sum(xs_micro[900]['scatter']['U238'][0], 1) - - # roll axis for scatter matrix - for t in xs_micro: - for n in xs_micro[t]['scatter']: - xs_micro[t]['scatter'][n] = np.rollaxis(xs_micro[t]['scatter'][n], - 0, 3) - return xs_micro - - -def create_macro_dict(xs_micro): - """Create a dictionary with two group cross-section""" - xs_macro = {} - for t, d1 in xs_micro.items(): - xs_macro[t] = {} - for r, d2 in d1.items(): - temp = [] - xs_macro[t][r] = {} - for n, v in d2.items(): - temp.append(d2[n]) - # The name 'macro' is needed to store data at the same level - # of a xs_macro dictionary as for xs_micro and use it in - # function build_openmc_xs_lib - xs_macro[t][r]['macro'] = sum(temp) - return xs_macro - - -def create_openmc_2mg_libs(names): - """Built a micro/macro two group openmc MGXS libraries""" - # Initialized library params - group_edges = [0.0, 0.625, 20.0e6] - groups = openmc.mgxs.EnergyGroups(group_edges=group_edges) - mg_cross_sections_file_micro = openmc.MGXSLibrary(groups) - mg_cross_sections_file_macro = openmc.MGXSLibrary(groups) - # Building a micro mg library - micro_cs = create_micro_xs_dict() - for name in names: - mg_cross_sections_file_micro.add_xsdata(build_openmc_xs_lib(name, - groups, - [t for t in - micro_cs], - micro_cs)) - # Building a macro mg library - macro_xs = create_macro_dict(micro_cs) - mg_cross_sections_file_macro.add_xsdata(build_openmc_xs_lib('macro', - groups, - [t for t in - macro_xs], - macro_xs)) - # Exporting library to hdf5 files - mg_cross_sections_file_micro.export_to_hdf5('micro_2g.h5') - mg_cross_sections_file_macro.export_to_hdf5('macro_2g.h5') - # Returning the macro_xs dict is needed for analytical solution - return macro_xs - - -def analytical_solution_2g_therm(xsmin, xsmax=None, wgt=1.0): - """ Calculate eigenvalue based on analytical solution for eq Lf = (1/k)Qf - in two group for infinity dilution media in assumption of group - boundary in thermal spectra < 1.e+3 Ev - Parameters: - ---------- - xsmin : dict - macro cross-sections dictionary with minimum range temperature - xsmax : dict - macro cross-sections dictionary with maximum range temperature - by default: None not used for standalone temperature - wgt : float - weight for interpolation by default 1.0 - Returns: - ------- - keff : np.float64 - analytical eigenvalue of critical eq matrix - """ - if xsmax is None: - sa = xsmin['absorption']['macro'] - ss12 = xsmin['scatter']['macro'][0][1][0] - nsf = xsmin['nu-fission']['macro'] - else: - sa = xsmin['absorption']['macro'] * wgt + \ - xsmax['absorption']['macro'] * (1 - wgt) - ss12 = xsmin['scatter']['macro'][0][1][0] * wgt + \ - xsmax['scatter']['macro'][0][1][0] * (1 - wgt) - nsf = xsmin['nu-fission']['macro'] * wgt + \ - xsmax['nu-fission']['macro'] * (1 - wgt) - L = np.array([sa[0] + ss12, 0.0, -ss12, sa[1]]).reshape(2, 2) - Q = np.array([nsf[0], nsf[1], 0.0, 0.0]).reshape(2, 2) - arr = np.linalg.inv(L).dot(Q) - return np.amax(np.linalg.eigvals(arr)) - - -def build_inf_model(xsnames, xslibname, temperature, tempmethod='nearest'): - """ Building an infinite medium for openmc multi-group testing - Parameters: - ---------- - xsnames : list of str() - list with xs names - xslibname: - name of hdf5 file with cross-section library - temperature : float - value of a current temperature in K - tempmethod : {'nearest', 'interpolation'} - by default 'nearest' - """ - inf_medium = openmc.Material(name='test material', material_id=1) - inf_medium.set_density("sum") - for xs in xsnames: - inf_medium.add_nuclide(xs, 1) - INF = 11.1 - # Instantiate a Materials collection and export to XML - materials_file = openmc.Materials([inf_medium]) - materials_file.cross_sections = xslibname - materials_file.export_to_xml() - - # Instantiate boundary Planes - min_x = openmc.XPlane(boundary_type='reflective', x0=-INF) - max_x = openmc.XPlane(boundary_type='reflective', x0=INF) - min_y = openmc.YPlane(boundary_type='reflective', y0=-INF) - max_y = openmc.YPlane(boundary_type='reflective', y0=INF) - - # Instantiate a Cell - cell = openmc.Cell(cell_id=1, name='cell') - cell.temperature = temperature - # Register bounding Surfaces with the Cell - cell.region = +min_x & -max_x & +min_y & -max_y - - # Fill the Cell with the Material - cell.fill = inf_medium - - # Create root universe - root_universe = openmc.Universe(name='root universe', cells=[cell]) - - # Create Geometry and set root Universe - openmc_geometry = openmc.Geometry(root_universe) - - # Export to "geometry.xml" - openmc_geometry.export_to_xml() - - # OpenMC simulation parameters - batches = 200 - inactive = 5 - particles = 5000 - - # Instantiate a Settings object - settings_file = openmc.Settings() - settings_file.batches = batches - settings_file.inactive = inactive - settings_file.particles = particles - settings_file.energy_mode = 'multi-group' - settings_file.output = {'summary': False} - # Create an initial uniform spatial source distribution over fissionable zones - bounds = [-INF, -INF, -INF, INF, INF, INF] - uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True) - settings_file.temperature = {'method': tempmethod} - settings_file.source = openmc.Source(space=uniform_dist) - settings_file.export_to_xml() +import openmc +import numpy as np + +names = ['H', 'O', 'Zr', 'U235', 'U238'] + + +def build_openmc_xs_lib(name, groups, temperatures, xsdict, micro=True): + """Build an Openm XSdata based on dictionary values""" + xsdata = openmc.XSdata(name, groups, temperatures=temperatures) + xsdata.order = 0 + for tt in temperatures: + xsdata.set_absorption(xsdict[tt]['absorption'][name], temperature=tt) + xsdata.set_scatter_matrix(xsdict[tt]['scatter'][name], temperature=tt) + xsdata.set_total(xsdict[tt]['total'][name], temperature=tt) + if (name in xsdict[tt]['nu-fission'].keys()): + xsdata.set_nu_fission(xsdict[tt]['nu-fission'][name], + temperature=tt) + xsdata.set_chi(np.array([1., 0.]), temperature=tt) + return xsdata + + +def create_micro_xs_dict(): + """Returns micro xs library""" + xs_micro = {} + reactions = ['absorption', 'total', 'scatter', 'nu-fission'] + # chi is unnecessary when energy bound is in thermal region + # Temperature 300K + # absorption + xs_micro[300] = {r: {} for r in reactions} + xs_micro[300]['absorption']['H'] = np.array([1.0285E-4, 0.0057]) + xs_micro[300]['absorption']['O'] = np.array([7.1654E-5, 3.0283E-6]) + xs_micro[300]['absorption']['Zr'] = np.array([4.5918E-5, 3.6303E-5]) + xs_micro[300]['absorption']['U235'] = np.array([0.0035, 0.1040]) + xs_micro[300]['absorption']['U238'] = np.array([0.0056, 0.0094]) + # nu-scatter matrix + xs_micro[300]['scatter']['H'] = np.array([[[0.0910, 0.01469], + [0.0, 0.3316]]]) + xs_micro[300]['scatter']['O'] = np.array([[[0.0814, 3.3235E-4], + [0.0, 0.0960]]]) + xs_micro[300]['scatter']['Zr'] = np.array([[[0.0311, 2.6373E-5], + [0.0, 0.0315]]]) + xs_micro[300]['scatter']['U235'] = np.array([[[0.0311, 2.6373E-5], + [0.0, 0.0315]]]) + xs_micro[300]['scatter']['U238'] = np.array([[[0.0551, 2.2341E-5], + [0.0, 0.0526]]]) + # nu-fission + xs_micro[300]['nu-fission']['U235'] = np.array([0.0059, 0.2160]) + xs_micro[300]['nu-fission']['U238'] = np.array([0.0019, 1.4627E-7]) + # total + xs_micro[300]['total']['H'] = xs_micro[300]['absorption']['H'] + \ + np.sum(xs_micro[300]['scatter']['H'][0], 1) + xs_micro[300]['total']['O'] = xs_micro[300]['absorption']['O'] + \ + np.sum(xs_micro[300]['scatter']['O'][0], 1) + + xs_micro[300]['total']['Zr'] = xs_micro[300]['absorption']['Zr'] + \ + np.sum(xs_micro[300]['scatter']['Zr'][0], 1) + + xs_micro[300]['total']['U235'] = xs_micro[300]['absorption']['U235'] + \ + np.sum(xs_micro[300]['scatter']['U235'][0], 1) + + xs_micro[300]['total']['U238'] = xs_micro[300]['absorption']['U238'] + \ + np.sum(xs_micro[300]['scatter']['U238'][0], 1) + + # Temperature 600K + xs_micro[600] = {r: {} for r in reactions} + # absorption + xs_micro[600]['absorption']['H'] = np.array([1.0356E-4, 0.0046]) + xs_micro[600]['absorption']['O'] = np.array([7.2678E-5, 2.4963E-6]) + xs_micro[600]['absorption']['Zr'] = np.array([4.7256E-5, 2.9757E-5]) + xs_micro[600]['absorption']['U235'] = np.array([0.0035, 0.0853]) + xs_micro[600]['absorption']['U238'] = np.array([0.0058, 0.0079]) + # nu-scatter matrix + xs_micro[600]['scatter']['H'] = np.array([[[0.0910, 0.0138], + [0.0, 0.3316]]]) + xs_micro[600]['scatter']['O'] = np.array([[[0.0814, 3.5367E-4], + [0.0, 0.0959]]]) + xs_micro[600]['scatter']['Zr'] = np.array([[[0.0311, 3.2293E-5], + [0.0, 0.0314]]]) + xs_micro[600]['scatter']['U235'] = np.array([[[0.0022, 1.9763E-6], + [9.1634E-8, 0.0039]]]) + xs_micro[600]['scatter']['U238'] = np.array([[[0.0556, 2.8803E-5], + [0.0, 0.0536]]]) + # nu-fission + xs_micro[600]['nu-fission']['U235'] = np.array([0.0059, 0.1767]) + xs_micro[600]['nu-fission']['U238'] = np.array([0.0019, 1.2405E-7]) + # total + xs_micro[600]['total']['H'] = xs_micro[600]['absorption']['H'] + \ + np.sum(xs_micro[600]['scatter']['H'][0], 1) + xs_micro[600]['total']['O'] = xs_micro[600]['absorption']['O'] + \ + np.sum(xs_micro[600]['scatter']['O'][0], 1) + + xs_micro[600]['total']['Zr'] = xs_micro[600]['absorption']['Zr'] + \ + np.sum(xs_micro[600]['scatter']['Zr'][0], 1) + + xs_micro[600]['total']['U235'] = xs_micro[600]['absorption']['U235'] + \ + np.sum(xs_micro[600]['scatter']['U235'][0], 1) + + xs_micro[600]['total']['U238'] = xs_micro[600]['absorption']['U238'] + \ + np.sum(xs_micro[600]['scatter']['U238'][0], 1) + + # Temperature 900K + xs_micro[900] = {r: {} for r in reactions} + # absorption + xs_micro[900]['absorption']['H'] = np.array([1.0529E-4, 0.0040]) + xs_micro[900]['absorption']['O'] = np.array([7.3055E-5, 2.1850E-6]) + xs_micro[900]['absorption']['Zr'] = np.array([4.7141E-5, 2.5941E-5]) + xs_micro[900]['absorption']['U235'] = np.array([0.0035, 0.0749]) + xs_micro[900]['absorption']['U238'] = np.array([0.0060, 0.0071]) + # total + xs_micro[900]['total']['H'] = np.array([0.2982, 0.7332]) + xs_micro[900]['total']['O'] = np.array([0.0885, 0.1004]) + xs_micro[900]['total']['Zr'] = np.array([0.0370, 0.0317]) + xs_micro[900]['total']['U235'] = np.array([0.0061, 0.0789]) + xs_micro[900]['total']['U238'] = np.array([0.0707, 0.0613]) + # nu-scatter matrix + xs_micro[900]['scatter']['H'] = np.array([[[0.0913, 0.0147], + [0.0, 0.4020]]]) + xs_micro[900]['scatter']['O'] = np.array([[[0.0812, 4.0413E-4], + [0.0, 0.0965]]]) + xs_micro[900]['scatter']['Zr'] = np.array([[[0.0311, 3.6735E-5], + [0.0, 0.0314]]]) + xs_micro[900]['scatter']['U235'] = np.array([[[0.0022, 2.9034E-6], + [1.3117E-8, 0.0039]]]) + xs_micro[900]['scatter']['U238'] = np.array([[[0.0560, 3.7619E-5], + [0.0, 0.0538]]]) + # nu-fission + xs_micro[900]['nu-fission']['U235'] = np.array([0.0059, 0.1545]) + xs_micro[900]['nu-fission']['U238'] = np.array([0.0019, 1.1017E-7]) + # total + xs_micro[900]['total']['H'] = xs_micro[900]['absorption']['H'] + \ + np.sum(xs_micro[900]['scatter']['H'][0], 1) + xs_micro[900]['total']['O'] = xs_micro[900]['absorption']['O'] + \ + np.sum(xs_micro[900]['scatter']['O'][0], 1) + + xs_micro[900]['total']['Zr'] = xs_micro[900]['absorption']['Zr'] + \ + np.sum(xs_micro[900]['scatter']['Zr'][0], 1) + + xs_micro[900]['total']['U235'] = xs_micro[900]['absorption']['U235'] + \ + np.sum(xs_micro[900]['scatter']['U235'][0], 1) + + xs_micro[900]['total']['U238'] = xs_micro[900]['absorption']['U238'] + \ + np.sum(xs_micro[900]['scatter']['U238'][0], 1) + + # roll axis for scatter matrix + for t in xs_micro: + for n in xs_micro[t]['scatter']: + xs_micro[t]['scatter'][n] = np.rollaxis(xs_micro[t]['scatter'][n], + 0, 3) + return xs_micro + + +def create_macro_dict(xs_micro): + """Create a dictionary with two group cross-section""" + xs_macro = {} + for t, d1 in xs_micro.items(): + xs_macro[t] = {} + for r, d2 in d1.items(): + temp = [] + xs_macro[t][r] = {} + for n, v in d2.items(): + temp.append(d2[n]) + # The name 'macro' is needed to store data at the same level + # of a xs_macro dictionary as for xs_micro and use it in + # function build_openmc_xs_lib + xs_macro[t][r]['macro'] = sum(temp) + return xs_macro + + +def create_openmc_2mg_libs(names): + """Built a micro/macro two group openmc MGXS libraries""" + # Initialized library params + group_edges = [0.0, 0.625, 20.0e6] + groups = openmc.mgxs.EnergyGroups(group_edges=group_edges) + mg_cross_sections_file_micro = openmc.MGXSLibrary(groups) + mg_cross_sections_file_macro = openmc.MGXSLibrary(groups) + # Building a micro mg library + micro_cs = create_micro_xs_dict() + for name in names: + mg_cross_sections_file_micro.add_xsdata(build_openmc_xs_lib(name, + groups, + [t for t in + micro_cs], + micro_cs)) + # Building a macro mg library + macro_xs = create_macro_dict(micro_cs) + mg_cross_sections_file_macro.add_xsdata(build_openmc_xs_lib('macro', + groups, + [t for t in + macro_xs], + macro_xs)) + # Exporting library to hdf5 files + mg_cross_sections_file_micro.export_to_hdf5('micro_2g.h5') + mg_cross_sections_file_macro.export_to_hdf5('macro_2g.h5') + # Returning the macro_xs dict is needed for analytical solution + return macro_xs + + +def analytical_solution_2g_therm(xsmin, xsmax=None, wgt=1.0): + """ Calculate eigenvalue based on analytical solution for eq Lf = (1/k)Qf + in two group for infinity dilution media in assumption of group + boundary in thermal spectra < 1.e+3 Ev + Parameters: + ---------- + xsmin : dict + macro cross-sections dictionary with minimum range temperature + xsmax : dict + macro cross-sections dictionary with maximum range temperature + by default: None not used for standalone temperature + wgt : float + weight for interpolation by default 1.0 + Returns: + ------- + keff : np.float64 + analytical eigenvalue of critical eq matrix + """ + if xsmax is None: + sa = xsmin['absorption']['macro'] + ss12 = xsmin['scatter']['macro'][0][1][0] + nsf = xsmin['nu-fission']['macro'] + else: + sa = xsmin['absorption']['macro'] * wgt + \ + xsmax['absorption']['macro'] * (1 - wgt) + ss12 = xsmin['scatter']['macro'][0][1][0] * wgt + \ + xsmax['scatter']['macro'][0][1][0] * (1 - wgt) + nsf = xsmin['nu-fission']['macro'] * wgt + \ + xsmax['nu-fission']['macro'] * (1 - wgt) + L = np.array([sa[0] + ss12, 0.0, -ss12, sa[1]]).reshape(2, 2) + Q = np.array([nsf[0], nsf[1], 0.0, 0.0]).reshape(2, 2) + arr = np.linalg.inv(L).dot(Q) + return np.amax(np.linalg.eigvals(arr)) + + +def build_inf_model(xsnames, xslibname, temperature, tempmethod='nearest'): + """ Building an infinite medium for openmc multi-group testing + Parameters: + ---------- + xsnames : list of str() + list with xs names + xslibname: + name of hdf5 file with cross-section library + temperature : float + value of a current temperature in K + tempmethod : {'nearest', 'interpolation'} + by default 'nearest' + """ + model = openmc.Model() + inf_medium = openmc.Material(name='test material', material_id=1) + inf_medium.set_density("sum") + for xs in xsnames: + inf_medium.add_nuclide(xs, 1) + INF = 11.1 + # Instantiate a Materials collection and export to XML + materials_file = openmc.Materials([inf_medium]) + materials_file.cross_sections = xslibname + model.materials = materials_file + + # Instantiate boundary Planes + min_x = openmc.XPlane(boundary_type='reflective', x0=-INF) + max_x = openmc.XPlane(boundary_type='reflective', x0=INF) + min_y = openmc.YPlane(boundary_type='reflective', y0=-INF) + max_y = openmc.YPlane(boundary_type='reflective', y0=INF) + + # Instantiate a Cell + cell = openmc.Cell(cell_id=1, name='cell') + cell.temperature = temperature + # Register bounding Surfaces with the Cell + cell.region = +min_x & -max_x & +min_y & -max_y + + # Fill the Cell with the Material + cell.fill = inf_medium + + # Create root universe + root_universe = openmc.Universe(name='root universe', cells=[cell]) + + # Create Geometry and set root Universe + model.geometry = openmc.Geometry(root_universe) + + # OpenMC simulation parameters + batches = 200 + inactive = 5 + particles = 5000 + + # Instantiate a Settings object + settings_file = openmc.Settings() + settings_file.batches = batches + settings_file.inactive = inactive + settings_file.particles = particles + settings_file.energy_mode = 'multi-group' + settings_file.output = {'summary': False} + # Create an initial uniform spatial source distribution over fissionable zones + bounds = [-INF, -INF, -INF, INF, INF, INF] + uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True) + settings_file.temperature = {'method': tempmethod} + settings_file.source = openmc.Source(space=uniform_dist) + model.settings = settings_file + model.export_to_model_xml() diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat index bc5c4b2d4..533160577 100644 --- a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat +++ b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat @@ -1,251 +1,250 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 10 - 5 - - - -0.63 -0.63 -1 0.63 0.63 1 - - - - - - - 1 - - - 0.0 0.625 20000000.0 - - - 0.0 0.625 20000000.0 - - - 3 - - - 2 - - - 3 - - - 1 2 - total - flux - tracklength - - - 1 2 - total - total - tracklength - - - 1 2 - total - flux - tracklength - - - 1 2 - total - absorption - tracklength - - - 1 2 - total - flux - analog - - - 1 2 7 - total - nu-fission - analog - - - 1 2 - total - flux - analog - - - 1 2 7 11 - total - nu-scatter - analog - - - 1 2 7 - total - nu-scatter - analog - - - 1 2 7 - total - scatter - analog - - - 15 2 - total - flux - tracklength - - - 15 2 - total - total - tracklength - - - 15 2 - total - flux - tracklength - - - 15 2 - total - absorption - tracklength - - - 15 2 - total - flux - analog - - - 15 2 7 - total - nu-fission - analog - - - 15 2 - total - flux - analog - - - 15 2 7 11 - total - nu-scatter - analog - - - 15 2 7 - total - nu-scatter - analog - - - 15 2 7 - total - scatter - analog - - - 29 2 - total - flux - tracklength - - - 29 2 - total - total - tracklength - - - 29 2 - total - flux - tracklength - - - 29 2 - total - absorption - tracklength - - - 29 2 - total - flux - analog - - - 29 2 7 - total - nu-fission - analog - - - 29 2 - total - flux - analog - - - 29 2 7 11 - total - nu-scatter - analog - - - 29 2 7 - total - nu-scatter - analog - - - 29 2 7 - total - scatter - analog - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 100 + 10 + 5 + + + -0.63 -0.63 -1 0.63 0.63 1 + + + + + + 1 + + + 0.0 0.625 20000000.0 + + + 0.0 0.625 20000000.0 + + + 3 + + + 2 + + + 3 + + + 1 2 + total + flux + tracklength + + + 1 2 + total + total + tracklength + + + 1 2 + total + flux + tracklength + + + 1 2 + total + absorption + tracklength + + + 1 2 + total + flux + analog + + + 1 2 7 + total + nu-fission + analog + + + 1 2 + total + flux + analog + + + 1 2 7 11 + total + nu-scatter + analog + + + 1 2 7 + total + nu-scatter + analog + + + 1 2 7 + total + scatter + analog + + + 15 2 + total + flux + tracklength + + + 15 2 + total + total + tracklength + + + 15 2 + total + flux + tracklength + + + 15 2 + total + absorption + tracklength + + + 15 2 + total + flux + analog + + + 15 2 7 + total + nu-fission + analog + + + 15 2 + total + flux + analog + + + 15 2 7 11 + total + nu-scatter + analog + + + 15 2 7 + total + nu-scatter + analog + + + 15 2 7 + total + scatter + analog + + + 29 2 + total + flux + tracklength + + + 29 2 + total + total + tracklength + + + 29 2 + total + flux + tracklength + + + 29 2 + total + absorption + tracklength + + + 29 2 + total + flux + analog + + + 29 2 7 + total + nu-fission + analog + + + 29 2 + total + flux + analog + + + 29 2 7 11 + total + nu-scatter + analog + + + 29 2 7 + total + nu-scatter + analog + + + 29 2 7 + total + scatter + analog + + + diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/test.py b/tests/regression_tests/mgxs_library_ce_to_mg/test.py index 72f052e68..4dff67323 100644 --- a/tests/regression_tests/mgxs_library_ce_to_mg/test.py +++ b/tests/regression_tests/mgxs_library_ce_to_mg/test.py @@ -48,15 +48,12 @@ class MGXSTestHarness(PyAPITestHarness): # Modify materials and settings so we can run in MG mode self._model.materials.cross_sections = './mgxs.h5' self._model.settings.energy_mode = 'multi-group' + # Dont need tallies so clear them from the model + self._model.tallies = openmc.Tallies() # Write modified input files - self._model.settings.export_to_xml() - self._model.geometry.export_to_xml() - self._model.materials.export_to_xml() + self._model.export_to_model_xml() self._model.mgxs_file.export_to_hdf5() - # Dont need tallies.xml, so remove the file - if os.path.exists('tallies.xml'): - os.remove('tallies.xml') # Enforce closing statepoint and summary files so HDF5 # does not throw an error during the next OpenMC execution diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat index 576f27966..fe154a018 100644 --- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat +++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat @@ -1,251 +1,250 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 10 - 5 - - - -0.63 -0.63 -1 0.63 0.63 1 - - - - - - - 1 - - - 0.0 0.625 20000000.0 - - - 0.0 0.625 20000000.0 - - - 3 - - - 2 - - - 3 - - - 1 2 - total - flux - tracklength - - - 1 2 - U234 U235 U238 O16 - total - tracklength - - - 1 2 - total - flux - tracklength - - - 1 2 - U234 U235 U238 O16 - absorption - tracklength - - - 1 2 - total - flux - analog - - - 1 2 7 - U234 U235 U238 O16 - nu-fission - analog - - - 1 2 - total - flux - analog - - - 1 2 7 11 - U234 U235 U238 O16 - nu-scatter - analog - - - 1 2 7 - U234 U235 U238 O16 - nu-scatter - analog - - - 1 2 7 - U234 U235 U238 O16 - scatter - analog - - - 15 2 - total - flux - tracklength - - - 15 2 - Zr90 Zr91 Zr92 Zr94 Zr96 - total - tracklength - - - 15 2 - total - flux - tracklength - - - 15 2 - Zr90 Zr91 Zr92 Zr94 Zr96 - absorption - tracklength - - - 15 2 - total - flux - analog - - - 15 2 7 - Zr90 Zr91 Zr92 Zr94 Zr96 - nu-fission - analog - - - 15 2 - total - flux - analog - - - 15 2 7 11 - Zr90 Zr91 Zr92 Zr94 Zr96 - nu-scatter - analog - - - 15 2 7 - Zr90 Zr91 Zr92 Zr94 Zr96 - nu-scatter - analog - - - 15 2 7 - Zr90 Zr91 Zr92 Zr94 Zr96 - scatter - analog - - - 29 2 - total - flux - tracklength - - - 29 2 - H1 O16 B10 B11 - total - tracklength - - - 29 2 - total - flux - tracklength - - - 29 2 - H1 O16 B10 B11 - absorption - tracklength - - - 29 2 - total - flux - analog - - - 29 2 7 - H1 O16 B10 B11 - nu-fission - analog - - - 29 2 - total - flux - analog - - - 29 2 7 11 - H1 O16 B10 B11 - nu-scatter - analog - - - 29 2 7 - H1 O16 B10 B11 - nu-scatter - analog - - - 29 2 7 - H1 O16 B10 B11 - scatter - analog - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 100 + 10 + 5 + + + -0.63 -0.63 -1 0.63 0.63 1 + + + + + + 1 + + + 0.0 0.625 20000000.0 + + + 0.0 0.625 20000000.0 + + + 3 + + + 2 + + + 3 + + + 1 2 + total + flux + tracklength + + + 1 2 + U234 U235 U238 O16 + total + tracklength + + + 1 2 + total + flux + tracklength + + + 1 2 + U234 U235 U238 O16 + absorption + tracklength + + + 1 2 + total + flux + analog + + + 1 2 7 + U234 U235 U238 O16 + nu-fission + analog + + + 1 2 + total + flux + analog + + + 1 2 7 11 + U234 U235 U238 O16 + nu-scatter + analog + + + 1 2 7 + U234 U235 U238 O16 + nu-scatter + analog + + + 1 2 7 + U234 U235 U238 O16 + scatter + analog + + + 15 2 + total + flux + tracklength + + + 15 2 + Zr90 Zr91 Zr92 Zr94 Zr96 + total + tracklength + + + 15 2 + total + flux + tracklength + + + 15 2 + Zr90 Zr91 Zr92 Zr94 Zr96 + absorption + tracklength + + + 15 2 + total + flux + analog + + + 15 2 7 + Zr90 Zr91 Zr92 Zr94 Zr96 + nu-fission + analog + + + 15 2 + total + flux + analog + + + 15 2 7 11 + Zr90 Zr91 Zr92 Zr94 Zr96 + nu-scatter + analog + + + 15 2 7 + Zr90 Zr91 Zr92 Zr94 Zr96 + nu-scatter + analog + + + 15 2 7 + Zr90 Zr91 Zr92 Zr94 Zr96 + scatter + analog + + + 29 2 + total + flux + tracklength + + + 29 2 + H1 O16 B10 B11 + total + tracklength + + + 29 2 + total + flux + tracklength + + + 29 2 + H1 O16 B10 B11 + absorption + tracklength + + + 29 2 + total + flux + analog + + + 29 2 7 + H1 O16 B10 B11 + nu-fission + analog + + + 29 2 + total + flux + analog + + + 29 2 7 11 + H1 O16 B10 B11 + nu-scatter + analog + + + 29 2 7 + H1 O16 B10 B11 + nu-scatter + analog + + + 29 2 7 + H1 O16 B10 B11 + scatter + analog + + + diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py index b624140d4..ee0cdf0d9 100644 --- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py +++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py @@ -48,15 +48,12 @@ class MGXSTestHarness(PyAPITestHarness): # Modify materials and settings so we can run in MG mode self._model.materials.cross_sections = './mgxs.h5' self._model.settings.energy_mode = 'multi-group' + # Dont need tallies so clear them from the model + self._model.tallies = openmc.Tallies() # Write modified input files - self._model.settings.export_to_xml() - self._model.geometry.export_to_xml() - self._model.materials.export_to_xml() + self._model.export_to_model_xml() self._model.mgxs_file.export_to_hdf5() - # Dont need tallies.xml, so remove the file - if os.path.exists('tallies.xml'): - os.remove('tallies.xml') # Enforce closing statepoint and summary files so HDF5 # does not throw an error during the next OpenMC execution diff --git a/tests/regression_tests/mgxs_library_condense/inputs_true.dat b/tests/regression_tests/mgxs_library_condense/inputs_true.dat index cac18ffcd..c8f140f80 100644 --- a/tests/regression_tests/mgxs_library_condense/inputs_true.dat +++ b/tests/regression_tests/mgxs_library_condense/inputs_true.dat @@ -1,532 +1,531 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 10 - 5 - - - -0.63 -0.63 -1 0.63 0.63 1 - - - - - - - 2 2 - -100.0 -100.0 - 100.0 100.0 - - - 1 - - - 0.0 0.625 20000000.0 - - - 0.0 0.625 20000000.0 - - - 1 - - - 3 - - - 0.0 20000000.0 - - - 1 - - - 1 2 3 4 5 6 - - - 1 2 - total - flux - tracklength - - - 1 2 - total - total - tracklength - - - 1 2 - total - flux - tracklength - - - 1 2 - total - total - tracklength - - - 1 2 - total - flux - analog - - - 1 5 6 - total - scatter - analog - - - 1 2 - total - flux - tracklength - - - 1 2 - total - total - tracklength - - - 1 2 - total - flux - analog - - - 1 5 6 - total - nu-scatter - analog - - - 1 2 - total - flux - tracklength - - - 1 2 - total - absorption - tracklength - - - 1 2 - total - flux - tracklength - - - 1 2 - total - absorption - tracklength - - - 1 2 - total - (n,2n) - tracklength - - - 1 2 - total - (n,3n) - tracklength - - - 1 2 - total - (n,4n) - tracklength - - - 1 2 - total - flux - tracklength - - - 1 2 - total - absorption - tracklength - - - 1 2 - total - fission - tracklength - - - 1 2 - total - flux - tracklength - - - 1 2 - total - fission - tracklength - - - 1 2 - total - flux - tracklength - - - 1 2 - total - nu-fission - tracklength - - - 1 2 - total - flux - tracklength - - - 1 2 - total - kappa-fission - tracklength - - - 1 2 - total - flux - tracklength - - - 1 2 - total - scatter - tracklength - - - 1 2 - total - flux - analog - - - 1 2 - total - nu-scatter - analog - - - 1 2 - total - flux - analog - - - 1 2 5 30 - total - scatter - analog - - - 1 2 - total - flux - analog - - - 1 2 5 30 - total - nu-scatter - analog - - - 1 2 5 - total - nu-scatter - analog - - - 1 2 5 - total - scatter - analog - - - 1 2 - total - flux - analog - - - 1 2 5 - total - nu-fission - analog - - - 1 2 5 - total - scatter - analog - - - 1 2 - total - flux - tracklength - - - 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a/tests/regression_tests/mgxs_library_correction/inputs_true.dat b/tests/regression_tests/mgxs_library_correction/inputs_true.dat index 8c1cd4d16..a1cc111de 100644 --- a/tests/regression_tests/mgxs_library_correction/inputs_true.dat +++ b/tests/regression_tests/mgxs_library_correction/inputs_true.dat @@ -1,344 +1,343 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 10 - 5 - - - -0.63 -0.63 -1 0.63 0.63 1 - - - - - - - 1 - - - 0.0 0.625 20000000.0 - - - 0.0 0.625 20000000.0 - - - 1 - - - 0 - - - 2 - - - 3 - - - 1 2 - total - flux - analog - - - 1 2 3 4 - total - scatter - analog - - - 1 2 - total - flux - analog - - - 1 2 3 4 - total - nu-scatter - analog - - - 1 2 - total - flux - tracklength - - - 1 2 - total - scatter - tracklength - - - 1 2 3 12 - total - scatter - analog - - - 1 3 4 - total - scatter - analog - - - 1 2 - total - flux - analog - - - 1 2 - total - flux - tracklength - - - 1 2 - total - scatter - tracklength - - - 1 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a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat index d1bd197a7..0ea55bb04 100644 --- a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat +++ b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat @@ -1,269 +1,268 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 10 - 5 - - - -0.63 -0.63 -1 0.63 0.63 1 - - - - - - - 1 - - - 0.0 0.625 20000000.0 - - - 0.0 0.625 20000000.0 - - - -1.0 -0.8181818181818181 -0.6363636363636364 -0.4545454545454546 -0.2727272727272727 -0.09090909090909083 0.09090909090909083 0.2727272727272727 0.4545454545454546 0.6363636363636365 0.8181818181818183 1.0 - - - 2 - - - 3 - - - 1 2 - total - flux - analog - - - 1 2 3 4 - total - scatter - analog - - - 1 2 - total - flux - analog - - - 1 2 3 4 - total - nu-scatter - analog - - - 1 2 - total - flux - tracklength - - - 1 2 - total - scatter - tracklength - - - 1 2 3 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b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat index ac2ff0c81..b18e9773b 100644 --- a/tests/regression_tests/mgxs_library_mesh/inputs_true.dat +++ b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat @@ -1,512 +1,511 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 0 - - - - - 2 2 - -100.0 -100.0 - 100.0 100.0 - - - 1 - - - 0.0 20000000.0 - - - 0.0 20000000.0 - - - 1 - - - 3 - - - 1 - - - 1 2 3 4 5 6 - - - 1 2 - total - flux - tracklength - - - 1 2 - total - total - tracklength - - - 1 2 - total - flux - tracklength - - - 1 2 - total - total - tracklength - - - 1 2 - total - flux - analog - - - 1 5 6 - total - scatter - analog - - - 1 2 - total - flux - tracklength - - - 1 2 - total - total - tracklength - - - 1 2 - total - flux - analog - - - 1 5 6 - total - nu-scatter - analog - - - 1 2 - total - flux - tracklength - - - 1 2 - total - absorption - tracklength - - - 1 2 - total - flux - tracklength - - - 1 2 - total - absorption - 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383 2 + total + flux + tracklength + + + 1 2 + U235 total + total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0) + tracklength + + + 383 2 + total + flux + analog + + + 1 5 6 + U235 total + scatter nu-scatter + analog + + + 1 2 + U235 total + nu-scatter + analog + + + 1 2 5 30 + U235 total + scatter nu-scatter + analog + + + 1 2 5 + U235 total + nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n) + analog + + + 1 54 + U235 total + nu-fission prompt-nu-fission + analog + + + 1 5 + U235 total + nu-fission prompt-nu-fission + analog + + + 106 2 + Zr90 total + total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0) + tracklength + + + 106 5 6 + Zr90 total + scatter nu-scatter + analog + + + 106 2 + Zr90 total + nu-scatter + analog + + + 106 2 5 30 + Zr90 total + scatter nu-scatter + analog + + + 106 2 5 + Zr90 total + nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n) + analog + + + 106 54 + Zr90 total + nu-fission prompt-nu-fission + analog + + + 106 5 + Zr90 total + nu-fission prompt-nu-fission + analog + + + 251 2 + H1 total + total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0) + tracklength + + + 251 5 6 + H1 total + scatter nu-scatter + analog + + + 251 2 + H1 total + nu-scatter + analog + + + 251 2 5 30 + H1 total + scatter nu-scatter + analog + + + 251 2 5 + H1 total + nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n) + analog + + + 251 54 + H1 total + nu-fission prompt-nu-fission + analog + + + 251 5 + H1 total + nu-fission prompt-nu-fission + analog + + + diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat new file mode 100644 index 000000000..05ee40902 --- /dev/null +++ b/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat @@ -0,0 +1 @@ +3e86542d1166b8a0bcc61742b88c9e931d63733477f3274b32b4da64d8f05413fa6330d5615f44f24735c2c2f77d3071f3dce38faba284c321ceab81c1064480 \ No newline at end of file diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/test.py b/tests/regression_tests/mgxs_library_specific_nuclides/test.py new file mode 100644 index 000000000..61910e539 --- /dev/null +++ b/tests/regression_tests/mgxs_library_specific_nuclides/test.py @@ -0,0 +1,71 @@ +import hashlib + +import openmc +import openmc.mgxs +from openmc.examples import pwr_pin_cell + +from tests.testing_harness import PyAPITestHarness + + +class MGXSTestHarness(PyAPITestHarness): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) + + # Initialize a two-group structure + energy_groups = openmc.mgxs.EnergyGroups(group_edges=[0, 0.625, 20.e6]) + + # Initialize MGXS Library for a few cross section types + self.mgxs_lib = openmc.mgxs.Library(self._model.geometry) + self.mgxs_lib.by_nuclide = True + + # Test relevant MGXS types + relevant_MGXS_TYPES = [item for item in openmc.mgxs.MGXS_TYPES + if item != 'current'] + # Add in a subset of openmc.mgxs.ARBITRARY_VECTOR_TYPES and + # openmc.mgxs.ARBITRARY_MATRIX_TYPES so we can see the code works, + # but not use too much resources + relevant_MGXS_TYPES += [ + "(n,elastic)", "(n,level)", "(n,2n)", "(n,na)", "(n,nc)", + "(n,gamma)", "(n,a)", "(n,Xa)", "heating", "damage-energy", + "(n,n1)", "(n,a0)", "(n,nc) matrix", "(n,n1) matrix", + "(n,2n) matrix"] + self.mgxs_lib.mgxs_types = tuple(relevant_MGXS_TYPES) + self.mgxs_lib.energy_groups = energy_groups + self.mgxs_lib.legendre_order = 3 + self.mgxs_lib.domain_type = 'material' + self.mgxs_lib.nuclides = ['U235', 'Zr90', 'H1'] + self.mgxs_lib.build_library() + + # Add tallies + self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=True) + + def _get_results(self, hash_output=True): + """Digest info in the statepoint and return as a string.""" + + # Read the statepoint file. + sp = openmc.StatePoint(self._sp_name) + + # Load the MGXS library from the statepoint + self.mgxs_lib.load_from_statepoint(sp) + + # Build a string from Pandas Dataframe for each MGXS + outstr = '' + for domain in self.mgxs_lib.domains: + for mgxs_type in self.mgxs_lib.mgxs_types: + mgxs = self.mgxs_lib.get_mgxs(domain, mgxs_type) + df = mgxs.get_pandas_dataframe() + outstr += df.to_string() + '\n' + + # Hash the results if necessary + if hash_output: + sha512 = hashlib.sha512() + sha512.update(outstr.encode('utf-8')) + outstr = sha512.hexdigest() + + return outstr + + +def test_mgxs_library_specific_nuclides(): + model = pwr_pin_cell() + harness = MGXSTestHarness('statepoint.10.h5', model) + harness.main() diff --git a/tests/regression_tests/multipole/inputs_true.dat b/tests/regression_tests/multipole/inputs_true.dat index 3bbcc2024..3a602b28b 100644 --- a/tests/regression_tests/multipole/inputs_true.dat +++ b/tests/regression_tests/multipole/inputs_true.dat @@ -1,55 +1,54 @@ - - - - - - - 2.0 2.0 - 1 - 2 2 - -2.0 -2.0 - + + + + + + + + + + + + + + + + + + + + 2.0 2.0 + 1 + 2 2 + -2.0 -2.0 + 11 11 11 11 - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 0 - - - -1 -1 -1 1 1 1 - - - true - 1000 - - - - - U235 O16 total - total fission (n,gamma) elastic (n,p) - - + + + + + + + + + eigenvalue + 1000 + 5 + 0 + + + -1 -1 -1 1 1 1 + + + true + 1000 + + + + U235 O16 total + total fission (n,gamma) elastic (n,p) + + + diff --git a/tests/regression_tests/ncrystal/inputs_true.dat b/tests/regression_tests/ncrystal/inputs_true.dat index 7a3f20eb3..a609edcae 100644 --- a/tests/regression_tests/ncrystal/inputs_true.dat +++ b/tests/regression_tests/ncrystal/inputs_true.dat @@ -1,45 +1,44 @@ - - - - - - - - - - - - - - - - fixed source - 100000 - 10 - - - 0 0 -20 - - - - 0.012 1.0 - - - - - - - 1 - - - 0.0 0.017453292519943295 0.03490658503988659 0.05235987755982989 0.06981317007977318 0.08726646259971647 0.10471975511965978 0.12217304763960307 0.13962634015954636 0.15707963267948966 0.17453292519943295 0.19198621771937624 0.20943951023931956 0.22689280275926285 0.24434609527920614 0.2617993877991494 0.2792526803190927 0.29670597283903605 0.3141592653589793 0.33161255787892263 0.3490658503988659 0.3665191429188092 0.3839724354387525 0.4014257279586958 0.4188790204786391 0.4363323129985824 0.4537856055185257 0.47123889803846897 0.4886921905584123 0.5061454830783556 0.5235987755982988 0.5410520681182421 0.5585053606381855 0.5759586531581288 0.5934119456780721 0.6108652381980153 0.6283185307179586 0.6457718232379019 0.6632251157578453 0.6806784082777885 0.6981317007977318 0.7155849933176751 0.7330382858376184 0.7504915783575618 0.767944870877505 0.7853981633974483 0.8028514559173916 0.8203047484373349 0.8377580409572782 0.8552113334772214 0.8726646259971648 0.8901179185171081 0.9075712110370514 0.9250245035569946 0.9424777960769379 0.9599310885968813 0.9773843811168246 0.9948376736367679 1.0122909661567112 1.0297442586766545 1.0471975511965976 1.064650843716541 1.0821041362364843 1.0995574287564276 1.117010721276371 1.1344640137963142 1.1519173063162575 1.1693705988362009 1.1868238913561442 1.2042771838760873 1.2217304763960306 1.239183768915974 1.2566370614359172 1.2740903539558606 1.2915436464758039 1.3089969389957472 1.3264502315156905 1.3439035240356338 1.361356816555577 1.3788101090755203 1.3962634015954636 1.413716694115407 1.4311699866353502 1.4486232791552935 1.4660765716752369 1.4835298641951802 1.5009831567151235 1.5184364492350666 1.53588974175501 1.5533430342749532 1.5707963267948966 1.5882496193148399 1.6057029118347832 1.6231562043547265 1.6406094968746698 1.6580627893946132 1.6755160819145565 1.6929693744344996 1.710422666954443 1.7278759594743862 1.7453292519943295 1.7627825445142729 1.7802358370342162 1.7976891295541595 1.8151424220741028 1.8325957145940461 1.8500490071139892 1.8675022996339325 1.8849555921538759 1.9024088846738192 1.9198621771937625 1.9373154697137058 1.9547687622336491 1.9722220547535925 1.9896753472735358 2.007128639793479 2.0245819323134224 2.0420352248333655 2.059488517353309 2.076941809873252 2.0943951023931953 2.111848394913139 2.129301687433082 2.1467549799530254 2.1642082724729685 2.181661564992912 2.199114857512855 2.2165681500327987 2.234021442552742 2.251474735072685 2.2689280275926285 2.2863813201125716 2.303834612632515 2.321287905152458 2.3387411976724017 2.356194490192345 2.3736477827122884 2.3911010752322315 2.4085543677521746 2.426007660272118 2.443460952792061 2.4609142453120048 2.478367537831948 2.4958208303518914 2.5132741228718345 2.530727415391778 2.548180707911721 2.5656340004316642 2.5830872929516078 2.600540585471551 2.6179938779914944 2.6354471705114375 2.652900463031381 2.670353755551324 2.6878070480712677 2.705260340591211 2.722713633111154 2.7401669256310974 2.7576202181510405 2.775073510670984 2.792526803190927 2.8099800957108707 2.827433388230814 2.8448866807507573 2.8623399732707004 2.8797932657906435 2.897246558310587 2.91469985083053 2.9321531433504737 2.949606435870417 2.9670597283903604 2.9845130209103035 3.001966313430247 3.01941960595019 3.036872898470133 3.0543261909900767 3.07177948351002 3.0892327760299634 3.1066860685499065 3.12413936106985 3.141592653589793 - - - 1 - - - 1 2 3 - current - - + + + + + + + + + + + + + + + fixed source + 100000 + 10 + + + 0 0 -20 + + + + 0.012 1.0 + + + + + + 1 + + + 0.0 0.017453292519943295 0.03490658503988659 0.05235987755982989 0.06981317007977318 0.08726646259971647 0.10471975511965978 0.12217304763960307 0.13962634015954636 0.15707963267948966 0.17453292519943295 0.19198621771937624 0.20943951023931956 0.22689280275926285 0.24434609527920614 0.2617993877991494 0.2792526803190927 0.29670597283903605 0.3141592653589793 0.33161255787892263 0.3490658503988659 0.3665191429188092 0.3839724354387525 0.4014257279586958 0.4188790204786391 0.4363323129985824 0.4537856055185257 0.47123889803846897 0.4886921905584123 0.5061454830783556 0.5235987755982988 0.5410520681182421 0.5585053606381855 0.5759586531581288 0.5934119456780721 0.6108652381980153 0.6283185307179586 0.6457718232379019 0.6632251157578453 0.6806784082777885 0.6981317007977318 0.7155849933176751 0.7330382858376184 0.7504915783575618 0.767944870877505 0.7853981633974483 0.8028514559173916 0.8203047484373349 0.8377580409572782 0.8552113334772214 0.8726646259971648 0.8901179185171081 0.9075712110370514 0.9250245035569946 0.9424777960769379 0.9599310885968813 0.9773843811168246 0.9948376736367679 1.0122909661567112 1.0297442586766545 1.0471975511965976 1.064650843716541 1.0821041362364843 1.0995574287564276 1.117010721276371 1.1344640137963142 1.1519173063162575 1.1693705988362009 1.1868238913561442 1.2042771838760873 1.2217304763960306 1.239183768915974 1.2566370614359172 1.2740903539558606 1.2915436464758039 1.3089969389957472 1.3264502315156905 1.3439035240356338 1.361356816555577 1.3788101090755203 1.3962634015954636 1.413716694115407 1.4311699866353502 1.4486232791552935 1.4660765716752369 1.4835298641951802 1.5009831567151235 1.5184364492350666 1.53588974175501 1.5533430342749532 1.5707963267948966 1.5882496193148399 1.6057029118347832 1.6231562043547265 1.6406094968746698 1.6580627893946132 1.6755160819145565 1.6929693744344996 1.710422666954443 1.7278759594743862 1.7453292519943295 1.7627825445142729 1.7802358370342162 1.7976891295541595 1.8151424220741028 1.8325957145940461 1.8500490071139892 1.8675022996339325 1.8849555921538759 1.9024088846738192 1.9198621771937625 1.9373154697137058 1.9547687622336491 1.9722220547535925 1.9896753472735358 2.007128639793479 2.0245819323134224 2.0420352248333655 2.059488517353309 2.076941809873252 2.0943951023931953 2.111848394913139 2.129301687433082 2.1467549799530254 2.1642082724729685 2.181661564992912 2.199114857512855 2.2165681500327987 2.234021442552742 2.251474735072685 2.2689280275926285 2.2863813201125716 2.303834612632515 2.321287905152458 2.3387411976724017 2.356194490192345 2.3736477827122884 2.3911010752322315 2.4085543677521746 2.426007660272118 2.443460952792061 2.4609142453120048 2.478367537831948 2.4958208303518914 2.5132741228718345 2.530727415391778 2.548180707911721 2.5656340004316642 2.5830872929516078 2.600540585471551 2.6179938779914944 2.6354471705114375 2.652900463031381 2.670353755551324 2.6878070480712677 2.705260340591211 2.722713633111154 2.7401669256310974 2.7576202181510405 2.775073510670984 2.792526803190927 2.8099800957108707 2.827433388230814 2.8448866807507573 2.8623399732707004 2.8797932657906435 2.897246558310587 2.91469985083053 2.9321531433504737 2.949606435870417 2.9670597283903604 2.9845130209103035 3.001966313430247 3.01941960595019 3.036872898470133 3.0543261909900767 3.07177948351002 3.0892327760299634 3.1066860685499065 3.12413936106985 3.141592653589793 + + + 1 + + + 1 2 3 + current + + + diff --git a/tests/regression_tests/periodic/inputs_true.dat b/tests/regression_tests/periodic/inputs_true.dat index c1f6d1563..9934e2de0 100644 --- a/tests/regression_tests/periodic/inputs_true.dat +++ b/tests/regression_tests/periodic/inputs_true.dat @@ -1,37 +1,37 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 4 - 0 - - - 0 0 0 5 5 0 - - - + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 4 + 0 + + + 0 0 0 5 5 0 + + + + diff --git a/tests/regression_tests/periodic_6fold/inputs_true.dat b/tests/regression_tests/periodic_6fold/inputs_true.dat index 35bbcc047..9c2899417 100644 --- a/tests/regression_tests/periodic_6fold/inputs_true.dat +++ b/tests/regression_tests/periodic_6fold/inputs_true.dat @@ -1,34 +1,34 @@ - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 4 - 0 - - - 0 0 0 5 5 0 - - - + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 4 + 0 + + + 0 0 0 5 5 0 + + + + diff --git a/tests/regression_tests/periodic_hex/inputs_true.dat b/tests/regression_tests/periodic_hex/inputs_true.dat index 00e539d4b..f4869fa58 100644 --- a/tests/regression_tests/periodic_hex/inputs_true.dat +++ b/tests/regression_tests/periodic_hex/inputs_true.dat @@ -1,24 +1,24 @@ - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 0 - + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 5 + 0 + + diff --git a/tests/regression_tests/photon_production/inputs_true.dat b/tests/regression_tests/photon_production/inputs_true.dat index 09f1fd290..0b2b43468 100644 --- a/tests/regression_tests/photon_production/inputs_true.dat +++ b/tests/regression_tests/photon_production/inputs_true.dat @@ -1,68 +1,67 @@ - - - - - - - - - - - - - - - - - - - fixed source - 10000 - 1 - - - 0 0 0 - - - - 14000000.0 1.0 - - - ttb - true - - 1000.0 - - - - - - 1 - - - neutron photon electron positron - - - 1 2 - current - - - 2 - Al27 total - total (n,gamma) - tracklength - - - 2 - Al27 total - total heating (n,gamma) - collision - - - 2 - Al27 total - total heating (n,gamma) - analog - - + + + + + + + + + + + + + + + + + + fixed source + 10000 + 1 + + + 0 0 0 + + + + 14000000.0 1.0 + + + ttb + true + + 1000.0 + + + + + 1 + + + neutron photon electron positron + + + 1 2 + current + + + 2 + Al27 total + total (n,gamma) + tracklength + + + 2 + Al27 total + total heating (n,gamma) + collision + + + 2 + Al27 total + total heating (n,gamma) + analog + + + diff --git a/tests/regression_tests/photon_production_fission/inputs_true.dat b/tests/regression_tests/photon_production_fission/inputs_true.dat index c317f6273..ea6e9d9ee 100644 --- a/tests/regression_tests/photon_production_fission/inputs_true.dat +++ b/tests/regression_tests/photon_production_fission/inputs_true.dat @@ -1,49 +1,48 @@ - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 2 - - - 0 0 0 - - - true - - - - - neutron photon - - - 1 - U235 total - fission heating-local - tracklength - - - 1 - U235 total - fission heating heating-local - collision - - - 1 - U235 total - fission heating heating-local - analog - - + + + + + + + + + + + + + eigenvalue + 1000 + 5 + 2 + + + 0 0 0 + + + true + + + + neutron photon + + + 1 + U235 total + fission heating-local + tracklength + + + 1 + U235 total + fission heating heating-local + collision + + + 1 + U235 total + fission heating heating-local + analog + + + diff --git a/tests/regression_tests/photon_source/inputs_true.dat b/tests/regression_tests/photon_source/inputs_true.dat index f7c9c24b4..4c61b47fc 100644 --- a/tests/regression_tests/photon_source/inputs_true.dat +++ b/tests/regression_tests/photon_source/inputs_true.dat @@ -1,45 +1,44 @@ - - - - - - - - - - - - - - - - - fixed source - 10000 - 1 - - - 0 0 0 - - - - 10000000.0 1.0 - - - ttb - true - - 1000.0 - - - - - - photon - - - 1 - flux (n,gamma) - - + + + + + + + + + + + + + + + + fixed source + 10000 + 1 + + + 0 0 0 + + + + 10000000.0 1.0 + + + ttb + true + + 1000.0 + + + + + photon + + + 1 + flux (n,gamma) + + + diff --git a/tests/regression_tests/photon_source/test.py b/tests/regression_tests/photon_source/test.py index a2bfb9038..d4b4a69fd 100644 --- a/tests/regression_tests/photon_source/test.py +++ b/tests/regression_tests/photon_source/test.py @@ -7,20 +7,19 @@ from tests.testing_harness import PyAPITestHarness class SourceTestHarness(PyAPITestHarness): - def _build_inputs(self): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) mat = openmc.Material() mat.set_density('g/cm3', 0.998207) mat.add_element('H', 0.111894) mat.add_element('O', 0.888106) - materials = openmc.Materials([mat]) - materials.export_to_xml() + self._model.materials = openmc.Materials([mat]) sphere = openmc.Sphere(r=1.0e9, boundary_type='reflective') inside_sphere = openmc.Cell() inside_sphere.region = -sphere inside_sphere.fill = mat - geometry = openmc.Geometry([inside_sphere]) - geometry.export_to_xml() + self._model.geometry = openmc.Geometry([inside_sphere]) source = openmc.Source() source.space = openmc.stats.Point((0, 0, 0)) @@ -36,16 +35,16 @@ class SourceTestHarness(PyAPITestHarness): settings.cutoff = {'energy_photon' : 1000.0} settings.run_mode = 'fixed source' settings.source = source - settings.export_to_xml() + self._model.settings = settings particle_filter = openmc.ParticleFilter('photon') tally = openmc.Tally() tally.filters = [particle_filter] tally.scores = ['flux', '(n,gamma)'] tallies = openmc.Tallies([tally]) - tallies.export_to_xml() + self._model.tallies = tallies def test_photon_source(): - harness = SourceTestHarness('statepoint.1.h5') + harness = SourceTestHarness('statepoint.1.h5', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/plot/geometry.xml b/tests/regression_tests/plot/geometry.xml deleted file mode 100644 index 83619d9f7..000000000 --- a/tests/regression_tests/plot/geometry.xml +++ /dev/null @@ -1,13 +0,0 @@ - - - - - - - - - - - - - diff --git a/tests/regression_tests/plot/materials.xml b/tests/regression_tests/plot/materials.xml deleted file mode 100644 index 90b354267..000000000 --- a/tests/regression_tests/plot/materials.xml +++ /dev/null @@ -1,19 +0,0 @@ - - - - - - - - - - - - - - - - - - - diff --git a/tests/regression_tests/plot/model.xml b/tests/regression_tests/plot/model.xml new file mode 100644 index 000000000..a63ff95da --- /dev/null +++ b/tests/regression_tests/plot/model.xml @@ -0,0 +1,76 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + plot + 1 + + 5 4 3 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + + + -10.0 10.0 + -10.0 10.0 + -10.0 0.0 5.0 7.5 8.75 10.0 + + + 2 + + + 1 + total + + + + + 0.0 0.0 0.0 + 25.0 25.0 + 200 200 + + + + + 0.0 0.0 0.0 + 25.0 25.0 + 200 200 + + + + + 0.0 0.0 0.0 + 25.0 25.0 + 200 200 + 0 0 0 + + + 0.0 0.0 0.0 + 20.0 20.0 10.0 + 100 100 10 + + + diff --git a/tests/regression_tests/plot/plots.xml b/tests/regression_tests/plot/plots.xml deleted file mode 100644 index ce63da144..000000000 --- a/tests/regression_tests/plot/plots.xml +++ /dev/null @@ -1,33 +0,0 @@ - - - - - 0. 0. 0. - 25 25 - 200 200 - - - - - - 0. 0. 0. - 25 25 - 200 200 - - - - - - 0. 0. 0. - 25 25 - 200 200 - 0 0 0 - - - - 100 100 10 - 0. 0. 0. - 20 20 10 - - - diff --git a/tests/regression_tests/plot/settings.xml b/tests/regression_tests/plot/settings.xml deleted file mode 100644 index adf256d2d..000000000 --- a/tests/regression_tests/plot/settings.xml +++ /dev/null @@ -1,13 +0,0 @@ - - - - plot - - - 5 4 3 - -10 -10 -10 - 10 10 10 - - 1 - - diff --git a/tests/regression_tests/plot/tallies.xml b/tests/regression_tests/plot/tallies.xml deleted file mode 100644 index b7e678ca0..000000000 --- a/tests/regression_tests/plot/tallies.xml +++ /dev/null @@ -1,20 +0,0 @@ - - - - - -10 10 - -10 10 - -10 0 5 7.5 8.75 10 - - - - mesh - 2 - - - - 1 - total - - - diff --git a/tests/regression_tests/plot_overlaps/geometry.xml b/tests/regression_tests/plot_overlaps/geometry.xml deleted file mode 100644 index 7a9f1fb41..000000000 --- a/tests/regression_tests/plot_overlaps/geometry.xml +++ /dev/null @@ -1,14 +0,0 @@ - - - - - - - - - - - - - - diff --git a/tests/regression_tests/plot_overlaps/materials.xml b/tests/regression_tests/plot_overlaps/materials.xml deleted file mode 100644 index 90b354267..000000000 --- a/tests/regression_tests/plot_overlaps/materials.xml +++ /dev/null @@ -1,19 +0,0 @@ - - - - - - - - - - - - - - - - - - - diff --git a/tests/regression_tests/plot_overlaps/model.xml b/tests/regression_tests/plot_overlaps/model.xml new file mode 100644 index 000000000..e3b65d45d --- /dev/null +++ b/tests/regression_tests/plot_overlaps/model.xml @@ -0,0 +1,65 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + plot + 1 + + 5 4 3 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + + + 0.0 0.0 0.0 + 25.0 25.0 + 200 200 + + true + + + + 0.0 0.0 0.0 + 25.0 25.0 + 200 200 + + true + 255 211 0 + + + 0.0 0.0 0.0 + 25.0 25.0 + 200 200 + 0 0 0 + + + 0.0 0.0 0.0 + 20.0 20.0 10.0 + 100 100 10 + + + diff --git a/tests/regression_tests/plot_overlaps/plots.xml b/tests/regression_tests/plot_overlaps/plots.xml deleted file mode 100644 index 28064f58f..000000000 --- a/tests/regression_tests/plot_overlaps/plots.xml +++ /dev/null @@ -1,35 +0,0 @@ - - - - - 0. 0. 0. - 25 25 - 200 200 - - - true - - - - 0. 0. 0. - 25 25 - 200 200 - - true - 255 211 0 - - - - 0. 0. 0. - 25 25 - 200 200 - 0 0 0 - - - - 100 100 10 - 0. 0. 0. - 20 20 10 - - - diff --git a/tests/regression_tests/plot_overlaps/settings.xml b/tests/regression_tests/plot_overlaps/settings.xml deleted file mode 100644 index adf256d2d..000000000 --- a/tests/regression_tests/plot_overlaps/settings.xml +++ /dev/null @@ -1,13 +0,0 @@ - - - - plot - - - 5 4 3 - -10 -10 -10 - 10 10 10 - - 1 - - diff --git a/tests/regression_tests/plot_voxel/geometry.xml b/tests/regression_tests/plot_voxel/geometry.xml deleted file mode 100644 index 83619d9f7..000000000 --- a/tests/regression_tests/plot_voxel/geometry.xml +++ /dev/null @@ -1,13 +0,0 @@ - - - - - - - - - - - - - diff --git a/tests/regression_tests/plot_voxel/materials.xml b/tests/regression_tests/plot_voxel/materials.xml deleted file mode 100644 index 90b354267..000000000 --- a/tests/regression_tests/plot_voxel/materials.xml +++ /dev/null @@ -1,19 +0,0 @@ - - - - - - - - - - - - - - - - - - - diff --git a/tests/regression_tests/plot_voxel/model.xml b/tests/regression_tests/plot_voxel/model.xml new file mode 100644 index 000000000..7b0e854c5 --- /dev/null +++ b/tests/regression_tests/plot_voxel/model.xml @@ -0,0 +1,42 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + plot + 1 + + 5 4 3 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + + + 0.0 0.0 0.0 + 20.0 20.0 10.0 + 50 50 10 + + + diff --git a/tests/regression_tests/plot_voxel/plots.xml b/tests/regression_tests/plot_voxel/plots.xml deleted file mode 100644 index 833329b42..000000000 --- a/tests/regression_tests/plot_voxel/plots.xml +++ /dev/null @@ -1,10 +0,0 @@ - - - - - 50 50 10 - 0. 0. 0. - 20 20 10 - - - diff --git a/tests/regression_tests/plot_voxel/settings.xml b/tests/regression_tests/plot_voxel/settings.xml deleted file mode 100644 index adf256d2d..000000000 --- a/tests/regression_tests/plot_voxel/settings.xml +++ /dev/null @@ -1,13 +0,0 @@ - - - - plot - - - 5 4 3 - -10 -10 -10 - 10 10 10 - - 1 - - diff --git a/tests/regression_tests/resonance_scattering/inputs_true.dat b/tests/regression_tests/resonance_scattering/inputs_true.dat index 57a5e1a4b..7165fa72b 100644 --- a/tests/regression_tests/resonance_scattering/inputs_true.dat +++ b/tests/regression_tests/resonance_scattering/inputs_true.dat @@ -1,34 +1,34 @@ - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 10 - 5 - - - -4 -4 -4 4 4 4 - - - - true - rvs - 1.0 - 210.0 - U238 U235 Pu239 - - + + + + + + + + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + + -4 -4 -4 4 4 4 + + + + true + rvs + 1.0 + 210.0 + U238 U235 Pu239 + + + diff --git a/tests/regression_tests/resonance_scattering/test.py b/tests/regression_tests/resonance_scattering/test.py index e77dd9258..d9f76fac5 100644 --- a/tests/regression_tests/resonance_scattering/test.py +++ b/tests/regression_tests/resonance_scattering/test.py @@ -4,7 +4,8 @@ from tests.testing_harness import PyAPITestHarness class ResonanceScatteringTestHarness(PyAPITestHarness): - def _build_inputs(self): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) # Materials mat = openmc.Material(material_id=1) mat.set_density('g/cc', 1.0) @@ -13,15 +14,13 @@ class ResonanceScatteringTestHarness(PyAPITestHarness): mat.add_nuclide('Pu239', 0.02) mat.add_nuclide('H1', 20.0) - mats_file = openmc.Materials([mat]) - mats_file.export_to_xml() + self._model.materials = openmc.Materials([mat]) # Geometry dumb_surface = openmc.XPlane(100, boundary_type='reflective') c1 = openmc.Cell(cell_id=1, fill=mat, region=-dumb_surface) root_univ = openmc.Universe(universe_id=0, cells=[c1]) - geometry = openmc.Geometry(root_univ) - geometry.export_to_xml() + self._model.geometry = openmc.Geometry(root_univ) # Resonance elastic scattering settings res_scat_settings = { @@ -39,9 +38,10 @@ class ResonanceScatteringTestHarness(PyAPITestHarness): settings.source = openmc.source.Source( space=openmc.stats.Box([-4, -4, -4], [4, 4, 4])) settings.resonance_scattering = res_scat_settings - settings.export_to_xml() + self._model.settings = settings def test_resonance_scattering(): - harness = ResonanceScatteringTestHarness('statepoint.10.h5') + harness = ResonanceScatteringTestHarness('statepoint.10.h5', + model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/salphabeta/inputs_true.dat b/tests/regression_tests/salphabeta/inputs_true.dat index 29d8065cf..31a81b2c8 100644 --- a/tests/regression_tests/salphabeta/inputs_true.dat +++ b/tests/regression_tests/salphabeta/inputs_true.dat @@ -1,60 +1,60 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 400 - 5 - 0 - - - -4 -4 -4 4 4 4 - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 400 + 5 + 0 + + + -4 -4 -4 4 4 4 + + + + diff --git a/tests/regression_tests/score_current/inputs_true.dat b/tests/regression_tests/score_current/inputs_true.dat index 2b81f508f..f9c9ba494 100644 --- a/tests/regression_tests/score_current/inputs_true.dat +++ b/tests/regression_tests/score_current/inputs_true.dat @@ -1,55 +1,54 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 0 - - - - - 3 3 3 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - 1 - - - 0.0 0.253 20000000.0 - - - 1 - current - - - 1 2 - current - - + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 5 + 0 + + + + 3 3 3 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + 1 + + + 0.0 0.253 20000000.0 + + + 1 + current + + + 1 2 + current + + + diff --git a/tests/regression_tests/source/inputs_true.dat b/tests/regression_tests/source/inputs_true.dat index c9c9c4277..adf60c814 100644 --- a/tests/regression_tests/source/inputs_true.dat +++ b/tests/regression_tests/source/inputs_true.dat @@ -1,150 +1,150 @@ - - - - - - - - - - - - - - eigenvalue - 1000 - 10 - 5 - - - - - -4.0 -1.0 3.0 0.2 0.3 0.5 - - - -2.0 0.0 2.0 0.2 0.3 0.2 - - - - - -1.0 0.0 1.0 0.5 0.25 0.25 - - - - - - - - -4.0 -4.0 -4.0 4.0 4.0 4.0 - - - - - - - 1.2 -2.3 0.781 - - - - 1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23 - - - - - - - 0.7071067811865476 0.0 -0.7071067811865475 0.3 0.4 0.3 - - - - - - 1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23 - - - - - - - - -2.0 0.0 2.0 0.2 0.3 0.2 - - - - - 1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 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51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 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51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 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26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23 + + + + + diff --git a/tests/regression_tests/source/test.py b/tests/regression_tests/source/test.py index a1175c48f..af9e67baa 100644 --- a/tests/regression_tests/source/test.py +++ b/tests/regression_tests/source/test.py @@ -7,12 +7,12 @@ from tests.testing_harness import PyAPITestHarness class SourceTestHarness(PyAPITestHarness): - def _build_inputs(self): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) mat1 = openmc.Material(material_id=1, temperature=294) mat1.set_density('g/cm3', 4.5) mat1.add_nuclide(openmc.Nuclide('U235'), 1.0) - materials = openmc.Materials([mat1]) - materials.export_to_xml() + self._model.materials = openmc.Materials([mat1]) sphere = openmc.Sphere(surface_id=1, r=10.0, boundary_type='vacuum') inside_sphere = openmc.Cell(cell_id=1) @@ -21,9 +21,7 @@ class SourceTestHarness(PyAPITestHarness): root = openmc.Universe(universe_id=0) root.add_cell(inside_sphere) - geometry = openmc.Geometry() - geometry.root_universe = root - geometry.export_to_xml() + self._model.geometry = openmc.Geometry(root) # Create an array of different sources x_dist = openmc.stats.Uniform(-3., 3.) @@ -84,9 +82,9 @@ class SourceTestHarness(PyAPITestHarness): settings.inactive = 5 settings.particles = 1000 settings.source = [source1, source2, source3, source4, source5, source6, source7, source8] - settings.export_to_xml() + self._model.settings = settings def test_source(): - harness = SourceTestHarness('statepoint.10.h5') + harness = SourceTestHarness('statepoint.10.h5', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/source_dlopen/inputs_true.dat b/tests/regression_tests/source_dlopen/inputs_true.dat index 23878ac20..1a447ae3d 100644 --- a/tests/regression_tests/source_dlopen/inputs_true.dat +++ b/tests/regression_tests/source_dlopen/inputs_true.dat @@ -1,23 +1,23 @@ - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - 0 - - + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + 0 + + + diff --git a/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat b/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat index f4a0eba73..208030e2e 100644 --- a/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat +++ b/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat @@ -1,23 +1,23 @@ - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - 0 - - + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + 0 + + + diff --git a/tests/regression_tests/surface_source/inputs_true_read.dat b/tests/regression_tests/surface_source/inputs_true_read.dat index 3a122c737..fb843a6d1 100644 --- a/tests/regression_tests/surface_source/inputs_true_read.dat +++ b/tests/regression_tests/surface_source/inputs_true_read.dat @@ -1,34 +1,33 @@ - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - surface_source_true.h5 - - 1 - - - - - 3 - - - 1 - flux - - + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + surface_source_true.h5 + + 1 + + + + 3 + + + 1 + flux + + + diff --git a/tests/regression_tests/surface_source/inputs_true_write.dat b/tests/regression_tests/surface_source/inputs_true_write.dat index 48dde9900..dbdf22395 100644 --- a/tests/regression_tests/surface_source/inputs_true_write.dat +++ b/tests/regression_tests/surface_source/inputs_true_write.dat @@ -1,40 +1,39 @@ - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - 0 0 0 - - - - 1 - 1000 - - 1 - - - - - 3 - - - 1 - flux - - + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + 0 0 0 + + + + 1 + 1000 + + 1 + + + + 3 + + + 1 + flux + + + diff --git a/tests/regression_tests/surface_source/surface_source_true.h5 b/tests/regression_tests/surface_source/surface_source_true.h5 index c1b640211..9090c9fac 100644 Binary files a/tests/regression_tests/surface_source/surface_source_true.h5 and b/tests/regression_tests/surface_source/surface_source_true.h5 differ diff --git a/tests/regression_tests/surface_tally/inputs_true.dat b/tests/regression_tests/surface_tally/inputs_true.dat index 96639a076..1a8907955 100644 --- a/tests/regression_tests/surface_tally/inputs_true.dat +++ b/tests/regression_tests/surface_tally/inputs_true.dat @@ -1,103 +1,102 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 10 - 0 - - - -0.62992 -0.62992 -1 0.62992 0.62992 1 - - - - - - - 13 - - - 14 - - - 0.0 4000000.0 20000000.0 - - - 0.0 0.7853981633974483 3.141592653589793 - - - 0.0 0.7853981633974483 3.141592653589793 - - - 1 - - - 14 - - - 13 - - - 2 - - - 3 - - - 5 6 1 2 3 - current - - - 5 4 1 2 3 - current - - - 7 8 1 2 3 - current - - - 7 4 1 2 3 - current - - - 4 1 2 3 - current - - - 10 1 2 3 - current - - - 11 1 - current - - - 11 1 - current - - + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 10 + 0 + + + -0.62992 -0.62992 -1 0.62992 0.62992 1 + + + + + + 1 + + + 2 + + + 0.0 4000000.0 20000000.0 + + + 0.0 0.7853981633974483 3.141592653589793 + + + 0.0 0.7853981633974483 3.141592653589793 + + + 1 + + + 2 + + + 1 + + + 2 + + + 3 + + + 5 6 1 2 3 + current + + + 5 4 1 2 3 + current + + + 7 8 1 2 3 + current + + + 7 4 1 2 3 + current + + + 4 1 2 3 + current + + + 10 1 2 3 + current + + + 11 1 + current + + + 11 1 + current + + + diff --git a/tests/regression_tests/surface_tally/test.py b/tests/regression_tests/surface_tally/test.py index d21f361e6..001fe6448 100644 --- a/tests/regression_tests/surface_tally/test.py +++ b/tests/regression_tests/surface_tally/test.py @@ -6,7 +6,8 @@ from tests.testing_harness import PyAPITestHarness class SurfaceTallyTestHarness(PyAPITestHarness): - def _build_inputs(self): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) # Instantiate some Materials and register the appropriate Nuclides uo2 = openmc.Material(name='UO2 fuel at 2.4% wt enrichment') uo2.set_density('g/cc', 10.0) @@ -21,8 +22,7 @@ class SurfaceTallyTestHarness(PyAPITestHarness): borated_water.add_nuclide('O16', 1.0) # Instantiate a Materials collection and export to XML - materials_file = openmc.Materials([uo2, borated_water]) - materials_file.export_to_xml() + self._model.materials = openmc.Materials([uo2, borated_water]) # Instantiate ZCylinder surfaces fuel_or = openmc.ZCylinder(surface_id=1, x0=0, y0=0, r=1, @@ -61,8 +61,7 @@ class SurfaceTallyTestHarness(PyAPITestHarness): root_univ.add_cell(root_cell) # Instantiate a Geometry, register the root Universe - geometry = openmc.Geometry(root_univ) - geometry.export_to_xml() + self._model.geometry = openmc.Geometry(root_univ) # Instantiate a Settings object, set all runtime parameters settings_file = openmc.Settings() @@ -76,7 +75,7 @@ class SurfaceTallyTestHarness(PyAPITestHarness): uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:],\ only_fissionable=True) settings_file.source = openmc.source.Source(space=uniform_dist) - settings_file.export_to_xml() + self._model.settings = settings_file # Tallies file tallies_file = openmc.Tallies() @@ -156,7 +155,7 @@ class SurfaceTallyTestHarness(PyAPITestHarness): surf_tally3.scores = ['current'] tallies_file.append(surf_tally3) - tallies_file.export_to_xml() + self._model.tallies = tallies_file def _get_results(self): """Digest info in the statepoint and return as a string.""" @@ -174,5 +173,5 @@ class SurfaceTallyTestHarness(PyAPITestHarness): def test_surface_tally(): - harness = SurfaceTallyTestHarness('statepoint.10.h5') + harness = SurfaceTallyTestHarness('statepoint.10.h5', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/tallies/inputs_true.dat b/tests/regression_tests/tallies/inputs_true.dat index 61daba0d4..e6725024a 100644 --- a/tests/regression_tests/tallies/inputs_true.dat +++ b/tests/regression_tests/tallies/inputs_true.dat @@ -1,38 +1,187 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 1.26 1.26 - 17 17 - -10.71 -10.71 - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 1.26 1.26 + 17 17 + -10.71 -10.71 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 @@ -50,12 +199,12 @@ 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 - - - 1.26 1.26 - 17 17 - -10.71 -10.71 - + + + 1.26 1.26 + 17 17 + -10.71 -10.71 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 @@ -73,12 +222,12 @@ 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 - - - 21.42 21.42 - 21 21 - -224.91 -224.91 - + + + 21.42 21.42 + 21 21 + -224.91 -224.91 + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 @@ -100,12 +249,12 @@ 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 - - - 21.42 21.42 - 21 21 - -224.91 -224.91 - + + + 21.42 21.42 + 21 21 + -224.91 -224.91 + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 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 @@ -127,378 +276,228 @@ 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 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 400 - 5 - 0 - - - -160 -160 -183 160 160 183 - - - - - - - 2 2 - -182.07 -182.07 - 182.07 182.07 - - - -3.14159 -1.885 -0.6283 0.6283 1.885 3.14159 - - - 1 - - - 10 21 22 23 - - - 1 2 3 4 5 6 - - - 0.0 0.253 1000.0 1000000.0 20000000.0 - - - 0.0 0.253 1000.0 1000000.0 20000000.0 - - - 1 2 3 4 - - - -1.0 -0.5 0.0 0.5 1.0 - - - 0.0 0.6283 1.2566 1.885 2.5132 3.14159 - - - 4 - - - 4 - - - 1 2 3 4 6 8 - - - 1 2 5 3 6 - - - 10 21 22 23 60 - - - 21 22 23 27 28 29 60 - - - 1 - flux - tracklength - - - 1 - flux - analog - - - 1 2 - flux - tracklength - - - 3 - total - - - 4 - U235 O16 total - delayed-nu-fission decay-rate - - - 5 - total - - - 6 - scatter - - - 5 6 - scatter nu-fission - - - 7 - total - - - 8 - scatter nu-scatter - - - 8 2 - scatter nu-scatter - - - 9 - flux - tracklength - - - 9 - flux - analog - - - 9 2 - flux - tracklength - - - 10 - scatter nu-scatter - analog - - - 11 - scatter nu-scatter flux total - analog - - - 11 - flux total - collision - - - 11 - flux total - tracklength - - - 12 - total - - - 15 - scatter - - - 13 - absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate - tracklength - - - 13 - U235 O16 total - absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate - tracklength - - - 13 - absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate - analog - - - 13 - U235 O16 total - absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate - analog - - - 13 - absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate - collision - - - 13 - U235 O16 total - absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate - collision - - - 14 - flux - tracklength - - - 14 - flux - analog - - - 14 - flux - collision - - - H1-production H2-production H3-production He3-production He4-production heating damage-energy - - + + + + + + + + + + + + + + + + + + + + + eigenvalue + 400 + 5 + 0 + + + -160 -160 -183 160 160 183 + + + + + + 2 2 + -182.07 -182.07 + 182.07 182.07 + + + -3.14159 -1.885 -0.6283 0.6283 1.885 3.14159 + + + 1 + + + 10 21 22 23 + + + 1 2 3 4 5 6 + + + 0.0 0.253 1000.0 1000000.0 20000000.0 + + + 0.0 0.253 1000.0 1000000.0 20000000.0 + + + 1 2 3 4 + + + -1.0 -0.5 0.0 0.5 1.0 + + + 0.0 0.6283 1.2566 1.885 2.5132 3.14159 + + + 4 + + + 4 + + + 1 2 3 4 6 8 + + + 1 2 5 3 6 + + + 10 21 22 23 60 + + + 21 22 23 27 28 29 60 + + + 1 + flux + tracklength + + + 1 + flux + analog + + + 1 2 + flux + tracklength + + + 3 + total + + + 4 + U235 O16 total + delayed-nu-fission decay-rate + + + 5 + total + + + 6 + scatter + + + 5 6 + scatter nu-fission + + + 7 + total + + + 8 + scatter nu-scatter + + + 8 2 + scatter nu-scatter + + + 9 + flux + tracklength + + + 9 + flux + analog + + + 9 2 + flux + tracklength + + + 10 + scatter nu-scatter + analog + + + 11 + scatter nu-scatter flux total + analog + + + 11 + flux total + collision + + + 11 + flux total + tracklength + + + 12 + total + + + 15 + scatter + + + 13 + absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate + tracklength + + + 13 + U235 O16 total + absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate + tracklength + + + 13 + absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate + analog + + + 13 + U235 O16 total + absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate + analog + + + 13 + absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate + collision + + + 13 + U235 O16 total + absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate + collision + + + 14 + flux + tracklength + + + 14 + flux + analog + + + 14 + flux + collision + + + H1-production H2-production H3-production He3-production He4-production heating damage-energy + + + diff --git a/tests/regression_tests/tally_aggregation/inputs_true.dat b/tests/regression_tests/tally_aggregation/inputs_true.dat index 80356f711..bb2dcddc5 100644 --- a/tests/regression_tests/tally_aggregation/inputs_true.dat +++ b/tests/regression_tests/tally_aggregation/inputs_true.dat @@ -1,57 +1,56 @@ - - - - - - 1.2 1.2 - 1 - 2 2 - -1.2 -1.2 - + + + + + + + + + + + + + + + + + + + + + + 1.2 1.2 + 1 + 2 2 + -1.2 -1.2 + 1 1 1 1 - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 10 - 5 - - - - - 0.0 0.253 1000.0 1000000.0 20000000.0 - - - 1 - - - 1 2 - U234 U235 U238 - nu-fission total - - + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + + + 0.0 0.253 1000.0 1000000.0 20000000.0 + + + 1 + + + 1 2 + U234 U235 U238 + nu-fission total + + + diff --git a/tests/regression_tests/tally_arithmetic/inputs_true.dat b/tests/regression_tests/tally_arithmetic/inputs_true.dat index fbbf94fa9..41760f3cf 100644 --- a/tests/regression_tests/tally_arithmetic/inputs_true.dat +++ b/tests/regression_tests/tally_arithmetic/inputs_true.dat @@ -1,56 +1,55 @@ - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 5 - 0 - - - - - 2 2 - -10.0 -10.0 - 10.0 10.0 - - - 1 2 - - - 0.0 10.0 20000000.0 - - - 1 - - - 2 1 - U234 U235 - nu-fission total - - - 1 3 - U238 U235 - total fission - - + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 5 + 0 + + + + 2 2 + -10.0 -10.0 + 10.0 10.0 + + + 1 2 + + + 0.0 10.0 20000000.0 + + + 1 + + + 2 1 + U234 U235 + nu-fission total + + + 1 3 + U238 U235 + total fission + + + diff --git a/tests/regression_tests/tally_slice_merge/inputs_true.dat b/tests/regression_tests/tally_slice_merge/inputs_true.dat index 6f421b1d9..5b5731efb 100644 --- a/tests/regression_tests/tally_slice_merge/inputs_true.dat +++ b/tests/regression_tests/tally_slice_merge/inputs_true.dat @@ -1,38 +1,187 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 1.26 1.26 - 17 17 - -10.71 -10.71 - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 1.26 1.26 + 17 17 + -10.71 -10.71 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 @@ -50,12 +199,12 @@ 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 - - - 1.26 1.26 - 17 17 - -10.71 -10.71 - + + + 1.26 1.26 + 17 17 + -10.71 -10.71 + 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 @@ -73,12 +222,12 @@ 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 - - - 21.42 21.42 - 21 21 - -224.91 -224.91 - + + + 21.42 21.42 + 21 21 + -224.91 -224.91 + 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 @@ -100,12 +249,12 @@ 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 - - - 21.42 21.42 - 21 21 - -224.91 -224.91 - + + + 21.42 21.42 + 21 21 + -224.91 -224.91 + 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 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 @@ -127,222 +276,72 @@ 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 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 100 - 10 - 5 - - - -160 -160 -183 160 160 183 - - - - - - - - 2 2 - -50.0 -50.0 - 50.0 50.0 - - - 21 27 - - - 0.0 0.625 20000000.0 - - - 21 - - - 1 - - - 16 8 - U235 U238 - fission nu-fission - tracklength - - - 6 8 - U235 U238 - fission nu-fission - tracklength - - - 7 8 - U235 U238 - fission nu-fission - tracklength - - + + + + + + + + + + + + + + + + + + + + + eigenvalue + 100 + 10 + 5 + + + -160 -160 -183 160 160 183 + + + + + + + 2 2 + -50.0 -50.0 + 50.0 50.0 + + + 21 27 + + + 0.0 0.625 20000000.0 + + + 21 + + + 1 + + + 16 8 + U235 U238 + fission nu-fission + tracklength + + + 6 8 + U235 U238 + fission nu-fission + tracklength + + + 7 8 + U235 U238 + fission nu-fission + tracklength + + + diff --git a/tests/regression_tests/torus/inputs_true.dat b/tests/regression_tests/torus/inputs_true.dat index 0ccbda400..c4aa2072a 100644 --- a/tests/regression_tests/torus/inputs_true.dat +++ b/tests/regression_tests/torus/inputs_true.dat @@ -1,34 +1,34 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - eigenvalue - 1000 - 10 - 5 - + + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 1000 + 10 + 5 + + diff --git a/tests/regression_tests/torus/large_major/inputs_true.dat b/tests/regression_tests/torus/large_major/inputs_true.dat index ae3f72d0f..8e3c9a9e3 100644 --- a/tests/regression_tests/torus/large_major/inputs_true.dat +++ b/tests/regression_tests/torus/large_major/inputs_true.dat @@ -1,37 +1,36 @@ - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - -1000.0 0 0 - - - - - - - flux - - + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + -1000.0 0 0 + + + + + + flux + + + diff --git a/tests/regression_tests/track_output/geometry.xml b/tests/regression_tests/track_output/geometry.xml deleted file mode 100644 index 5b16fe26c..000000000 --- a/tests/regression_tests/track_output/geometry.xml +++ /dev/null @@ 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-1.0 -1.0 -1.0 1.0 1.0 1.0 + + + 1 1 1 1 1 30 2 1 60 + + diff --git a/tests/regression_tests/track_output/settings.xml b/tests/regression_tests/track_output/settings.xml deleted file mode 100644 index dcfa118c8..000000000 --- a/tests/regression_tests/track_output/settings.xml +++ /dev/null @@ -1,23 +0,0 @@ - - - - - eigenvalue - 2 - 0 - 100 - - - - - -1 -1 -1 1 1 1 - - - - - 1 1 1 - 1 1 30 - 2 1 60 - - - diff --git a/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat b/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat index 2c422697b..d30f24fc0 100644 --- a/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat +++ b/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat @@ -1,35 +1,34 @@ - - - - - - - - - - - - - - eigenvalue - 400 - 15 - 10 - - 0.003 - std_dev - - - true - 1000 - 1 - - 1 - - - - - flux - - + + + + + + + + + + + + + eigenvalue + 400 + 15 + 10 + + 0.003 + std_dev + + + true + 1000 + 1 + + 1 + + + + flux + + + diff --git a/tests/regression_tests/triso/inputs_true.dat b/tests/regression_tests/triso/inputs_true.dat index 2ea049465..c43483884 100644 --- a/tests/regression_tests/triso/inputs_true.dat +++ b/tests/regression_tests/triso/inputs_true.dat @@ -1,442 +1,442 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 0.3333333333333333 0.3333333333333333 0.3333333333333333 - 38 - 3 3 3 - -0.5 -0.5 -0.5 - -17 18 19 -14 15 16 -11 12 13 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 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+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + eigenvalue + 100 + 4 + 0 + + + 0.0 0.0 0.0 + + + + diff --git a/tests/regression_tests/triso/test.py b/tests/regression_tests/triso/test.py index c44715691..248724cc2 100644 --- a/tests/regression_tests/triso/test.py +++ b/tests/regression_tests/triso/test.py @@ -9,7 +9,8 @@ from tests.testing_harness import PyAPITestHarness class TRISOTestHarness(PyAPITestHarness): - def _build_inputs(self): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) # Define TRISO matrials fuel = openmc.Material() fuel.set_density('g/cm3', 10.5) @@ -78,20 +79,19 @@ class TRISOTestHarness(PyAPITestHarness): box.fill = lattice root = openmc.Universe(0, cells=[box]) - geom = openmc.Geometry(root) - geom.export_to_xml() + self._model.geometry = openmc.Geometry(root) settings = openmc.Settings() settings.batches = 4 settings.inactive = 0 settings.particles = 100 settings.source = openmc.Source(space=openmc.stats.Point()) - settings.export_to_xml() + self._model.settings = settings - mats = openmc.Materials([fuel, porous_carbon, ipyc, sic, opyc, graphite]) - mats.export_to_xml() + self._model.materials = openmc.Materials([fuel, porous_carbon, ipyc, + sic, opyc, graphite]) def test_triso(): - harness = TRISOTestHarness('statepoint.4.h5') + harness = TRISOTestHarness('statepoint.4.h5', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/unstructured_mesh/inputs_true.dat b/tests/regression_tests/unstructured_mesh/inputs_true.dat index e556782ad..dba721d7e 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_hexes.e - - - 1 - - - 2 - - - 1 - flux - collision - - - 2 - flux - collision - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_hexes.e + + + 1 + + + 2 + + + 1 + flux + collision + + + 2 + flux + collision + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/inputs_true0.dat index 2e2594cde..7c3b5a53a 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true0.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true0.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets_w_holes.e - - - 1 - - - 2 - - - 1 - flux - collision - - - 2 - flux - collision - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets_w_holes.e + + + 1 + + + 2 + + + 1 + flux + collision + + + 2 + flux + collision + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/inputs_true1.dat index 84a3b186b..2a0ca5168 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true1.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true1.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets.e - - - 1 - - - 2 - - - 1 - flux - collision - - - 2 - flux - collision - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets.e + + + 1 + + + 2 + + + 1 + flux + collision + + + 2 + flux + collision + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true10.dat b/tests/regression_tests/unstructured_mesh/inputs_true10.dat index e9272a333..1290a9835 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true10.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true10.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets_w_holes.e - - - 1 - - - 2 - - - 1 - flux - collision - - - 2 - flux - collision - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets_w_holes.e + + + 1 + + + 2 + + + 1 + flux + collision + + + 2 + flux + collision + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true11.dat b/tests/regression_tests/unstructured_mesh/inputs_true11.dat index 0b89d280c..5edb5cf0f 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true11.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true11.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets.e - - - 1 - - - 2 - - - 1 - flux - collision - - - 2 - flux - collision - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets.e + + + 1 + + + 2 + + + 1 + flux + collision + + + 2 + flux + collision + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true12.dat b/tests/regression_tests/unstructured_mesh/inputs_true12.dat index b3673a254..d8def3b5b 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true12.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true12.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets_w_holes.e - - - 1 - - - 2 - - - 1 - flux - tracklength - - - 2 - flux - tracklength - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets_w_holes.e + + + 1 + + + 2 + + + 1 + flux + tracklength + + + 2 + flux + tracklength + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true13.dat b/tests/regression_tests/unstructured_mesh/inputs_true13.dat index c466396b6..3afb0ce50 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true13.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true13.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets.e - - - 1 - - - 2 - - - 1 - flux - tracklength - - - 2 - flux - tracklength - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets.e + + + 1 + + + 2 + + + 1 + flux + tracklength + + + 2 + flux + tracklength + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true14.dat b/tests/regression_tests/unstructured_mesh/inputs_true14.dat index 8c6a5120a..b7de468ea 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true14.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true14.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets_w_holes.e - - - 1 - - - 2 - - - 1 - flux - tracklength - - - 2 - flux - tracklength - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets_w_holes.e + + + 1 + + + 2 + + + 1 + flux + tracklength + + + 2 + flux + tracklength + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true15.dat b/tests/regression_tests/unstructured_mesh/inputs_true15.dat index 1b9abbd83..bdb1dd037 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true15.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true15.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets.e - - - 1 - - - 2 - - - 1 - flux - tracklength - - - 2 - flux - tracklength - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets.e + + + 1 + + + 2 + + + 1 + flux + tracklength + + + 2 + flux + tracklength + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/inputs_true2.dat index 7136d485a..b2a998786 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true2.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true2.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets_w_holes.e - - - 1 - - - 2 - - - 1 - flux - collision - - - 2 - flux - collision - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets_w_holes.e + + + 1 + + + 2 + + + 1 + flux + collision + + + 2 + flux + collision + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/inputs_true3.dat index 23900a060..4a66dc2a6 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true3.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true3.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets.e - - - 1 - - - 2 - - - 1 - flux - collision - - - 2 - flux - collision - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets.e + + + 1 + + + 2 + + + 1 + flux + collision + + + 2 + flux + collision + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true4.dat b/tests/regression_tests/unstructured_mesh/inputs_true4.dat index 995a1828f..7006c0f41 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true4.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true4.dat @@ -1,92 +1,91 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 100 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets_w_holes.exo - - - 9 - - - 10 - - - 9 - flux - tracklength - - - 10 - flux - tracklength - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 100 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets_w_holes.exo + + + 9 + + + 10 + + + 9 + flux + tracklength + + + 10 + flux + tracklength + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true5.dat b/tests/regression_tests/unstructured_mesh/inputs_true5.dat index 60229e5e5..6c20900fa 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true5.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true5.dat @@ -1,92 +1,91 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 100 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets.exo - - - 11 - - - 12 - - - 11 - flux - tracklength - - - 12 - flux - tracklength - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 100 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets.exo + + + 11 + + + 12 + + + 11 + flux + tracklength + + + 12 + flux + tracklength + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true6.dat b/tests/regression_tests/unstructured_mesh/inputs_true6.dat index 7a9257cb7..e0be90360 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true6.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true6.dat @@ -1,92 +1,91 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 100 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets_w_holes.exo - - - 13 - - - 14 - - - 13 - flux - tracklength - - - 14 - flux - tracklength - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 100 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets_w_holes.exo + + + 13 + + + 14 + + + 13 + flux + tracklength + + + 14 + flux + tracklength + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true7.dat b/tests/regression_tests/unstructured_mesh/inputs_true7.dat index 52802febf..3a4cc1b83 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true7.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true7.dat @@ -1,92 +1,91 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 100 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets.exo - - - 15 - - - 16 - - - 15 - flux - tracklength - - - 16 - flux - tracklength - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 100 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets.exo + + + 15 + + + 16 + + + 15 + flux + tracklength + + + 16 + flux + tracklength + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true8.dat b/tests/regression_tests/unstructured_mesh/inputs_true8.dat index a0cbbcae7..bd19a95ae 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true8.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true8.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets_w_holes.e - - - 1 - - - 2 - - - 1 - flux - collision - - - 2 - flux - collision - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets_w_holes.e + + + 1 + + + 2 + + + 1 + flux + collision + + + 2 + flux + collision + + + diff --git a/tests/regression_tests/unstructured_mesh/inputs_true9.dat b/tests/regression_tests/unstructured_mesh/inputs_true9.dat index 930bd8579..2e595a96c 100644 --- a/tests/regression_tests/unstructured_mesh/inputs_true9.dat +++ b/tests/regression_tests/unstructured_mesh/inputs_true9.dat @@ -1,91 +1,90 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 10 - - - - - 1.0 1.0 - - - 0.0 1.0 - - - - 15000000.0 1.0 - - - - - - - 10 10 10 - -10.0 -10.0 -10.0 - 10.0 10.0 10.0 - - - test_mesh_tets.e - - - 1 - - - 2 - - - 1 - flux - collision - - - 2 - flux - collision - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 10 + + + + + 1.0 1.0 + + + 0.0 1.0 + + + + 15000000.0 1.0 + + + + + + 10 10 10 + -10.0 -10.0 -10.0 + 10.0 10.0 10.0 + + + test_mesh_tets.e + + + 1 + + + 2 + + + 1 + flux + collision + + + 2 + flux + collision + + + diff --git a/tests/regression_tests/void/inputs_true.dat b/tests/regression_tests/void/inputs_true.dat index 644952097..443c168bd 100644 --- a/tests/regression_tests/void/inputs_true.dat +++ b/tests/regression_tests/void/inputs_true.dat @@ -1,132 +1,131 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 1000 - 3 - - - 0.0 0.0 0.0 - - - - - - - 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 - - - 1 - total - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 3 + + + 0.0 0.0 0.0 + + + + + + 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 + + + 1 + total + + + diff --git a/tests/regression_tests/volume_calc/inputs_true.dat b/tests/regression_tests/volume_calc/inputs_true.dat index aaf6d8b00..879e05b8f 100644 --- a/tests/regression_tests/volume_calc/inputs_true.dat +++ b/tests/regression_tests/volume_calc/inputs_true.dat @@ -1,75 +1,75 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - volume - - cell - 1 2 3 - 100000 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - material - 1 2 - 100000 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - universe - 0 - 100000 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - cell - 1 2 3 - 100 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - - material - 1 2 - 100 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - - cell - 1 2 3 - 100 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + volume + + cell + 1 2 3 + 100000 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + material + 1 2 + 100000 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + universe + 0 + 100000 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + cell + 1 2 3 + 100 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + + material + 1 2 + 100 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + + cell + 1 2 3 + 100 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + + diff --git a/tests/regression_tests/volume_calc/inputs_true_mg.dat b/tests/regression_tests/volume_calc/inputs_true_mg.dat index 21c2a9834..f114bd8c2 100644 --- a/tests/regression_tests/volume_calc/inputs_true_mg.dat +++ b/tests/regression_tests/volume_calc/inputs_true_mg.dat @@ -1,76 +1,76 @@ - - - - - - - - - - - - - mg_lib.h5 - - - - - - - - - - - - - - - volume - multi-group - - cell - 1 2 3 - 100000 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - material - 1 2 - 100000 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - universe - 0 - 100000 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - cell - 1 2 3 - 100 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - - material - 1 2 - 100 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - - cell - 1 2 3 - 100 - -1.0 -1.0 -6.0 - 1.0 1.0 6.0 - - - + + + mg_lib.h5 + + + + + + + + + + + + + + + + + + + + + + + + volume + multi-group + + cell + 1 2 3 + 100000 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + material + 1 2 + 100000 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + universe + 0 + 100000 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + cell + 1 2 3 + 100 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + + material + 1 2 + 100 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + + cell + 1 2 3 + 100 + -1.0 -1.0 -6.0 + 1.0 1.0 6.0 + + + + diff --git a/tests/regression_tests/volume_calc/test.py b/tests/regression_tests/volume_calc/test.py index e04eac7ff..c94d16c79 100644 --- a/tests/regression_tests/volume_calc/test.py +++ b/tests/regression_tests/volume_calc/test.py @@ -21,7 +21,6 @@ class VolumeTest(PyAPITestHarness): if not is_ce: self.inputs_true = 'inputs_true_mg.dat' - def _build_inputs(self): # Define materials water = openmc.Material(1) water.add_nuclide('H1', 2.0) @@ -39,7 +38,7 @@ class VolumeTest(PyAPITestHarness): materials = openmc.Materials((water, fuel)) if not self.is_ce: materials.cross_sections = 'mg_lib.h5' - materials.export_to_xml() + self._model.materials = materials cyl = openmc.ZCylinder(surface_id=1, r=1.0, boundary_type='vacuum') top_sphere = openmc.Sphere(surface_id=2, z0=5., r=1., boundary_type='vacuum') @@ -53,8 +52,7 @@ class VolumeTest(PyAPITestHarness): bottom_hemisphere = openmc.Cell(3, fill=water, region=-bottom_sphere & -top_plane) root = openmc.Universe(0, cells=(inside_cyl, top_hemisphere, bottom_hemisphere)) - geometry = openmc.Geometry(root) - geometry.export_to_xml() + self._model.geometry = openmc.Geometry(root) # Set up stochastic volume calculation ll, ur = root.bounding_box @@ -79,7 +77,7 @@ class VolumeTest(PyAPITestHarness): if not self.is_ce: settings.energy_mode = 'multi-group' settings.volume_calculations = vol_calcs - settings.export_to_xml() + self._model.settings = settings # Create the MGXS file if necessary if not self.is_ce: @@ -170,5 +168,5 @@ class VolumeTest(PyAPITestHarness): @pytest.mark.parametrize('is_ce', [True, False]) def test_volume_calc(is_ce): - harness = VolumeTest(is_ce, '') + harness = VolumeTest(is_ce, '', model=openmc.Model()) harness.main() diff --git a/tests/regression_tests/weightwindows/inputs_true.dat b/tests/regression_tests/weightwindows/inputs_true.dat index eb42baddf..16f03a4a0 100644 --- a/tests/regression_tests/weightwindows/inputs_true.dat +++ b/tests/regression_tests/weightwindows/inputs_true.dat @@ -1,96 +1,95 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - fixed source - 200 - 2 - - - 0.001 0.001 0.001 - - - 14000000.0 1.0 - - 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self._model.export_to_model_xml() def _get_inputs(self): """Return a hash digest of the input XML files.""" - xmls = ['geometry.xml', 'materials.xml', 'settings.xml', - 'tallies.xml', 'plots.xml'] + xmls = ['model.xml', 'plots.xml'] return ''.join([open(fname).read() for fname in xmls if os.path.exists(fname)]) @@ -371,7 +370,7 @@ class PyAPITestHarness(TestHarness): """Delete XMLs, statepoints, tally, and test files.""" super()._cleanup() output = ['materials.xml', 'geometry.xml', 'settings.xml', - 'tallies.xml', 'plots.xml', 'inputs_test.dat'] + 'tallies.xml', 'plots.xml', 'inputs_test.dat', 'model.xml'] for f in output: if os.path.exists(f): os.remove(f) diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py new file mode 100644 index 000000000..4382b49ba --- /dev/null +++ b/tests/unit_tests/test_cylindrical_mesh.py @@ -0,0 +1,196 @@ +from itertools import product, permutations + +import openmc +import numpy as np + +import pytest + +geom_size = 5 + +@pytest.fixture() +def model(): + openmc.reset_auto_ids() + + water = openmc.Material(name='water') + water.add_element('H', 2.0) + water.add_element('O', 1.0) + water.set_density('g/cc', 1.0) + + rpp = openmc.model.RectangularParallelepiped(*([-geom_size, geom_size] * 3), + boundary_type='vacuum') + + cell = openmc.Cell(region=-rpp, fill=water) + + geom = openmc.Geometry([cell]) + + source = openmc.Source() + source.space = openmc.stats.Point() + source.energy = openmc.stats.Discrete([10000], [1.0]) + + settings = openmc.Settings() + settings.particles = 2000 + settings.batches = 10 + settings.run_mode = 'fixed source' + + # build + mesh = openmc.CylindricalMesh() + mesh.phi_grid = np.linspace(0, 2*np.pi, 21) + mesh.z_grid = np.linspace(-geom_size, geom_size, 11) + mesh.r_grid = np.linspace(0, geom_size, geom_size) + + tally = openmc.Tally() + + mesh_filter = openmc.MeshFilter(mesh) + tally.filters.append(mesh_filter) + + tally.scores.append("flux") + + tallies = openmc.Tallies([tally]) + + return openmc.Model(geometry=geom, settings=settings, tallies=tallies) + +def test_origin_read_write_to_xml(run_in_tmpdir, model): + """Tests that the origin attribute can be written and read back to XML + """ + mesh = model.tallies[0].filters[0].mesh + mesh.origin = [0.1, 0.2, 0.3] + model.tallies.export_to_xml() + + # read back + new_tallies = openmc.Tallies.from_xml() + new_tally = new_tallies[0] + new_mesh = new_tally.filters[0].mesh + np.testing.assert_equal(new_mesh.origin, mesh.origin) + +estimators = ('tracklength', 'collision') +origins = set(permutations((-geom_size, 0, 0))) +origins |= set(permutations((geom_size, 0, 0))) + +test_cases = product(estimators, origins) + +def label(p): + if isinstance(p, tuple): + return f'origin:{p}' + if isinstance(p, str): + return f'estimator:{p}' + +@pytest.mark.parametrize('estimator,origin', test_cases, ids=label) +def test_offset_mesh(run_in_tmpdir, model, estimator, origin): + """Tests that the mesh has been moved based on tally results + """ + mesh = model.tallies[0].filters[0].mesh + model.tallies[0].estimator = estimator + # move the center of the cylinder mesh upwards + mesh.origin = origin + + sp_filename = model.run() + + with openmc.StatePoint(sp_filename) as sp: + tally = sp.tallies[1] + + # we've translated half of the cylinder mesh above the model, + # so ensure that half of the bins are populated + assert np.count_nonzero(tally.mean) == tally.mean.size / 2 + + # check that the half of the mesh that is outside of the geometry + # contains the zero values + mean = tally.get_reshaped_data('mean', expand_dims=True) + centroids = mesh.centroids + for ijk in mesh.indices: + i, j, k = np.array(ijk) - 1 + if model.geometry.find(centroids[:, i, j, k]): + mean[i, j, k] == 0.0 + else: + mean[i, j, k] != 0.0 + +@pytest.fixture() +def void_coincident_geom_model(): + """A model with many geometric boundaries coincident with mesh boundaries + across many scales + """ + openmc.reset_auto_ids() + model = openmc.model.Model() + + model.materials = openmc.Materials() + radii = [0.1,1, 5, 50, 100, 150, 250] + cylinders = [openmc.ZCylinder(r=ri) for ri in radii] + cylinders[-1].boundary_type = 'vacuum' + + regions = openmc.model.subdivide(cylinders)[:-1] + cells = [openmc.Cell(region=r, fill=None) for r in regions] + geom = openmc.Geometry(cells) + + model.geometry = geom + + settings = openmc.Settings(run_mode='fixed source') + settings.batches = 2 + settings.particles = 1000 + model.settings = settings + + mesh = openmc.CylindricalMesh() + mesh.r_grid = np.linspace(0, 250, 501) + mesh.z_grid = [-250, 250] + mesh.phi_grid = np.linspace(0, 2*np.pi, 2) + mesh_filter = openmc.MeshFilter(mesh) + + tally = openmc.Tally() + tally.scores = ['flux'] + tally.filters = [mesh_filter] + + model.tallies = openmc.Tallies([tally]) + + return model + + +# convenience function for checking tally results +# in the following tests +def _check_void_cylindrical_tally(statepoint_filename): + with openmc.StatePoint(statepoint_filename) as sp: + flux_tally = sp.tallies[1] + mesh = flux_tally.find_filter(openmc.MeshFilter).mesh + neutron_flux = flux_tally.get_reshaped_data().squeeze() + # we expect the tally results to be the same as the mesh grid width + # for these cases + d_r = mesh.r_grid[1] - mesh.r_grid[0] + assert neutron_flux == pytest.approx(d_r) + +def test_void_geom_pnt_src(run_in_tmpdir, void_coincident_geom_model): + src = openmc.Source() + src.space = openmc.stats.Point() + src.angle = openmc.stats.PolarAzimuthal(mu=openmc.stats.Discrete([0.0], [1.0])) + src.energy = openmc.stats.Discrete([14.06e6], [1]) + void_coincident_geom_model.settings.source = src + + sp_filename = void_coincident_geom_model.run() + _check_void_cylindrical_tally(sp_filename) + + +def test_void_geom_boundary_src(run_in_tmpdir, void_coincident_geom_model): + # update source to a number of points on the outside of the cylinder + # with directions pointing toward the origin + bbox = void_coincident_geom_model.geometry.bounding_box + + # can't source particle directly on the geometry boundary + outer_r = bbox[1][0] - 1e-08 + + n_sources = 100 + radial_vals = np.linspace(0.0, 2.0*np.pi, n_sources) + + sources = [] + + energy = openmc.stats.Discrete([14.06e6], [1]) + for val in radial_vals: + src = openmc.Source() + src.energy = energy + + pnt = np.array([np.cos(val), np.sin(val), 0.0]) + u = -pnt + src.space = openmc.stats.Point(outer_r*pnt) + src.angle = openmc.stats.Monodirectional(u) + src.strength = 0.5/n_sources + sources.append(src) + + void_coincident_geom_model.settings.source = sources + sp_filename = void_coincident_geom_model.run() + + _check_void_cylindrical_tally(sp_filename) \ No newline at end of file diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py index 1842ad8ac..539f4d6bd 100644 --- a/tests/unit_tests/test_deplete_activation.py +++ b/tests/unit_tests/test_deplete_activation.py @@ -33,7 +33,7 @@ def model(): ) model.settings.run_mode = 'fixed source' - rx_tally = openmc.Tally() + rx_tally = openmc.Tally(name='activation tally') rx_tally.scores = ['(n,gamma)'] model.tallies.append(rx_tally) @@ -47,13 +47,13 @@ ENERGIES = np.logspace(log10(1e-5), log10(2e7), 100) ("direct", {}, 1e-5), ("flux", {'energies': ENERGIES}, 0.01), ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)']}, 1e-5), - ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)'], 'nuclides': ['W186']}, 1e-5), + ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)'], 'nuclides': ['W186', 'H3']}, 1e-2), ]) def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts, tolerance): # Determine (n.gamma) reaction rate using initial run sp = model.run() with openmc.StatePoint(sp) as sp: - tally = sp.tallies[1] + tally = sp.get_tally(name='activation tally') capture_rate = tally.mean.flat[0] # Create one-nuclide depletion chain diff --git a/tests/unit_tests/test_filter_mesh.py b/tests/unit_tests/test_filter_mesh.py index 3bb836e46..c93bfa037 100644 --- a/tests/unit_tests/test_filter_mesh.py +++ b/tests/unit_tests/test_filter_mesh.py @@ -1,6 +1,7 @@ import math import numpy as np +import pytest from uncertainties import unumpy import openmc @@ -112,6 +113,105 @@ def test_cylindrical_mesh_estimators(run_in_tmpdir): std_dev = unumpy.std_devs(delta) assert np.all(diff < 3*std_dev) + +@pytest.mark.parametrize("scale", [0.1, 1.0, 1e2, 1e4, 1e5]) +def test_cylindrical_mesh_coincident(scale, run_in_tmpdir): + """Test for cylindrical mesh boundary being coincident with a cell boundary""" + + fuel = openmc.Material() + fuel.add_nuclide('U235', 1.) + fuel.set_density('g/cm3', 4.5) + + zcyl = openmc.ZCylinder(r=1.25*scale) + box = openmc.rectangular_prism(4*scale, 4*scale, boundary_type='reflective') + cell1 = openmc.Cell(fill=fuel, region=-zcyl) + cell2 = openmc.Cell(fill=None, region=+zcyl & box) + model = openmc.Model() + model.geometry = openmc.Geometry([cell1, cell2]) + + model.settings.particles = 100 + model.settings.batches = 10 + model.settings.inactive = 0 + + cyl_mesh = openmc.CylindricalMesh() + cyl_mesh.r_grid = [0., 1.25*scale] + cyl_mesh.phi_grid = [0., 2*math.pi] + cyl_mesh.z_grid = [-1e10, 1e10] + cyl_mesh_filter = openmc.MeshFilter(cyl_mesh) + cell_filter = openmc.CellFilter([cell1]) + + tally1 = openmc.Tally() + tally1.filters = [cyl_mesh_filter] + tally1.scores = ['flux'] + tally2 = openmc.Tally() + tally2.filters = [cell_filter] + tally2.scores = ['flux'] + model.tallies = openmc.Tallies([tally1, tally2]) + + # Run OpenMC + sp_filename = model.run() + + # Get flux for each of the two tallies + with openmc.StatePoint(sp_filename) as sp: + t1 = sp.tallies[tally1.id] + t2 = sp.tallies[tally2.id] + mean1 = t1.mean.ravel()[0] + mean2 = t2.mean.ravel()[0] + + # The two tallies should be exactly the same + assert mean1 == pytest.approx(mean2) + + +@pytest.mark.parametrize("scale", [0.1, 1.0, 1e2, 1e4, 1e5]) +def test_spherical_mesh_coincident(scale, run_in_tmpdir): + """Test for spherical mesh boundary being coincident with a cell boundary""" + + fuel = openmc.Material() + fuel.add_nuclide('U235', 1.) + fuel.set_density('g/cm3', 4.5) + + sph = openmc.Sphere(r=1.25*scale) + rcc = openmc.model.RectangularParallelepiped( + -2*scale, 2*scale, -2*scale, 2*scale, -2*scale, 2*scale, + boundary_type='reflective') + cell1 = openmc.Cell(fill=fuel, region=-sph) + cell2 = openmc.Cell(fill=None, region=+sph & -rcc) + model = openmc.Model() + model.geometry = openmc.Geometry([cell1, cell2]) + + model.settings.particles = 100 + model.settings.batches = 10 + model.settings.inactive = 0 + + sph_mesh = openmc.SphericalMesh() + sph_mesh.r_grid = [0., 1.25*scale] + sph_mesh.phi_grid = [0., 2*math.pi] + sph_mesh.theta_grid = [0., math.pi] + sph_mesh_filter = openmc.MeshFilter(sph_mesh) + cell_filter = openmc.CellFilter([cell1]) + + tally1 = openmc.Tally() + tally1.filters = [sph_mesh_filter] + tally1.scores = ['flux'] + tally2 = openmc.Tally() + tally2.filters = [cell_filter] + tally2.scores = ['flux'] + model.tallies = openmc.Tallies([tally1, tally2]) + + # Run OpenMC + sp_filename = model.run() + + # Get flux for each of the two tallies + with openmc.StatePoint(sp_filename) as sp: + t1 = sp.tallies[tally1.id] + t2 = sp.tallies[tally2.id] + mean1 = t1.mean.ravel()[0] + mean2 = t2.mean.ravel()[0] + + # The two tallies should be exactly the same + assert mean1 == pytest.approx(mean2) + + def test_get_reshaped_data(run_in_tmpdir): """Test that expanding MeshFilter dimensions works as expected""" diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py index a9dcd7243..4c0a43877 100644 --- a/tests/unit_tests/test_mesh_to_vtk.py +++ b/tests/unit_tests/test_mesh_to_vtk.py @@ -1,3 +1,5 @@ +from itertools import product + import numpy as np from pathlib import Path import pytest @@ -7,29 +9,77 @@ from vtk.util import numpy_support as nps import openmc +@pytest.fixture +def model(): + openmc.reset_auto_ids() + + surf1 = openmc.Sphere(r=10, boundary_type='vacuum') + surf2 = openmc.XPlane(x0=-0.001, boundary_type='vacuum') + + cell = openmc.Cell(region=-surf1 & -surf2) + + geometry = openmc.Geometry([cell]) + + settings = openmc.Settings() + settings.batches = 2 + settings.particles = 100 + settings.run_mode = 'fixed source' + + source = openmc.Source() + source.angle = openmc.stats.Isotropic() + source.energy = openmc.stats.Discrete([1.0e6], [1.0]) + source.space = openmc.stats.Point((-0.01, -0.01, -0.01)) + + settings.source = source + + model = openmc.Model(geometry=geometry, settings=settings) + + return model + regular_mesh = openmc.RegularMesh() -regular_mesh.lower_left = (0, 0, 0) -regular_mesh.upper_right = (1, 1, 1) +regular_mesh.lower_left = (-10, -10, -10) +regular_mesh.upper_right = (10, 10, 10) regular_mesh.dimension = [30, 20, 10] rectilinear_mesh = openmc.RectilinearMesh() -rectilinear_mesh.x_grid = np.linspace(1, 2, num=30) -rectilinear_mesh.y_grid = np.linspace(1, 2, num=30) -rectilinear_mesh.z_grid = np.linspace(1, 2, num=30) +rectilinear_mesh.x_grid = np.linspace(-10, 10, 6) +rectilinear_mesh.y_grid = np.logspace(0, 1, 7) +rectilinear_mesh.y_grid = \ + np.concatenate((-rectilinear_mesh.y_grid[::-1], rectilinear_mesh.y_grid)) +rectilinear_mesh.z_grid = np.linspace(-10, 10, 11) cylinder_mesh = openmc.CylindricalMesh() -cylinder_mesh.r_grid = np.linspace(1, 2, num=30) -cylinder_mesh.phi_grid = np.linspace(0, np.pi, num=50) -cylinder_mesh.z_grid = np.linspace(0, 1, num=30) +cylinder_mesh.r_grid = np.linspace(0, 10, 23) +cylinder_mesh.phi_grid = np.linspace(0, np.pi, 21) +cylinder_mesh.z_grid = np.linspace(0, 1, 15) spherical_mesh = openmc.SphericalMesh() -spherical_mesh.r_grid = np.linspace(1, 2, num=30) -spherical_mesh.phi_grid = np.linspace(0, np.pi, num=50) -spherical_mesh.theta_grid = np.linspace(0, np.pi / 2, num=30) +spherical_mesh.r_grid = np.linspace(1, 10, 30) +spherical_mesh.phi_grid = np.linspace(0, 0.8*np.pi, 25) +spherical_mesh.theta_grid = np.linspace(0, np.pi / 2, 15) + +MESHES = [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh] + +x_plane = openmc.XPlane(x0=-0.001, boundary_type='vacuum') +y_plane = openmc.YPlane(y0=-0.001, boundary_type='vacuum') +z_plane = openmc.ZPlane(z0=-0.001, boundary_type='vacuum') + +SURFS = [x_plane, y_plane, z_plane] -@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh]) +def ids(mesh): + if isinstance(mesh, openmc.CylindricalMesh): + return 'cylindrical_mesh' + elif isinstance(mesh, openmc.RegularMesh): + return 'regular_mesh' + elif isinstance(mesh, openmc.RectilinearMesh): + return 'rectilinear_mesh' + elif isinstance(mesh, openmc.SphericalMesh): + return 'spherical_mesh' + + +@pytest.mark.parametrize("mesh", MESHES, ids=ids) def test_write_data_to_vtk(mesh, tmpdir): # BUILD filename = Path(tmpdir) / "out.vtk" @@ -69,7 +119,7 @@ def test_write_data_to_vtk(mesh, tmpdir): assert all(data1 == 1.0) -@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh]) +@pytest.mark.parametrize("mesh", MESHES, ids=ids) def test_write_data_to_vtk_size_mismatch(mesh): """Checks that an error is raised when the size of the dataset doesn't match the mesh number of cells @@ -149,3 +199,77 @@ def test_write_data_to_vtk_round_trip(run_in_tmpdir): # checks that the vtk cell values are equal to the data assert np.array_equal(vtk_values, data) + +def mesh_surf_id(param): + if isinstance(param, openmc.MeshBase): + return ids(param) + elif isinstance(param, openmc.XPlane): + return 'XPlane' + elif isinstance(param, openmc.YPlane): + return 'YPlane' + elif isinstance(param, openmc.ZPlane): + return 'ZPlane' + + +@pytest.mark.parametrize("mesh,surface", product(MESHES, SURFS), ids=mesh_surf_id) +def test_vtk_write_ordering(model, mesh, surface): + + tally = openmc.Tally() + tally.scores = ['flux'] + # use the mesh on the specified tally + mesh_filter = openmc.MeshFilter(mesh) + tally.filters = [mesh_filter] + + model.tallies = openmc.Tallies([tally]) + + # run the problem + sp_filename = model.run() + + with openmc.StatePoint(sp_filename) as sp: + mean = sp.tallies[tally.id].mean + + # write the data to a VTK file + vtk_filename = 'test.vtk' + mesh.write_data_to_vtk(vtk_filename, datasets={'mean': mean}) + + # read file + reader = vtk.vtkStructuredGridReader() + reader.SetFileName(str(vtk_filename)) + reader.Update() + + # check name of datasets + vtk_grid = reader.GetOutput() + array = vtk_grid.GetCellData().GetArray(0) + vtk_data = nps.vtk_to_numpy(array) + + # convenience function for determining if a mesh + # element has vertices in the geometry. This + # particular geometry allows us to assume that tally results + # in the element should be zero if none of its vertices lie in the geometry + def in_geom(cell): + point_ids = cell.GetPointIds() + + for i in range(point_ids.GetNumberOfIds()): + p = vtk_grid.GetPoint(point_ids.GetId(i)) + if model.geometry.find(p): + return True + + return False + + # reshape mean according to mesh dimensions + mean = mean.reshape(mesh.dimension[::-1]).T + centroid = [0.0, 0.0, 0.0] + + # check that tally and vtk array results are zero where expected + for ijk in mesh.indices: + ijk = tuple(n - 1 for n in ijk) + # get the cell from the stuctured mesh object + cell = vtk_grid.GetCell(*ijk) + if not in_geom(cell): + cell.GetCentroid(centroid) + err_msg = f'IJK: {ijk} should be zero but is not. Centroid: {centroid}' + assert mean[ijk] == 0.0, err_msg + + # need to get flat index with axes reversed due to ordering passed into the VTK file + flat_idx = np.ravel_multi_index(tuple(ijk[::-1]), mesh.dimension[::-1]) + assert vtk_data[flat_idx] == 0.0, err_msg diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py index 081fb520d..cabf9af6d 100644 --- a/tests/unit_tests/test_plotter.py +++ b/tests/unit_tests/test_plotter.py @@ -4,7 +4,7 @@ import pytest from matplotlib.figure import Figure -@pytest.fixture(scope="module") +@pytest.fixture(scope='module') def test_mat(): mat_1 = openmc.Material() mat_1.add_element("H", 4.0, "ao") @@ -12,7 +12,6 @@ def test_mat(): mat_1.add_element("C", 4.0, "ao") return mat_1 - def test_calculate_cexs_elem_mat_sab(test_mat): """Checks that sab cross sections are included in the _calculate_cexs_elem_mat method and have the correct shape""" @@ -33,12 +32,11 @@ def test_calculate_cexs_elem_mat_sab(test_mat): assert len(data[0]) == len(energy_grid) -@pytest.mark.parametrize("this,data_type", [("Li", "element"), ("Li6", "nuclide")]) -def test_calculate_cexs_with_element(this, data_type): - +@pytest.mark.parametrize("this", ["Li", "Li6"]) +def test_calculate_cexs_with_nuclide_and_element(this): # single type (reaction) energy_grid, data = openmc.plotter.calculate_cexs( - this=this, data_type=data_type, types=[205] + this=this, types=[205] ) assert isinstance(energy_grid, np.ndarray) @@ -47,9 +45,9 @@ def test_calculate_cexs_with_element(this, data_type): assert len(data) == 1 assert len(data[0]) == len(energy_grid) - # two types (reaction) + # two types (reactions) energy_grid, data = openmc.plotter.calculate_cexs( - this=this, data_type=data_type, types=[2, "elastic"] + this=this, types=[2, "elastic"] ) assert isinstance(energy_grid, np.ndarray) @@ -64,7 +62,7 @@ def test_calculate_cexs_with_element(this, data_type): def test_calculate_cexs_with_materials(test_mat): energy_grid, data = openmc.plotter.calculate_cexs( - this=test_mat, types=[205], data_type="material" + this=test_mat, types=[205] ) assert isinstance(energy_grid, np.ndarray) @@ -74,14 +72,10 @@ def test_calculate_cexs_with_materials(test_mat): assert len(data[0]) == len(energy_grid) -@pytest.mark.parametrize(("this,data_type"), [("Be", "element"), ("Be9", "nuclide")]) -def test_plot_xs(this, data_type): - assert isinstance( - openmc.plotter.plot_xs(this, data_type=data_type, types=["total"]), Figure - ) +@pytest.mark.parametrize("this", ["Be", "Be9"]) +def test_plot_xs(this): + assert isinstance(openmc.plotter.plot_xs(this, types=['total']), Figure) def test_plot_xs_mat(test_mat): - assert isinstance( - openmc.plotter.plot_xs(test_mat, data_type="material", types=["total"]), Figure - ) + assert isinstance(openmc.plotter.plot_xs(test_mat, types=['total']), Figure) diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py new file mode 100644 index 000000000..ac2781378 --- /dev/null +++ b/tests/unit_tests/test_spherical_mesh.py @@ -0,0 +1,209 @@ +from itertools import product, permutations + +import openmc +import numpy as np + +import pytest + +geom_size = 5 + +@pytest.fixture() +def model(): + openmc.reset_auto_ids() + + water = openmc.Material(name='water') + water.add_element('H', 2.0) + water.add_element('O', 1.0) + water.set_density('g/cc', 1.0) + + rpp = openmc.model.RectangularParallelepiped(*([-geom_size, geom_size] * 3), + boundary_type='vacuum') + + cell = openmc.Cell(region=-rpp, fill=water) + + geom = openmc.Geometry([cell]) + + source = openmc.Source() + source.space = openmc.stats.Point() + source.energy = openmc.stats.Discrete([10000], [1.0]) + + settings = openmc.Settings() + settings.particles = 2000 + settings.batches = 10 + settings.run_mode = 'fixed source' + + # build + mesh = openmc.SphericalMesh() + mesh.phi_grid = np.linspace(0, 2*np.pi, 13) + mesh.theta_grid = np.linspace(0, np.pi, 7) + mesh.r_grid = np.linspace(0, geom_size, geom_size) + + tally = openmc.Tally() + + mesh_filter = openmc.MeshFilter(mesh) + tally.filters.append(mesh_filter) + + tally.scores.append("flux") + + tallies = openmc.Tallies([tally]) + + return openmc.Model(geometry=geom, settings=settings, tallies=tallies) + +def test_origin_read_write_to_xml(run_in_tmpdir, model): + """Tests that the origin attribute can be written and read back to XML + """ + mesh = model.tallies[0].filters[0].mesh + mesh.origin = [0.1, 0.2, 0.3] + model.tallies.export_to_xml() + + # read back + new_tallies = openmc.Tallies.from_xml() + new_tally = new_tallies[0] + new_mesh = new_tally.filters[0].mesh + np.testing.assert_equal(new_mesh.origin, mesh.origin) + +estimators = ('tracklength', 'collision') +# TODO: determine why this is needed for spherical mesh +# but not cylindrical mesh +offset = geom_size + 0.001 + +origins = set(permutations((-offset, 0, 0))) +origins |= set(permutations((offset, 0, 0))) + +test_cases = product(estimators, origins) + +def label(p): + if isinstance(p, tuple): + return f'origin:{p}' + if isinstance(p, str): + return f'estimator:{p}' + +@pytest.mark.parametrize('estimator,origin', test_cases, ids=label) +def test_offset_mesh(run_in_tmpdir, model, estimator, origin): + """Tests that the mesh has been moved based on tally results + """ + mesh = model.tallies[0].filters[0].mesh + model.tallies[0].estimator = estimator + # move the center of the spherical mesh + mesh.origin = origin + + sp_filename = model.run() + + with openmc.StatePoint(sp_filename) as sp: + tally = sp.tallies[1] + + # we've translated half of the spherical mesh above the model, + # so ensure that half of the bins are populated + assert np.count_nonzero(tally.mean) == tally.mean.size / 2 + + # check that the half of the mesh that is outside of the geometry + # contains the zero values + mean = tally.get_reshaped_data('mean', expand_dims=True) + centroids = mesh.centroids + for ijk in mesh.indices: + i, j, k = np.array(ijk) - 1 + if model.geometry.find(centroids[:, i, j, k]): + mean[i, j, k] == 0.0 + else: + mean[i, j, k] != 0.0 + +# Some void geometry tests to check our radial intersection methods on +# spherical and cylindrical meshes + +@pytest.fixture() +def void_coincident_geom_model(): + """A model with many geometric boundaries coincident with mesh boundaries + across many scales + """ + openmc.reset_auto_ids() + + model = openmc.Model() + + model.materials = openmc.Materials() + radii = [0.1, 1, 5, 50, 100, 150, 250] + spheres = [openmc.Sphere(r=ri) for ri in radii] + spheres[-1].boundary_type = 'vacuum' + + regions = openmc.model.subdivide(spheres)[:-1] + cells = [openmc.Cell(region=r, fill=None) for r in regions] + geom = openmc.Geometry(cells) + + model.geometry = geom + + settings = openmc.Settings(run_mode='fixed source') + settings.batches = 2 + settings.particles = 5000 + model.settings = settings + + mesh = openmc.SphericalMesh() + mesh.r_grid = np.linspace(0, 250, 501) + mesh_filter = openmc.MeshFilter(mesh) + + tally = openmc.Tally() + tally.scores = ['flux'] + tally.filters = [mesh_filter] + + model.tallies = openmc.Tallies([tally]) + + return model + + +# convenience function for checking tally results +# in the following tests +def _check_void_spherical_tally(statepoint_filename): + with openmc.StatePoint(statepoint_filename) as sp: + flux_tally = sp.tallies[1] + mesh = flux_tally.find_filter(openmc.MeshFilter).mesh + neutron_flux = flux_tally.get_reshaped_data().squeeze() + # the flux values for each bin should equal the width + # width of the mesh bins + d_r = mesh.r_grid[1] - mesh.r_grid[0] + assert neutron_flux == pytest.approx(d_r) + + +def test_void_geom_pnt_src(run_in_tmpdir, void_coincident_geom_model): + # add isotropic point source + src = openmc.Source() + src.space = openmc.stats.Point() + src.energy = openmc.stats.Discrete([14.06e6], [1]) + void_coincident_geom_model.settings.source = src + + # run model and check tally results + sp_filename = void_coincident_geom_model.run() + _check_void_spherical_tally(sp_filename) + + +def test_void_geom_boundary_src(run_in_tmpdir, void_coincident_geom_model): + # update source to a number of points on the outside of the sphere + # with directions pointing toward the origin + n_sources = 20 + phi_vals = np.linspace(0, np.pi, n_sources) + theta_vals = np.linspace(0, 2.0*np.pi, n_sources) + + bbox = void_coincident_geom_model.geometry.bounding_box + # can't source particles directly on the geometry boundary + outer_r = bbox[1][0] - 1e-08 + + sources = [] + + energy = openmc.stats.Discrete([14.06e6], [1]) + + for phi, theta in zip(phi_vals, theta_vals): + + src = openmc.Source() + src.energy = energy + + pnt = np.array([np.sin(phi)*np.cos(theta), np.sin(phi)*np.sin(theta), np.cos(phi)]) + u = -pnt + src.space = openmc.stats.Point(outer_r*pnt) + src.angle = openmc.stats.Monodirectional(u) + # set source strengths so that we can still expect + # a tally value of 0.5 + src.strength = 0.5/n_sources + + sources.append(src) + + void_coincident_geom_model.settings.source = sources + + sp_filename = void_coincident_geom_model.run() + _check_void_spherical_tally(sp_filename) diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py index dbfaa62b1..3f94893ed 100644 --- a/tests/unit_tests/test_surface_composite.py +++ b/tests/unit_tests/test_surface_composite.py @@ -339,3 +339,57 @@ def test_polygon(): offset_star = star_poly.offset(.6) assert (0, 0, 0) in -offset_star assert any([(0, 0, 0) in reg for reg in offset_star.regions]) + + # check invalid Polygon input points + # duplicate points not just at start and end + rz_points = np.array([[6.88, 3.02], + [6.88, 2.72], + [6.88, 3.02], + [7.63, 0.0], + [5.75, 0.0], + [5.75, 1.22], + [7.63, 0.0], + [6.30, 1.22], + [6.30, 3.02], + [6.88, 3.02]]) + with pytest.raises(ValueError): + openmc.model.Polygon(rz_points) + + # segment traces back on previous segment + rz_points = np.array([[6.88, 3.02], + [6.88, 2.72], + [6.88, 2.32], + [6.88, 2.52], + [7.63, 0.0], + [5.75, 0.0], + [6.75, 0.0], + [5.75, 1.22], + [6.30, 1.22], + [6.30, 3.02], + [6.88, 3.02]]) + with pytest.raises(ValueError): + openmc.model.Polygon(rz_points) + + # segments intersect (line-line) + rz_points = np.array([[6.88, 3.02], + [5.88, 2.32], + [7.63, 0.0], + [5.75, 0.0], + [5.75, 1.22], + [6.30, 1.22], + [6.30, 3.02], + [6.88, 3.02]]) + with pytest.raises(ValueError): + openmc.model.Polygon(rz_points) + + # segments intersect (line-point) + rz_points = np.array([[6.88, 3.02], + [6.3, 2.32], + [7.63, 0.0], + [5.75, 0.0], + [5.75, 1.22], + [6.30, 1.22], + [6.30, 3.02], + [6.88, 3.02]]) + with pytest.raises(ValueError): + openmc.model.Polygon(rz_points)