From 3059aa070152c3f9696c0be68f8b2c4c577d5a1c Mon Sep 17 00:00:00 2001 From: John Tramm Date: Tue, 9 Jun 2026 17:08:23 +0000 Subject: [PATCH 01/22] Bootstrap material-wise MGXS with weight windows; fix two random ray bugs Add a `weight_windows_file` argument to Model.convert_to_multigroup() and fix two random ray solver bugs found while developing it. Bootstrapping machinery: - The "material_wise" MGXS generation method can now load and apply weight windows during its continuous energy solve via the new `weight_windows_file` argument. Materials far behind shielding -- which an analog solve cannot reach -- are then tallied and receive nonzero cross sections. The argument is only valid for "material_wise"; a warning is issued and it is ignored for the "stochastic_slab" and "infinite_medium" methods. Random ray miss-rate / intersection reporting fix: - RandomRaySimulation::simulate() now resets avg_miss_rate_ and total_geometric_intersections_ at the start of each solve. Previously a second solve on the same object (e.g. the adjoint solve during FW-CADIS weight window generation) accumulated onto the first solve's running totals, inflating the reported miss rate and intersection count. Reporting only; no effect on results. Random ray weight-window application fix: - apply_weight_windows() is now a no-op in random ray mode. Random ray rays carry unit weight and are not Monte Carlo particles, so subjecting them to weight-window roulette/splitting is meaningless and corrupted the transport sweep. This occurred when surface checkpoints were enabled and an on-the-fly weight window generator auto-enabled weight_windows_on, killing rays during the adjoint sweep. Co-Authored-By: Claude Opus 4.8 --- docs/source/usersguide/random_ray.rst | 59 +++++++++- docs/source/usersguide/variance_reduction.rst | 6 +- openmc/model/model.py | 65 ++++++++++- src/random_ray/random_ray_simulation.cpp | 5 + src/weight_windows.cpp | 5 + .../unit_tests/test_convert_to_multigroup.py | 105 ++++++++++++++++++ 6 files changed, 240 insertions(+), 5 deletions(-) create mode 100644 tests/unit_tests/test_convert_to_multigroup.py diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst index d35aff83b78..82a732210ad 100644 --- a/docs/source/usersguide/random_ray.rst +++ b/docs/source/usersguide/random_ray.rst @@ -672,7 +672,9 @@ of these methods is given below: both spatial and resonance self shielding effects - * Potentially slower as the full geometry must be run * If a material is only present far from the source and doesn't get tallied - to in the CE simulation, the MGXS will be zero for that material. + to in the CE simulation, the MGXS will be zero for that material. This + can be mitigated by supplying weight windows via the + ``weight_windows_file`` argument (see :ref:`mgxs_bootstrap`). * - ``stochastic_slab`` - * Medium Fidelity * Runs a CE simulation with a greatly simplified geometry, where materials @@ -757,6 +759,61 @@ simulation, and if more fidelity is needed the user may wish to follow the instructions below or experiment with transport correction techniques to improve the fidelity of the generated MGXS data. +.. _mgxs_bootstrap: + +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Bootstrapping Material-Wise MGXS with Weight Windows +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + +The ``"material_wise"`` method runs a continuous energy simulation of the +original geometry, so it produces the highest fidelity cross sections of the +three methods. However, it has a notable weakness: if a material only appears +far from the source (for example, a detector or structural material located +outside a thick shield), an analog continuous energy simulation may be unable to +transport any particles to that material. No tallies are scored there, and the +resulting cross sections for that material are zero. This situation is common in +fusion shielding problems. + +This limitation can be overcome by "bootstrapping" the cross section generation +with weight windows. The idea is to first cheaply produce a set of weight windows +that cover the entire problem, and then reuse them to push particles into the far +regions during the higher fidelity ``"material_wise"`` solve. The weight windows +are generated using the ``"stochastic_slab"`` method (which produces cross +sections for *all* materials regardless of their location) together with the +random ray solver and a :class:`~openmc.WeightWindowGenerator`, exactly as +described in the :ref:`FW-CADIS user guide `. The resulting +``weight_windows.h5`` file is then passed to a second, higher fidelity +``"material_wise"`` cross section generation via the ``weight_windows_file`` +argument:: + + # First, generate weight windows with the stochastic slab method and random + # ray (see the FW-CADIS user guide), producing a weight_windows.h5 file. + ... + + # Then, bootstrap a higher fidelity material-wise library, applying those + # weight windows during the continuous energy solve so that particles can + # reach materials far from the source. + model.convert_to_multigroup( + method="material_wise", + weight_windows_file="weight_windows.h5", + overwrite_mgxs_library=True, + ) + +The ``weight_windows_file`` argument is only used with the ``"material_wise"`` +method, as the ``"stochastic_slab"`` and ``"infinite_medium"`` methods use +simplified surrogate geometries that are incompatible with a weight window mesh +defined over the original geometry (and do not need weight windows, since they +already tally all materials). A warning is issued and the argument is ignored if +it is supplied to another method. + +.. note:: + For the weight windows to take effect, they must be defined over a mesh that + covers the original problem geometry. This is automatically the case when the + weight windows are generated from the same model, as described above. The + resulting bootstrapped cross sections can then be used to seed a second, more + accurate random ray solve -- for example, to generate improved FW-CADIS + weight windows for a subsequent Monte Carlo simulation. + ~~~~~~~~~~~~ The Hard Way ~~~~~~~~~~~~ diff --git a/docs/source/usersguide/variance_reduction.rst b/docs/source/usersguide/variance_reduction.rst index d551195f5cc..302e42a53fe 100644 --- a/docs/source/usersguide/variance_reduction.rst +++ b/docs/source/usersguide/variance_reduction.rst @@ -131,7 +131,11 @@ random ray mode can be found in the :ref:`Random Ray User Guide `. If you need to improve the fidelity of the MGXS library, there is more information on generating multigroup cross sections via OpenMC in the - :ref:`random ray MGXS guide `. + :ref:`random ray MGXS guide `. In particular, if some materials sit + far behind shielding (a common situation in fusion analysis) such that the + high-fidelity ``"material_wise"`` method cannot reach them with an analog + solve, the cross section generation itself can be accelerated with weight + windows produced by an earlier run; see :ref:`mgxs_bootstrap`. 2. Add in a :class:`~openmc.WeightWindowGenerator` in a similar manner as for MAGIC generation with Monte Carlo and set the :attr:`method` attribute set to diff --git a/openmc/model/model.py b/openmc/model/model.py index 56c0e7a49fa..58cc5d12a8d 100644 --- a/openmc/model/model.py +++ b/openmc/model/model.py @@ -2405,6 +2405,7 @@ def _isothermal_materialwise_mgxs( directory: PathLike, temperature_settings: dict, temperature: float | None = None, + weight_windows_file: PathLike | None = None, ) -> dict[str, openmc.XSdata]: """Generate a material-wise MGXS library for the model by running the original continuous energy OpenMC simulation. If a temperature is @@ -2435,6 +2436,10 @@ def _isothermal_materialwise_mgxs( The isothermal temperature value to apply to the materials in the input model. If not specified, defaults to the temperatures in the materials. + weight_windows_file : PathLike, optional + Path to a weight windows file to load and apply during the + continuous energy solve. See :meth:`Model.convert_to_multigroup` + for details. Returns ------- @@ -2455,6 +2460,14 @@ def _isothermal_materialwise_mgxs( model.settings.output = {'summary': True, 'tallies': False} model.settings.temperature = temperature_settings + # If a weight window file was provided, load and apply the weight + # windows during the continuous energy solve. This allows materials far + # from the source -- which an analog simulation may struggle to reach -- + # to still be tallied, and thus obtain nonzero cross sections. + if weight_windows_file is not None: + model.settings.weight_windows_file = weight_windows_file + model.settings.weight_windows_on = True + # Generate MGXS mgxs_lib = Model._auto_generate_mgxs_lib( model, groups, correction, directory) @@ -2481,6 +2494,7 @@ def _generate_material_wise_mgxs( directory: PathLike, temperatures: Sequence[float] | None = None, temperature_settings: dict | None = None, + weight_windows_file: PathLike | None = None, ) -> None: """Generate a material-wise MGXS library for the model by running the original continuous energy OpenMC simulation of the full material @@ -2513,6 +2527,10 @@ def _generate_material_wise_mgxs( A dictionary of temperature settings to use when generating MGXS. Valid entries for temperature_settings are the same as the valid entries in openmc.Settings.temperature_settings. + weight_windows_file : PathLike, optional + Path to a weight windows file to load and apply during the + continuous energy solve. See :meth:`Model.convert_to_multigroup` + for details. """ temp_settings = {} if temperature_settings is None: @@ -2527,7 +2545,8 @@ def _generate_material_wise_mgxs( nparticles, correction, directory, - temp_settings + temp_settings, + weight_windows_file=weight_windows_file ).values() # Write the file to disk. @@ -2546,7 +2565,8 @@ def _generate_material_wise_mgxs( correction, directory, temp_settings, - temperature + temperature, + weight_windows_file=weight_windows_file ) # Unpack the isothermal XSData objects and build a single XSData object per material. @@ -2574,6 +2594,7 @@ def convert_to_multigroup( source_energy: openmc.stats.Univariate | None = None, temperatures: Sequence[float] | None = None, temperature_settings: dict | None = None, + weight_windows_file: PathLike | None = None, ): """Convert all materials from continuous energy to multigroup. @@ -2626,10 +2647,48 @@ def convert_to_multigroup( A dictionary of temperature settings to use when generating MGXS. Valid entries for temperature_settings are the same as the valid entries in openmc.Settings.temperature_settings. + weight_windows_file : PathLike, optional + Path to a weight windows file (e.g., ``"weight_windows.h5"``) to + load and apply during the continuous energy MGXS generation + simulation. Applying weight windows allows the simulation to obtain + tallies -- and thus nonzero cross sections -- for materials located + far from the source, for example behind a thick shield, which an + analog simulation may be unable to reach. A typical use case is to + first generate weight windows with the ``"stochastic_slab"`` method + and the random ray solver, then "bootstrap" a higher-fidelity + ``"material_wise"`` library by passing those weight windows here. + This argument is only used with the ``"material_wise"`` method; a + warning is issued and the argument is ignored for the + ``"stochastic_slab"`` and ``"infinite_medium"`` methods. """ if not isinstance(groups, openmc.mgxs.EnergyGroups): groups = openmc.mgxs.EnergyGroups(groups) + # Weight windows are only applicable to the "material_wise" method, + # which runs a continuous energy simulation of the original geometry + # (and is therefore compatible with a weight window mesh defined over + # that geometry). The "stochastic_slab" and "infinite_medium" methods + # use simplified surrogate geometries for which the provided weight + # windows are neither applicable nor needed. + if weight_windows_file is not None: + if method == "material_wise": + # Resolve to an absolute path now: MGXS generation runs in a + # temporary working directory, so a path relative to the current + # working directory would not be found at run time. + weight_windows_file = Path(weight_windows_file).resolve() + if not weight_windows_file.is_file(): + raise FileNotFoundError( + f'Weight windows file "{weight_windows_file}" could ' + 'not be found.' + ) + else: + warnings.warn( + 'The "weight_windows_file" argument is only applicable to ' + 'the "material_wise" MGXS generation method and will be ' + f'ignored for the "{method}" method.' + ) + weight_windows_file = None + # Do all work (including MGXS generation) in a temporary directory # to avoid polluting the working directory with residual XML files with TemporaryDirectory() as tmpdir: @@ -2667,7 +2726,7 @@ def convert_to_multigroup( elif method == "material_wise": self._generate_material_wise_mgxs( groups, nparticles, mgxs_path, correction, tmpdir, - temperatures, temperature_settings) + temperatures, temperature_settings, weight_windows_file) elif method == "stochastic_slab": self._generate_stochastic_slab_mgxs( groups, nparticles, mgxs_path, correction, tmpdir, source_energy, diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp index 24650afb8dd..0eb18e07daa 100644 --- a/src/random_ray/random_ray_simulation.cpp +++ b/src/random_ray/random_ray_simulation.cpp @@ -393,6 +393,11 @@ void RandomRaySimulation::simulate() // Begin main simulation timer simulation::time_total.start(); + // Reset per-solve accumulators, as simulate() may run more than once on the + // same object (e.g. forward then adjoint when generating weight windows) + avg_miss_rate_ = 0.0; + total_geometric_intersections_ = 0; + // Random ray power iteration loop while (simulation::current_batch < settings::n_batches) { // Initialize the current batch diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp index 0614110cd32..95261c594c0 100644 --- a/src/weight_windows.cpp +++ b/src/weight_windows.cpp @@ -945,6 +945,11 @@ void apply_weight_windows(Particle& p) if (!settings::weight_windows_on) return; + // Random ray rays are not Monte Carlo particles and must not be biased by + // weight windows; the solver generates weight windows but never applies them + if (settings::solver_type == SolverType::RANDOM_RAY) + return; + // WW on photon and neutron only if (!p.type().is_neutron() && !p.type().is_photon()) return; diff --git a/tests/unit_tests/test_convert_to_multigroup.py b/tests/unit_tests/test_convert_to_multigroup.py new file mode 100644 index 00000000000..44a6b531087 --- /dev/null +++ b/tests/unit_tests/test_convert_to_multigroup.py @@ -0,0 +1,105 @@ +"""Tests for the ``weight_windows_file`` argument of +:meth:`openmc.Model.convert_to_multigroup`. + +These tests focus on the input validation and the plumbing that threads a weight +windows file into the material-wise MGXS generation simulation. They are +deliberately lightweight and do not run a transport simulation (and therefore do +not require nuclear data): the cross section generation step is either skipped +(by pre-creating the library file) or intercepted via monkeypatching. +""" + +from pathlib import Path + +import pytest + +import openmc + + +def _sphere_model(): + """Build a small, self-contained fixed source model.""" + openmc.reset_auto_ids() + model = openmc.Model() + + mat = openmc.Material(name="fuel") + mat.add_nuclide("U235", 1.0) + mat.set_density("g/cm3", 1.0) + model.materials.append(mat) + + sph = openmc.Sphere(r=10.0, boundary_type="vacuum") + cell = openmc.Cell(fill=mat, region=-sph) + model.geometry = openmc.Geometry([cell]) + + model.settings.run_mode = "fixed source" + model.settings.particles = 100 + model.settings.batches = 10 + model.settings.source = openmc.IndependentSource(space=openmc.stats.Point()) + return model + + +def test_weight_windows_file_threaded_into_material_wise(run_in_tmpdir, monkeypatch): + """The provided weight windows file is loaded and enabled on the model that + is actually run during material-wise MGXS generation, with its path resolved + to an absolute location (the solve runs in a temporary directory).""" + model = _sphere_model() + + # A file must exist for the material_wise validation to pass. + Path("weight_windows.h5").touch() + + captured = {} + + class _StopGeneration(Exception): + pass + + def spy(run_model, groups, correction, directory): + captured["file"] = run_model.settings.weight_windows_file + captured["on"] = run_model.settings.weight_windows_on + # Short-circuit before any transport simulation is launched. + raise _StopGeneration + + monkeypatch.setattr( + openmc.Model, "_auto_generate_mgxs_lib", staticmethod(spy)) + + with pytest.raises(_StopGeneration): + model.convert_to_multigroup( + method="material_wise", + groups="CASMO-2", + weight_windows_file="weight_windows.h5", + overwrite_mgxs_library=True, + ) + + assert captured["on"] is True + assert captured["file"] is not None + ww_path = Path(captured["file"]) + assert ww_path.is_absolute() + assert ww_path.name == "weight_windows.h5" + + +@pytest.mark.parametrize("method", ["stochastic_slab", "infinite_medium"]) +def test_weight_windows_file_wrong_method_warns(run_in_tmpdir, method): + """Supplying weight windows to a method other than material_wise issues a + warning and is otherwise ignored.""" + model = _sphere_model() + + # Pre-create the MGXS library so that the conversion skips generation + # entirely (no simulation is run, so no nuclear data is required). + Path("mgxs.h5").touch() + + with pytest.warns(UserWarning, match="weight_windows_file"): + model.convert_to_multigroup( + method=method, + weight_windows_file="weight_windows.h5", + ) + + assert model.settings.energy_mode == "multi-group" + + +def test_weight_windows_file_missing_raises(run_in_tmpdir): + """A material-wise conversion with a nonexistent weight windows file raises a + clear error before any simulation is attempted.""" + model = _sphere_model() + + with pytest.raises(FileNotFoundError, match="[Ww]eight windows"): + model.convert_to_multigroup( + method="material_wise", + weight_windows_file="does_not_exist.h5", + ) From 54021ec80498e711db476c0224bc3f8b6bb16a92 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 00:43:03 +0000 Subject: [PATCH 02/22] Add shielded-pocket example and MGXS bootstrap regression test Add openmc.examples.sphere_with_shielded_pocket: a continuous energy deep-shielding model with a steel pocket behind ~1 m of concrete, reached by analog histories with probability ~4e-5. The concrete sphere is offset from the source so the deep shielding (and thus the wide weight window range) exists only in the small solid angle toward the pocket, keeping weight window splitting cheap and the model fast enough for regression testing (~8 s serial for the full three-stage bootstrap workflow). Intended for weight window and variance reduction feature tests. The new regression test runs the full bootstrap workflow on this model: stochastic_slab MGXS -> random ray FW-CADIS weight windows -> material_wise MGXS with weight_windows_file. The analog material_wise solve must produce zero cross sections for the steel (negative control); the bootstrapped solve must cover all materials. Verdicts verified robust over 10 Monte Carlo seeds and 3 weight-window-generation seeds. Co-Authored-By: Claude Fable 5 --- docs/source/pythonapi/examples.rst | 1 + openmc/examples.py | 102 ++++++++++++++- .../__init__.py | 0 .../random_ray_auto_convert_bootstrap/test.py | 119 ++++++++++++++++++ 4 files changed, 221 insertions(+), 1 deletion(-) create mode 100644 tests/regression_tests/random_ray_auto_convert_bootstrap/__init__.py create mode 100644 tests/regression_tests/random_ray_auto_convert_bootstrap/test.py diff --git a/docs/source/pythonapi/examples.rst b/docs/source/pythonapi/examples.rst index e7ef523c0e3..9efbd29c710 100644 --- a/docs/source/pythonapi/examples.rst +++ b/docs/source/pythonapi/examples.rst @@ -11,6 +11,7 @@ Simple Models :template: myfunction.rst openmc.examples.slab_mg + openmc.examples.sphere_with_shielded_pocket Reactor Models -------------- diff --git a/openmc/examples.py b/openmc/examples.py index 90a0bffe7b8..21c1e29b22d 100644 --- a/openmc/examples.py +++ b/openmc/examples.py @@ -1618,4 +1618,104 @@ def fill_cube(N, n_1, n_2, fill_1, fill_2, fill_3): model.settings = settings model.tallies = tallies - return model \ No newline at end of file + return model + +def sphere_with_shielded_pocket() -> openmc.Model: + """Create a continuous energy deep-shielding model with a far detector pocket. + + A 2 MeV isotropic neutron source sits in a small air cavity at the origin, + inside a concrete sphere whose center is offset along the +x axis. A small + steel pocket is embedded flush with the sphere surface on the +x axis, + behind roughly a meter of concrete, while the concrete is much thinner in + every other direction. The geometry is designed for testing weight window + and variance reduction workflows: + + - The probability that an analog source neutron reaches the steel pocket is + ~4e-5 (the product of the concrete attenuation and the pocket's small + solid angle), so an analog simulation with a few hundred histories + essentially never tallies the steel, while even crude global weight + windows allow particles to reach it reliably. + - Because the sphere is offset, deep shielding (and thus a wide weight + window dynamic range) exists only within the small solid angle subtended + by the pocket, which keeps weight window splitting cheap and convergent + and the whole model fast enough for regression testing. + + Returns + ------- + model : openmc.Model + A deep-shielding model with a steel pocket behind a thick concrete + shield + + """ + model = openmc.Model() + + ########################################################################### + # Materials (few nuclides, to keep data loading cheap in multi-solve tests) + + air = openmc.Material(name='Air') + air.set_density('g/cm3', 0.001225) + air.add_nuclide('N14', 0.79, 'ao') + air.add_nuclide('O16', 0.21, 'ao') + + concrete = openmc.Material(name='Concrete') + concrete.set_density('g/cm3', 2.3) + concrete.add_nuclide('H1', 0.168759, 'ao') + concrete.add_nuclide('O16', 0.562489, 'ao') + concrete.add_nuclide('Si28', 0.203031, 'ao') + concrete.add_nuclide('Ca40', 0.044849, 'ao') + concrete.add_nuclide('Al27', 0.020872, 'ao') + + steel = openmc.Material(name='Steel') + steel.set_density('g/cm3', 7.87) + steel.add_nuclide('Fe56', 1.0) + + model.materials = openmc.Materials([air, concrete, steel]) + + ########################################################################### + # Geometry + + # Concrete sphere, offset along +x so that the full shielding depth exists + # only between the source and the pocket. + r_sphere = 66.0 + x_offset = 54.0 + cavity_half_width = 6.0 + pocket_inner_face = 98.0 + pocket_half_width = 4.0 + + sphere = openmc.Sphere(x0=x_offset, r=r_sphere, boundary_type='vacuum') + cavity_box = openmc.model.RectangularParallelepiped( + -cavity_half_width, cavity_half_width, + -cavity_half_width, cavity_half_width, + -cavity_half_width, cavity_half_width) + # The pocket box extends past the sphere surface and is clipped by it, so + # the pocket sits flush with (and just inside) the outer surface. + pocket_box = openmc.model.RectangularParallelepiped( + pocket_inner_face, x_offset + r_sphere + 1.0, + -pocket_half_width, pocket_half_width, + -pocket_half_width, pocket_half_width) + + cavity_cell = openmc.Cell(name='cavity', fill=air, region=-cavity_box) + pocket_cell = openmc.Cell(name='pocket', fill=steel, + region=-pocket_box & -sphere) + concrete_cell = openmc.Cell( + name='concrete', fill=concrete, + region=-sphere & +cavity_box & ~(-pocket_box & -sphere)) + + model.geometry = openmc.Geometry([cavity_cell, pocket_cell, concrete_cell]) + + ########################################################################### + # Source and settings + + source = openmc.IndependentSource() + source.space = openmc.stats.Box([-cavity_half_width] * 3, + [cavity_half_width] * 3) + source.constraints = {'domains': [cavity_cell]} + source.angle = openmc.stats.Isotropic() + source.energy = openmc.stats.Discrete([2.0e6], [1.0]) + + model.settings.run_mode = 'fixed source' + model.settings.source = source + model.settings.particles = 1000 + model.settings.batches = 10 + + return model diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/__init__.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/__init__.py new file mode 100644 index 00000000000..e69de29bb2d diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py new file mode 100644 index 00000000000..a09e270524d --- /dev/null +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py @@ -0,0 +1,119 @@ +import copy + +import numpy as np +import openmc +from openmc.examples import sphere_with_shielded_pocket +from openmc.utility_funcs import change_directory + + +GROUPS = 'CASMO-4' + + +def mgxs_coverage(path): + """Return (covered, uncovered) material name lists for an MGXS library. + + A material is "covered" if its total cross section is finite with at least + one positive value; materials that received no tallies during generation + have all-zero cross sections. + """ + library = openmc.MGXSLibrary.from_hdf5(path) + covered, uncovered = [], [] + for xsdata in library.xsdatas: + total = np.asarray(xsdata.total[0], dtype=float) + if np.all(np.isfinite(total)) and np.any(total > 0.0): + covered.append(xsdata.name) + else: + uncovered.append(xsdata.name) + return covered, uncovered + + +def make_weight_windows(model): + """Generate FW-CADIS weight windows for the model with random ray, using + MGXS from the stochastic_slab method, and return the weight window file.""" + mg_model = copy.deepcopy(model) + mg_model.convert_to_multigroup( + method='stochastic_slab', groups=GROUPS, nparticles=50, + overwrite_mgxs_library=True, mgxs_path='mgxs_slab.h5') + mg_model.convert_to_random_ray() + + # Overlay a ~10 cm source region / weight window mesh on the geometry + bbox = mg_model.geometry.bounding_box + ll = np.asarray(bbox.lower_left) + ur = np.asarray(bbox.upper_right) + mesh = openmc.RegularMesh() + mesh.dimension = np.round((ur - ll) / 10.0).astype(int) + mesh.lower_left = ll + mesh.upper_right = ur + + rr = mg_model.settings.random_ray + rr['source_region_meshes'] = [(mesh, [mg_model.geometry.root_universe])] + rr['distance_inactive'] = 100.0 + rr['distance_active'] = 400.0 + # convert_to_random_ray samples ray origins from the bounding box, which + # for a spherical geometry includes regions outside the geometry. Sample + # from the box inscribed in the sphere instead. + center = (ll + ur) / 2 + half = (ur - ll).min() / 2 / np.sqrt(3.0) * 0.99 + rr['ray_source'] = openmc.IndependentSource( + space=openmc.stats.Box(center - half, center + half)) + rr['source_shape'] = 'flat' + rr['sample_method'] = 'halton' + rr['volume_estimator'] = 'hybrid' + + mg_model.settings.particles = 1000 + mg_model.settings.batches = 20 + mg_model.settings.inactive = 15 + mg_model.settings.weight_window_generators = openmc.WeightWindowGenerator( + method='fw_cadis', mesh=mesh, max_realizations=20, + energy_bounds=openmc.mgxs.EnergyGroups(GROUPS).group_edges) + mg_model.run() + return 'weight_windows.h5' + + +def test_random_ray_auto_convert_bootstrap(tmp_path): + """Bootstrapped material-wise MGXS generation with weight windows. + + The example model holds a steel pocket behind ~1 m of concrete, which a + ~200 history analog solve reaches with probability well below 1%. The + "material_wise" MGXS method therefore produces zero cross sections for the + steel unless the continuous energy solve applies weight windows, supplied + here via the weight_windows_file argument from a stochastic_slab + random + ray FW-CADIS generation pass (the analog stage doubles as the negative + control). + """ + with change_directory(tmp_path): + openmc.reset_auto_ids() + model = sphere_with_shielded_pocket() + + # Inherited by every continuous energy solve below. Weight window + # checkpoints assist the bootstrapped solve; they also propagate into + # the random ray weight window generation run, where they must have no + # effect on the rays (random ray generates weight windows but must + # never apply them). + model.settings.weight_window_checkpoints = { + 'collision': True, 'surface': True} + model.settings.max_history_splits = 100_000 + + # Stage 1: cheap global weight windows (stochastic_slab -> FW-CADIS) + ww_file = make_weight_windows(model) + + # Stage 2 (negative control): the analog material_wise solve cannot + # reach the steel pocket, so its MGXS must come out zero. + analog = copy.deepcopy(model) + analog.convert_to_multigroup( + method='material_wise', groups=GROUPS, nparticles=1, + overwrite_mgxs_library=True, mgxs_path='mgxs_analog.h5') + covered, uncovered = mgxs_coverage('mgxs_analog.h5') + assert uncovered == ['Steel'] + assert sorted(covered) == ['Air', 'Concrete'] + + # Stage 3: the same solve bootstrapped with weight windows reaches the + # pocket and produces a complete library. + boot = copy.deepcopy(model) + boot.convert_to_multigroup( + method='material_wise', groups=GROUPS, nparticles=1, + overwrite_mgxs_library=True, mgxs_path='mgxs_boot.h5', + weight_windows_file=ww_file) + covered, uncovered = mgxs_coverage('mgxs_boot.h5') + assert uncovered == [] + assert sorted(covered) == ['Air', 'Concrete', 'Steel'] From 5b9a294ca3d39dfadbbdee3f5cac2c8c2fc3307e Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 01:16:25 +0000 Subject: [PATCH 03/22] Compare quantitative results in MGXS bootstrap regression test Restructure the bootstrap regression test as a TolerantPyAPITestHarness with reference files so that subtle changes to the random ray or weight window machinery are detected, not just binary coverage flips. The compared results contain the FW-CADIS weight window bounds and the analog material-wise MGXS data, both measured reproducible across runs and thread counts (bounds to ~5e-15; analog MGXS bitwise). The bootstrapped MGXS values are deliberately not value-compared: a Monte Carlo solve with weight window splitting is not run-to-run reproducible when multithreaded (same seed and thread count gave few-percent differences, with tail energy groups flipping between zero and nonzero), so only its binary material coverage -- the feature guarantee -- is asserted. The coverage asserts are hard asserts inside the harness run so a broken feature cannot be baked into references by an --update run. Reference files generated with OPENMC_ENABLE_STRICT_FP=on (RelWithDebInfo) at OMP_NUM_THREADS=2, matching CI; the test passes unchanged at 1, 2, and 4 threads and runs in ~8 s serial. Co-Authored-By: Claude Fable 5 --- .../inputs_true.dat | 96 + .../results_true.dat | 17673 ++++++++++++++++ .../random_ray_auto_convert_bootstrap/test.py | 170 +- 3 files changed, 17885 insertions(+), 54 deletions(-) create mode 100644 tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat create mode 100644 tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat new file mode 100644 index 00000000000..28504e2083f --- /dev/null +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat @@ -0,0 +1,96 @@ + + + + mgxs_slab.h5 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + fixed source + 1000 + 20 + 15 + + + -6.0 -6.0 -6.0 6.0 6.0 6.0 + + + + 2000000.0 1.0 + + + cell + 1 + + + multi-group + + + 1 + 0.0 0.625 5530.0 821000.0 20000000.0 + neutron + 20 + 1 + true + fw_cadis + + + + 13 13 13 + -12.0 -66.0 -66.0 + 120.0 66.0 66.0 + + + true + true + + 100000 + + + + + 16.275933411149857 -37.72406658885014 -37.72406658885014 91.72406658885015 37.72406658885014 37.72406658885014 + + + + 100.0 + 400.0 + + + + + + flat + halton + hybrid + + + diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat new file mode 100644 index 00000000000..f795a3e27e6 --- /dev/null +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat @@ -0,0 +1,17673 @@ +RegularMesh + ID = 1 + Name = + Dimensions = 3 + Voxels = [13 13 13] + Lower left = [-12. -66. -66.] + Upper Right = [np.float64(120.0), np.float64(66.0), np.float64(66.0)] + Width = [10.15384615 10.15384615 10.15384615] + +Lower Bounds +-1.00e+00 +-1.00e+00 +-1.00e+00 +-1.00e+00 +-1.00e+00 +-1.00e+00 +-1.00e+00 +-1.00e+00 +-1.00e+00 +-1.00e+00 +-1.00e+00 +-1.00e+00 +-1.00e+00 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+4.550265e-07 +5.403241e-05 +scatter +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +analog MGXS Concrete +total +2.148695e-01 +3.881716e-01 +4.913592e-01 +6.086109e-01 +absorption +5.991037e-05 +2.940632e-05 +3.647754e-04 +7.805623e-03 +scatter +1.761235e-01 +3.843158e-02 +2.545138e-04 +0.000000e+00 +0.000000e+00 +3.570804e-01 +3.106182e-02 +0.000000e+00 +0.000000e+00 +0.000000e+00 +4.600706e-01 +3.092382e-02 +0.000000e+00 +0.000000e+00 +0.000000e+00 +6.008053e-01 +analog MGXS Steel +total +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +absorption +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +scatter +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py index a09e270524d..e5fd3fb1ed3 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py @@ -1,9 +1,11 @@ import copy +import os import numpy as np import openmc from openmc.examples import sphere_with_shielded_pocket -from openmc.utility_funcs import change_directory + +from tests.testing_harness import TolerantPyAPITestHarness GROUPS = 'CASMO-4' @@ -27,9 +29,117 @@ def mgxs_coverage(path): return covered, uncovered -def make_weight_windows(model): - """Generate FW-CADIS weight windows for the model with random ray, using - MGXS from the stochastic_slab method, and return the weight window file.""" +class MGXSBootstrapTestHarness(TolerantPyAPITestHarness): + """Runs the full MGXS bootstrap workflow. + + The harness model is the random ray FW-CADIS weight window generation run + (stage 1). After it executes, the analog (stage 2) and bootstrapped + (stage 3) material-wise MGXS generation solves are run from the original + continuous energy model. + + The compared results contain the generated weight window bounds and the + analog MGXS data, both of which are reproducible across runs and thread + counts, so they detect subtle changes anywhere in the random ray solver, + the weight window generation machinery, or the MGXS generation chain. The + bootstrapped MGXS values are deliberately NOT value-compared: a Monte + Carlo solve with weight window splitting is not reproducible run-to-run + when multithreaded (the splitting order perturbs the tracking), so only + its binary material coverage -- which is the feature guarantee -- is + asserted. + """ + + def __init__(self, statepoint_name, model, ce_model): + super().__init__(statepoint_name, model) + self._ce_model = ce_model + self._analog_uncovered = None + self._boot_uncovered = None + + def _run_openmc(self): + # Stage 1: random ray FW-CADIS solve producing weight_windows.h5 + super()._run_openmc() + + # Stage 2 (negative control): the analog material_wise solve cannot + # reach the steel pocket, so its MGXS must come out zero. + analog = copy.deepcopy(self._ce_model) + analog.convert_to_multigroup( + method='material_wise', groups=GROUPS, nparticles=1, + overwrite_mgxs_library=True, mgxs_path='mgxs_analog.h5') + _, self._analog_uncovered = mgxs_coverage('mgxs_analog.h5') + + # Stage 3: the same solve bootstrapped with the stage 1 weight windows + # reaches the pocket and produces a complete library. + boot = copy.deepcopy(self._ce_model) + boot.convert_to_multigroup( + method='material_wise', groups=GROUPS, nparticles=1, + overwrite_mgxs_library=True, mgxs_path='mgxs_boot.h5', + weight_windows_file='weight_windows.h5') + _, self._boot_uncovered = mgxs_coverage('mgxs_boot.h5') + + # Hard semantic asserts (rather than reference comparisons) so that a + # broken feature can never be baked into the reference files by an + # --update run. + assert self._analog_uncovered == ['Steel'] + assert self._boot_uncovered == [] + + def _get_results(self): + """Digest the weight window bounds, the coverage verdicts, and the + analog MGXS data.""" + # Weight window bounds from the random ray FW-CADIS generation + ww = openmc.WeightWindowsList.from_hdf5()[0] + lines = [str(ww.mesh), 'Lower Bounds'] + lines += [f'{x:.2e}' for x in ww.lower_ww_bounds.flatten()] + lines.append('Upper Bounds') + lines += [f'{x:.2e}' for x in ww.upper_ww_bounds.flatten()] + + # Material coverage verdicts from the two material_wise solves + lines.append(f'analog uncovered: {sorted(self._analog_uncovered)}') + lines.append(f'bootstrap uncovered: {sorted(self._boot_uncovered)}') + + # Analog MGXS data (the bootstrapped library is excluded; see class + # docstring) + library = openmc.MGXSLibrary.from_hdf5('mgxs_analog.h5') + for xsdata in sorted(library.xsdatas, key=lambda x: x.name): + lines.append(f'analog MGXS {xsdata.name}') + for label, array in (('total', xsdata.total[0]), + ('absorption', xsdata.absorption[0]), + ('scatter', xsdata.scatter_matrix[0])): + lines.append(label) + lines += [f'{v:.6e}' for v in + np.asarray(array, dtype=float).flatten()] + return '\n'.join(lines) + '\n' + + def _cleanup(self): + super()._cleanup() + for f in ('weight_windows.h5', 'mgxs_slab.h5', 'mgxs_analog.h5', + 'mgxs_boot.h5'): + if os.path.exists(f): + os.remove(f) + + +def test_random_ray_auto_convert_bootstrap(): + """Bootstrapped material-wise MGXS generation with weight windows. + + The example model holds a steel pocket behind ~1 m of concrete, which a + ~200 history analog solve reaches with probability well below 1%. The + "material_wise" MGXS method therefore produces zero cross sections for the + steel unless the continuous energy solve applies weight windows, supplied + via the weight_windows_file argument from a stochastic_slab + random ray + FW-CADIS generation pass. + """ + openmc.reset_auto_ids() + model = sphere_with_shielded_pocket() + + # Inherited by every continuous energy solve below. Weight window + # checkpoints assist the bootstrapped solve; they also propagate into the + # random ray weight window generation run, where they must have no effect + # on the rays (random ray generates weight windows but never applies + # them). + model.settings.weight_window_checkpoints = { + 'collision': True, 'surface': True} + model.settings.max_history_splits = 100_000 + + # Convert a copy to multigroup with the stochastic_slab method and set up + # the random ray FW-CADIS weight window generation run (stage 1). mg_model = copy.deepcopy(model) mg_model.convert_to_multigroup( method='stochastic_slab', groups=GROUPS, nparticles=50, @@ -66,54 +176,6 @@ def make_weight_windows(model): mg_model.settings.weight_window_generators = openmc.WeightWindowGenerator( method='fw_cadis', mesh=mesh, max_realizations=20, energy_bounds=openmc.mgxs.EnergyGroups(GROUPS).group_edges) - mg_model.run() - return 'weight_windows.h5' - - -def test_random_ray_auto_convert_bootstrap(tmp_path): - """Bootstrapped material-wise MGXS generation with weight windows. - - The example model holds a steel pocket behind ~1 m of concrete, which a - ~200 history analog solve reaches with probability well below 1%. The - "material_wise" MGXS method therefore produces zero cross sections for the - steel unless the continuous energy solve applies weight windows, supplied - here via the weight_windows_file argument from a stochastic_slab + random - ray FW-CADIS generation pass (the analog stage doubles as the negative - control). - """ - with change_directory(tmp_path): - openmc.reset_auto_ids() - model = sphere_with_shielded_pocket() - - # Inherited by every continuous energy solve below. Weight window - # checkpoints assist the bootstrapped solve; they also propagate into - # the random ray weight window generation run, where they must have no - # effect on the rays (random ray generates weight windows but must - # never apply them). - model.settings.weight_window_checkpoints = { - 'collision': True, 'surface': True} - model.settings.max_history_splits = 100_000 - - # Stage 1: cheap global weight windows (stochastic_slab -> FW-CADIS) - ww_file = make_weight_windows(model) - - # Stage 2 (negative control): the analog material_wise solve cannot - # reach the steel pocket, so its MGXS must come out zero. - analog = copy.deepcopy(model) - analog.convert_to_multigroup( - method='material_wise', groups=GROUPS, nparticles=1, - overwrite_mgxs_library=True, mgxs_path='mgxs_analog.h5') - covered, uncovered = mgxs_coverage('mgxs_analog.h5') - assert uncovered == ['Steel'] - assert sorted(covered) == ['Air', 'Concrete'] - # Stage 3: the same solve bootstrapped with weight windows reaches the - # pocket and produces a complete library. - boot = copy.deepcopy(model) - boot.convert_to_multigroup( - method='material_wise', groups=GROUPS, nparticles=1, - overwrite_mgxs_library=True, mgxs_path='mgxs_boot.h5', - weight_windows_file=ww_file) - covered, uncovered = mgxs_coverage('mgxs_boot.h5') - assert uncovered == [] - assert sorted(covered) == ['Air', 'Concrete', 'Steel'] + harness = MGXSBootstrapTestHarness('statepoint.20.h5', mg_model, model) + harness.main() From a3c64bd2bf07c1530d8da2796332b52e0bed9bd3 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 01:36:59 +0000 Subject: [PATCH 04/22] Make full bootstrap test chain bit-reproducible; use NNDC references Correct and strengthen the MGXS bootstrap regression test. Measurement showed the weight-window-split Monte Carlo solve IS reproducible across runs and thread counts given a bit-identical weight window file (<= 4e-16, i.e. tally summation ulps) -- the secondary particle sorting and PRNG stream control work as designed. The instability previously attributed to it actually originates upstream: the multithreaded random ray solve carries last-ulp lock-order jitter in the window bounds (~6e-16 run-to-run at 2 threads, bitwise zero serially), and weight window split/roulette decisions amplify even a one-ulp bound perturbation into order-unity tally changes (measured 78%), because particle weights are set from the bound values themselves and comparisons can sit exactly on decision boundaries. The window-producing stages (stochastic_slab MGXS and the random ray FW-CADIS solve) are therefore pinned to a single thread, making the entire workflow bit-reproducible at any ambient thread count. This allows the bootstrapped MGXS library -- and with it the weight window application machinery -- to be reference-compared as well: the results digest now contains the slab, analog, and bootstrapped MGXS libraries plus the weight window bounds. Reference files regenerated against the official NNDC HDF5 data library (matching the regression suite requirement) with OPENMC_ENABLE_STRICT_FP=on at OMP_NUM_THREADS=2; the test passes unchanged at 1, 2, and 4 threads (~10 s serial). Analog pocket-reach probability re-measured with NNDC data: 4.6e-5, i.e. <1% chance per seed of a false analog cover. Co-Authored-By: Claude Fable 5 --- .../results_true.dat | 35394 ++++++++-------- .../random_ray_auto_convert_bootstrap/test.py | 117 +- 2 files changed, 17858 insertions(+), 17653 deletions(-) diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat index f795a3e27e6..407a3d7c87c 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat @@ -1,17648 +1,145 @@ -RegularMesh - ID = 1 - Name = - Dimensions = 3 - Voxels = [13 13 13] - Lower left = [-12. -66. -66.] - Upper Right = [np.float64(120.0), np.float64(66.0), np.float64(66.0)] - Width = [10.15384615 10.15384615 10.15384615] - -Lower Bounds --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 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-7.86e-04 -1.28e-03 -1.89e-03 -1.42e-03 -6.48e-04 -9.49e-04 -1.29e-03 -8.49e-04 -1.17e-03 -1.54e-03 -1.84e-03 -9.48e-04 -2.15e-03 -2.68e-03 -2.95e-03 -1.23e-03 -3.07e-03 -3.81e-03 -4.07e-03 -1.45e-03 -2.46e-03 -3.14e-03 -3.47e-03 -1.36e-03 -1.44e-03 -1.93e-03 -2.31e-03 -1.16e-03 -8.18e-04 -1.20e-03 -1.59e-03 -9.59e-04 -9.86e-04 -1.56e-03 -2.23e-03 -1.50e-03 -4.75e-02 -7.36e-02 -1.04e-01 -6.57e-02 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -1.23e-03 -2.09e-03 -3.22e-03 -2.46e-03 -5.18e-04 -8.13e-04 -1.18e-03 -8.62e-04 -7.43e-04 -1.06e-03 -1.41e-03 -9.29e-04 -1.26e-03 -1.69e-03 -2.05e-03 -1.07e-03 -1.63e-03 -2.13e-03 -2.49e-03 -1.15e-03 -1.28e-03 -1.70e-03 -2.02e-03 -9.90e-04 -9.14e-04 -1.29e-03 -1.66e-03 -9.82e-04 -6.93e-04 -1.07e-03 -1.50e-03 -1.01e-03 -1.50e-03 -2.56e-03 -3.85e-03 -2.81e-03 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -1.47e-02 -2.52e-02 -3.84e-02 -2.94e-02 -6.56e-04 -1.10e-03 -1.68e-03 -1.32e-03 -6.00e-04 -9.24e-04 -1.33e-03 -9.86e-04 -8.09e-04 -1.21e-03 -1.68e-03 -1.13e-03 -7.93e-04 -1.14e-03 -1.51e-03 -9.16e-04 -8.61e-04 -1.27e-03 -1.71e-03 -1.05e-03 -6.43e-04 -1.01e-03 -1.43e-03 -9.51e-04 -1.07e-03 -1.78e-03 -2.65e-03 -1.91e-03 -1.34e-02 -2.42e-02 -3.92e-02 -3.15e-02 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -1.11e-02 -2.24e-02 -3.71e-02 -2.97e-02 -1.37e-03 -2.32e-03 -3.57e-03 -2.72e-03 -7.44e-04 -1.20e-03 -1.75e-03 -1.22e-03 -8.65e-04 -1.40e-03 -2.04e-03 -1.40e-03 -9.03e-04 -1.45e-03 -2.09e-03 -1.42e-03 -9.67e-04 -1.57e-03 -2.35e-03 -1.69e-03 -2.42e-02 -4.19e-02 -6.49e-02 -4.90e-02 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -4.45e-02 -7.09e-02 -1.01e-01 -6.87e-02 -2.73e-02 -4.85e-02 -7.45e-02 -5.23e-02 -1.38e-01 -2.15e-01 -2.94e-01 -1.92e-01 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -2.42e-03 -4.37e-03 -7.23e-03 -6.35e-03 -3.69e-04 -6.54e-04 -1.02e-03 -7.91e-04 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-4.28e-04 -3.42e-04 -8.36e-05 -1.29e-04 -1.86e-04 -1.41e-04 -1.32e-04 -1.79e-04 -2.28e-04 -1.44e-04 -2.60e-04 -3.25e-04 -3.73e-04 -1.89e-04 -5.29e-04 -6.27e-04 -6.65e-04 -2.77e-04 -8.00e-04 -9.23e-04 -9.33e-04 -3.44e-04 -7.78e-04 -9.16e-04 -9.53e-04 -3.70e-04 -3.81e-04 -4.64e-04 -5.14e-04 -2.43e-04 -1.97e-04 -2.64e-04 -3.30e-04 -2.02e-04 -1.24e-04 -1.86e-04 -2.61e-04 -1.85e-04 -2.55e-04 -4.37e-04 -6.70e-04 -4.83e-04 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -1.56e-04 -2.62e-04 -4.07e-04 -3.33e-04 -9.58e-05 -1.42e-04 -2.01e-04 -1.55e-04 -1.78e-04 -2.34e-04 -2.88e-04 -1.74e-04 -3.24e-04 -3.90e-04 -4.25e-04 -1.95e-04 -7.27e-04 -8.31e-04 -8.29e-04 -2.99e-04 -1.07e-03 -1.21e-03 -1.17e-03 -3.75e-04 -8.92e-04 -1.02e-03 -1.01e-03 -3.49e-04 -4.49e-04 -5.41e-04 -5.89e-04 -2.63e-04 -2.39e-04 -3.17e-04 -3.92e-04 -2.29e-04 -1.43e-04 -2.14e-04 -2.98e-04 -2.11e-04 -1.89e-04 -3.25e-04 -5.02e-04 -3.79e-04 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -1.41e-04 -2.42e-04 -3.78e-04 -3.04e-04 -8.90e-05 -1.36e-04 -1.97e-04 -1.55e-04 -1.71e-04 -2.33e-04 -3.01e-04 -1.94e-04 -2.82e-04 -3.48e-04 -3.95e-04 -1.99e-04 -5.22e-04 -6.06e-04 -6.23e-04 -2.45e-04 -7.53e-04 -8.60e-04 -8.55e-04 -3.03e-04 -6.08e-04 -7.01e-04 -7.07e-04 -2.60e-04 -3.62e-04 -4.42e-04 -4.87e-04 -2.26e-04 -1.81e-04 -2.42e-04 -3.00e-04 -1.74e-04 -1.23e-04 -1.86e-04 -2.66e-04 -1.95e-04 -2.06e-04 -3.56e-04 -5.57e-04 -4.24e-04 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -2.49e-04 -4.58e-04 -7.49e-04 -6.17e-04 -7.84e-05 -1.30e-04 -2.03e-04 -1.74e-04 -1.07e-04 -1.55e-04 -2.15e-04 -1.57e-04 -1.69e-04 -2.24e-04 -2.80e-04 -1.74e-04 -2.97e-04 -3.69e-04 -4.22e-04 -2.14e-04 -3.92e-04 -4.77e-04 -5.26e-04 -2.40e-04 -3.31e-04 -4.08e-04 -4.59e-04 -2.22e-04 -2.16e-04 -2.79e-04 -3.35e-04 -1.88e-04 -1.38e-04 -1.96e-04 -2.62e-04 -1.76e-04 -9.46e-05 -1.53e-04 -2.30e-04 -1.78e-04 -4.24e-04 -7.55e-04 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-1.41e-03 -2.70e-03 -4.40e-03 -3.38e-03 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -2.32e-03 -4.12e-03 -6.49e-03 -5.17e-03 -2.07e-04 -3.85e-04 -6.32e-04 -5.17e-04 -1.65e-04 -2.90e-04 -4.61e-04 -3.66e-04 -2.14e-04 -3.72e-04 -5.90e-04 -4.64e-04 -2.54e-04 -4.40e-04 -6.77e-04 -5.08e-04 -3.55e-04 -6.42e-04 -1.03e-03 -7.74e-04 -2.18e-03 -4.01e-03 -6.63e-03 -5.57e-03 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 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--1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -1.04e-06 -2.84e-06 -6.92e-06 -1.01e-05 -1.76e-07 -4.66e-07 -1.13e-06 -1.71e-06 -1.14e-07 -2.99e-07 -7.30e-07 -1.15e-06 -1.76e-07 -4.58e-07 -1.09e-06 -1.61e-06 -1.71e-06 -4.45e-06 -1.07e-05 -1.57e-05 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 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--1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -3.22e-06 -8.61e-06 -2.08e-05 -2.96e-05 -1.02e-06 -2.79e-06 -6.76e-06 -9.77e-06 -2.90e-06 -7.69e-06 -1.88e-05 -2.81e-05 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -5.97e-07 -1.80e-06 -4.64e-06 -6.72e-06 -3.08e-08 -9.53e-08 -2.54e-07 -3.89e-07 -1.09e-08 -3.16e-08 -8.37e-08 -1.37e-07 -9.84e-09 -2.76e-08 -7.17e-08 -1.15e-07 -1.30e-08 -3.60e-08 -9.23e-08 -1.47e-07 -2.73e-08 -8.13e-08 -2.13e-07 -3.28e-07 -4.05e-07 -1.25e-06 -3.30e-06 -5.07e-06 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -5.99e-07 -1.64e-06 -4.00e-06 -5.82e-06 -1.46e-08 -4.43e-08 -1.20e-07 -1.95e-07 -4.95e-09 -1.31e-08 -3.37e-08 -5.68e-08 -3.55e-09 -9.04e-09 -2.28e-08 -3.90e-08 -4.12e-09 -1.00e-08 -2.42e-08 -4.02e-08 -4.18e-09 -1.04e-08 -2.55e-08 -4.25e-08 -5.63e-09 -1.52e-08 -3.92e-08 -6.53e-08 -1.66e-08 -4.84e-08 -1.29e-07 -2.12e-07 -7.96e-07 -2.37e-06 -6.08e-06 -9.29e-06 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -2.69e-08 -8.19e-08 -2.21e-07 -3.56e-07 -4.48e-09 -1.20e-08 -3.13e-08 -5.36e-08 -2.84e-09 -6.91e-09 -1.69e-08 -2.81e-08 -2.56e-09 -5.87e-09 -1.37e-08 -2.25e-08 -3.04e-09 -6.66e-09 -1.51e-08 -2.42e-08 -3.18e-09 -7.06e-09 -1.62e-08 -2.62e-08 -3.51e-09 -8.33e-09 -1.99e-08 -3.26e-08 -5.24e-09 -1.39e-08 -3.55e-08 -5.86e-08 -3.79e-08 -1.12e-07 -2.87e-07 -4.35e-07 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -4.84e-06 -1.49e-05 -7.90e-05 --1.00e+00 -8.77e-09 -2.55e-08 -6.82e-08 -1.13e-07 -3.00e-09 -7.60e-09 -1.91e-08 -3.23e-08 -2.78e-09 -6.26e-09 -1.45e-08 -2.34e-08 -2.74e-09 -5.81e-09 -1.29e-08 -2.00e-08 -2.80e-09 -5.93e-09 -1.32e-08 -2.06e-08 -2.75e-09 -5.85e-09 -1.31e-08 -2.08e-08 -3.49e-09 -7.73e-09 -1.76e-08 -2.81e-08 -3.96e-09 -9.90e-09 -2.43e-08 -3.95e-08 -1.44e-08 -4.02e-08 -1.03e-07 -1.61e-07 -7.71e-06 -1.96e-05 -4.72e-05 -6.93e-05 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -7.20e-07 -1.82e-06 -4.25e-06 -6.08e-06 -8.30e-09 -2.35e-08 -6.20e-08 -1.02e-07 -2.62e-09 -6.57e-09 -1.64e-08 -2.80e-08 -2.24e-09 -5.03e-09 -1.17e-08 -1.89e-08 -2.47e-09 -5.37e-09 -1.22e-08 -1.92e-08 -2.16e-09 -5.55e-09 -1.33e-08 -1.93e-08 -2.09e-09 -4.61e-09 -1.06e-08 -1.67e-08 -2.84e-09 -6.33e-09 -1.45e-08 -2.28e-08 -3.34e-09 -8.32e-09 -2.05e-08 -3.37e-08 -1.01e-08 -2.82e-08 -7.30e-08 -1.17e-07 -7.82e-07 -2.15e-06 -5.32e-06 -7.94e-06 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -4.13e-06 -9.00e-06 -2.07e-05 -3.32e-05 -8.15e-09 -2.38e-08 -6.31e-08 -1.03e-07 -2.78e-09 -6.95e-09 -1.73e-08 -2.98e-08 -2.44e-09 -5.49e-09 -1.27e-08 -2.08e-08 -2.23e-09 -4.75e-09 -1.07e-08 -1.70e-08 -2.10e-09 -4.55e-09 -1.04e-08 -1.64e-08 -2.97e-09 -6.23e-09 -1.38e-08 -2.17e-08 -3.20e-09 -7.13e-09 -1.63e-08 -2.57e-08 -4.11e-09 -1.04e-08 -2.57e-08 -4.25e-08 -1.24e-08 -3.53e-08 -9.18e-08 -1.46e-07 -4.41e-06 -1.02e-05 -2.38e-05 -3.64e-05 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -1.96e-08 -6.00e-08 -1.62e-07 -2.61e-07 -3.28e-09 -8.97e-09 -2.34e-08 -3.97e-08 -2.60e-09 -6.24e-09 -1.51e-08 -2.51e-08 -2.38e-09 -5.38e-09 -1.26e-08 -2.07e-08 -2.50e-09 -5.54e-09 -1.28e-08 -2.08e-08 -2.90e-09 -6.61e-09 -1.55e-08 -2.53e-08 -3.55e-09 -8.48e-09 -2.04e-08 -3.34e-08 -5.06e-09 -1.35e-08 -3.45e-08 -5.65e-08 -2.47e-08 -7.38e-08 -1.94e-07 -2.99e-07 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -6.18e-07 -1.62e-06 -3.82e-06 -5.49e-06 -1.23e-08 -3.69e-08 -9.88e-08 -1.58e-07 -3.99e-09 -1.07e-08 -2.76e-08 -4.55e-08 -3.62e-09 -9.20e-09 -2.32e-08 -3.93e-08 -3.41e-09 -8.34e-09 -2.06e-08 -3.53e-08 -3.11e-09 -8.06e-09 -2.05e-08 -3.50e-08 -4.87e-09 -1.30e-08 -3.32e-08 -5.54e-08 -1.55e-08 -4.55e-08 -1.21e-07 -1.93e-07 -1.33e-06 -3.62e-06 -9.26e-06 -1.43e-05 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -3.56e-07 -1.10e-06 -2.85e-06 -4.04e-06 -2.37e-08 -7.10e-08 -1.87e-07 -2.85e-07 -1.13e-08 -3.27e-08 -8.65e-08 -1.40e-07 -1.05e-08 -2.95e-08 -7.73e-08 -1.29e-07 -1.06e-08 -3.08e-08 -8.20e-08 -1.35e-07 -3.33e-08 -9.72e-08 -2.54e-07 -3.99e-07 -5.84e-07 -1.83e-06 -4.83e-06 -6.73e-06 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 -6.36e-06 -1.55e-05 -3.79e-05 -6.24e-05 -9.15e-07 -2.55e-06 -6.42e-06 -9.76e-06 -5.45e-06 -1.16e-05 -2.55e-05 -3.76e-05 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 --1.00e+00 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--5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 -7.34e-07 -2.18e-06 -5.58e-06 -8.51e-06 -5.27e-08 -1.58e-07 -4.18e-07 -6.65e-07 -2.23e-08 -6.45e-08 -1.72e-07 -2.87e-07 -1.88e-08 -5.29e-08 -1.40e-07 -2.39e-07 -2.60e-08 -7.32e-08 -1.93e-07 -3.25e-07 -6.71e-08 -2.04e-07 -5.44e-07 -8.62e-07 -9.41e-07 -2.67e-06 -6.70e-06 -1.00e-05 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 -7.19e-07 -2.10e-06 -5.34e-06 -8.11e-06 -1.20e-07 -3.81e-07 -1.04e-06 -1.66e-06 -9.89e-08 -2.93e-07 -7.68e-07 -1.21e-06 -1.37e-07 -4.06e-07 -1.06e-06 -1.64e-06 -8.08e-07 -2.26e-06 -5.58e-06 -8.12e-06 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 --5.00e+00 analog uncovered: ['Steel'] bootstrap uncovered: [] -analog MGXS Air +slab MGXS Air total -8.550846e-05 -2.238254e-04 -4.232820e-04 -5.041538e-04 +1.006588e-04 +2.157039e-04 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+2.520070e-01 +1.716295e-03 +0.000000e+00 +0.000000e+00 +0.000000e+00 +9.005149e-01 +3.316938e-03 +0.000000e+00 +0.000000e+00 +2.764798e-03 +1.022160e+00 +analog MGXS Air total -2.148695e-01 -3.881716e-01 -4.913592e-01 -6.086109e-01 +8.528713e-05 +2.128672e-04 +4.237985e-04 +5.212503e-04 absorption -5.991037e-05 -2.940632e-05 -3.647754e-04 -7.805623e-03 +2.601857e-06 +7.800371e-07 +1.072411e-06 +6.525493e-05 scatter -1.761235e-01 -3.843158e-02 -2.545138e-04 0.000000e+00 0.000000e+00 -3.570804e-01 -3.106182e-02 0.000000e+00 0.000000e+00 0.000000e+00 -4.600706e-01 -3.092382e-02 +2.120872e-04 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +analog MGXS Concrete +total +2.161062e-01 +3.983530e-01 +4.967569e-01 +6.154710e-01 +absorption +6.541238e-05 +3.389577e-05 +3.812449e-04 +7.638373e-03 +scatter +1.763121e-01 +3.946898e-02 +2.596644e-04 +0.000000e+00 +0.000000e+00 +3.657695e-01 +3.254962e-02 0.000000e+00 0.000000e+00 0.000000e+00 -6.008053e-01 +4.656585e-01 +3.071712e-02 +0.000000e+00 +0.000000e+00 +1.028482e-04 +6.077298e-01 analog MGXS Steel total 0.000000e+00 @@ -17671,3 +168,17674 @@ scatter 0.000000e+00 0.000000e+00 0.000000e+00 +bootstrap MGXS Air +total +8.504923e-05 +2.175072e-04 +4.522891e-04 +5.190947e-04 +absorption +2.460801e-06 +3.035340e-07 +1.011884e-05 +6.395916e-05 +scatter +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +0.000000e+00 +bootstrap MGXS Concrete +total +2.147906e-01 +4.023596e-01 +4.964064e-01 +6.191684e-01 +absorption +6.169080e-05 +2.811634e-05 +3.500395e-04 +7.768606e-03 +scatter +1.817256e-01 +3.296138e-02 +4.193531e-05 +0.000000e+00 +0.000000e+00 +3.675834e-01 +3.474814e-02 +0.000000e+00 +0.000000e+00 +0.000000e+00 +4.659730e-01 +3.008336e-02 +0.000000e+00 +0.000000e+00 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a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py index e5fd3fb1ed3..b21a6d50fd3 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py @@ -1,16 +1,40 @@ import copy import os +from contextlib import contextmanager import numpy as np import openmc from openmc.examples import sphere_with_shielded_pocket +from tests.regression_tests import config from tests.testing_harness import TolerantPyAPITestHarness GROUPS = 'CASMO-4' +@contextmanager +def single_thread(): + """Pin subprocess OpenMC runs to a single thread. + + The stages that produce the weight windows must be bit-reproducible: + multithreaded tally and random ray flux accumulations carry last-ulp + ordering jitter, and the weight window split/roulette decisions downstream + amplify even one-ulp window perturbations into order-unity tally changes + (particle weights are set from the window bounds, so weight-window + comparisons can sit exactly on decision boundaries). + """ + old = os.environ.get('OMP_NUM_THREADS') + os.environ['OMP_NUM_THREADS'] = '1' + try: + yield + finally: + if old is None: + del os.environ['OMP_NUM_THREADS'] + else: + os.environ['OMP_NUM_THREADS'] = old + + def mgxs_coverage(path): """Return (covered, uncovered) material name lists for an MGXS library. @@ -37,15 +61,15 @@ class MGXSBootstrapTestHarness(TolerantPyAPITestHarness): (stage 3) material-wise MGXS generation solves are run from the original continuous energy model. - The compared results contain the generated weight window bounds and the - analog MGXS data, both of which are reproducible across runs and thread - counts, so they detect subtle changes anywhere in the random ray solver, - the weight window generation machinery, or the MGXS generation chain. The - bootstrapped MGXS values are deliberately NOT value-compared: a Monte - Carlo solve with weight window splitting is not reproducible run-to-run - when multithreaded (the splitting order perturbs the tracking), so only - its binary material coverage -- which is the feature guarantee -- is - asserted. + The compared results contain the stochastic slab, analog, and bootstrapped + MGXS libraries along with the generated weight window bounds, so subtle + changes anywhere in the chain -- the MGXS generation methods, the random + ray solver, the weight window generation, or the weight window application + (splitting/roulette) in the Monte Carlo solve -- are detected. The whole + chain is reproducible across runs and thread counts because the stages + that produce the weight windows are pinned to a single thread (see + single_thread); given bit-identical windows, the weight-window-split Monte + Carlo solve is itself reproducible to the last ulp across thread counts. """ def __init__(self, statepoint_name, model, ce_model): @@ -55,8 +79,15 @@ def __init__(self, statepoint_name, model, ce_model): self._boot_uncovered = None def _run_openmc(self): - # Stage 1: random ray FW-CADIS solve producing weight_windows.h5 - super()._run_openmc() + # Stage 1: random ray FW-CADIS solve producing weight_windows.h5, + # single-threaded so the window bounds are bit-reproducible. + if config['mpi']: + mpi_args = [config['mpiexec'], '-n', config['mpi_np']] + openmc.run(threads=1, openmc_exec=config['exe'], + mpi_args=mpi_args, event_based=config['event']) + else: + openmc.run(threads=1, openmc_exec=config['exe'], + event_based=config['event']) # Stage 2 (negative control): the analog material_wise solve cannot # reach the steel pocket, so its MGXS must come out zero. @@ -75,37 +106,40 @@ def _run_openmc(self): weight_windows_file='weight_windows.h5') _, self._boot_uncovered = mgxs_coverage('mgxs_boot.h5') - # Hard semantic asserts (rather than reference comparisons) so that a - # broken feature can never be baked into the reference files by an - # --update run. + # Hard semantic asserts (in addition to the reference comparison) so + # that a broken feature can never be baked into the reference files by + # an --update run. assert self._analog_uncovered == ['Steel'] assert self._boot_uncovered == [] - def _get_results(self): - """Digest the weight window bounds, the coverage verdicts, and the - analog MGXS data.""" - # Weight window bounds from the random ray FW-CADIS generation - ww = openmc.WeightWindowsList.from_hdf5()[0] - lines = [str(ww.mesh), 'Lower Bounds'] - lines += [f'{x:.2e}' for x in ww.lower_ww_bounds.flatten()] - lines.append('Upper Bounds') - lines += [f'{x:.2e}' for x in ww.upper_ww_bounds.flatten()] - - # Material coverage verdicts from the two material_wise solves - lines.append(f'analog uncovered: {sorted(self._analog_uncovered)}') - lines.append(f'bootstrap uncovered: {sorted(self._boot_uncovered)}') - - # Analog MGXS data (the bootstrapped library is excluded; see class - # docstring) - library = openmc.MGXSLibrary.from_hdf5('mgxs_analog.h5') + def _mgxs_lines(self, label, path): + lines = [] + library = openmc.MGXSLibrary.from_hdf5(path) for xsdata in sorted(library.xsdatas, key=lambda x: x.name): - lines.append(f'analog MGXS {xsdata.name}') - for label, array in (('total', xsdata.total[0]), - ('absorption', xsdata.absorption[0]), - ('scatter', xsdata.scatter_matrix[0])): - lines.append(label) + lines.append(f'{label} MGXS {xsdata.name}') + for name, array in (('total', xsdata.total[0]), + ('absorption', xsdata.absorption[0]), + ('scatter', xsdata.scatter_matrix[0])): + lines.append(name) lines += [f'{v:.6e}' for v in np.asarray(array, dtype=float).flatten()] + return lines + + def _get_results(self): + """Digest the coverage verdicts, the three MGXS libraries, and the + weight window bounds.""" + lines = [f'analog uncovered: {sorted(self._analog_uncovered)}', + f'bootstrap uncovered: {sorted(self._boot_uncovered)}'] + lines += self._mgxs_lines('slab', 'mgxs_slab.h5') + lines += self._mgxs_lines('analog', 'mgxs_analog.h5') + lines += self._mgxs_lines('bootstrap', 'mgxs_boot.h5') + + ww = openmc.WeightWindowsList.from_hdf5()[0] + lines.append(str(ww.mesh)) + lines.append('Lower Bounds') + lines += [f'{x:.6e}' for x in ww.lower_ww_bounds.flatten()] + lines.append('Upper Bounds') + lines += [f'{x:.6e}' for x in ww.upper_ww_bounds.flatten()] return '\n'.join(lines) + '\n' def _cleanup(self): @@ -139,11 +173,14 @@ def test_random_ray_auto_convert_bootstrap(): model.settings.max_history_splits = 100_000 # Convert a copy to multigroup with the stochastic_slab method and set up - # the random ray FW-CADIS weight window generation run (stage 1). + # the random ray FW-CADIS weight window generation run (stage 1). The slab + # solve feeds the weight windows, so it runs single-threaded to be + # bit-reproducible (see single_thread). mg_model = copy.deepcopy(model) - mg_model.convert_to_multigroup( - method='stochastic_slab', groups=GROUPS, nparticles=50, - overwrite_mgxs_library=True, mgxs_path='mgxs_slab.h5') + with single_thread(): + mg_model.convert_to_multigroup( + method='stochastic_slab', groups=GROUPS, nparticles=50, + overwrite_mgxs_library=True, mgxs_path='mgxs_slab.h5') mg_model.convert_to_random_ray() # Overlay a ~10 cm source region / weight window mesh on the geometry From d548bd213393c80b3ca767d5d12e6cb4a0b60b56 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 02:27:35 +0000 Subject: [PATCH 05/22] Add relative dead band to weight window comparisons Weight window roulette survivors are assigned weights derived from the window bounds themselves (survival_ratio x lower bound), and subsequent integer splitting can land a particle's weight exactly back on a bound value -- e.g. (3 x lower)/3 compared against lower. The split/roulette branch taken is then decided by the last ulp of the bound. Since weight window data carries ulp-level noise (for example from non-associative parallel reductions in the random ray or Monte Carlo solves that generated it), transport results were chaotically sensitive to bit-level differences in the weight window file: a one-ulp perturbation of the bounds was measured to change deep-tally results by 78%, because a single flipped decision changes a secondary generation count, which shifts the global track counter used to seed subsequent secondaries and decorrelates the remainder of the simulation. Comparing against the window with a small relative dead band (1e-9) removes the sensitivity structurally: the thresholds no longer coincide with the small-rational lattice of weights the algorithm produces, and a bound perturbation moves a pinned weight and its threshold together. The same one-ulp window perturbation now changes results by <1e-15. The band is statistically negligible (1e-9 of a window spanning a factor of several) and weight window games are unbiased regardless of threshold placement. Two regression test references regenerated for trajectory changes at former exact ties: weightwindows[False-local] (single value shift of ~2e-5) and the bootstrap test's MGXS digest. Co-Authored-By: Claude Fable 5 --- src/weight_windows.cpp | 17 ++++- .../results_true.dat | 68 +++++++++---------- .../weightwindows/local/results_true.dat | 2 +- 3 files changed, 50 insertions(+), 37 deletions(-) diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp index 95261c594c0..530c17b4b96 100644 --- a/src/weight_windows.cpp +++ b/src/weight_windows.cpp @@ -1008,9 +1008,22 @@ void apply_weight_window(Particle& p, WeightWindow weight_window) if (p.ww_factor() > 1.0) weight_window.scale(p.ww_factor()); + // The window comparisons use a small relative dead band. Roulette survivors + // are assigned weights derived from the window bounds themselves + // (survival_ratio * lower bound), and integer splitting can later land a + // particle's weight exactly back on a bound value, in which case the branch + // taken would be decided by the last ulp of the bound. Window data carries + // ulp-level noise (e.g., from non-associative parallel reductions in the + // solver that generated it), so without the dead band, transport results + // would be chaotically sensitive to bit-level differences in the weight + // window file. Weights within the band are treated as inside the window, + // which is statistically negligible; weight window games are unbiased + // regardless of where the thresholds sit. + constexpr double rel_tol = 1e-9; + // if particle's weight is above the weight window split until they are within // the window - if (weight > weight_window.upper_weight) { + if (weight > weight_window.upper_weight * (1.0 + rel_tol)) { // do not further split the particle if above the limit if (p.n_split() >= settings::max_history_splits) return; @@ -1029,7 +1042,7 @@ void apply_weight_window(Particle& p, WeightWindow weight_window) // remaining weight is applied to current particle p.wgt() = weight / n_split; - } else if (weight <= weight_window.lower_weight) { + } else if (weight < weight_window.lower_weight * (1.0 - rel_tol)) { // if the particle weight is below the window, play Russian roulette double weight_survive = std::min(weight * weight_window.max_split, weight_window.survival_weight); diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat index 407a3d7c87c..59341de1e4f 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat @@ -170,15 +170,15 @@ scatter 0.000000e+00 bootstrap MGXS Air total -8.504923e-05 -2.175072e-04 -4.522891e-04 -5.190947e-04 +8.724027e-05 +1.464060e-04 +4.398208e-04 +5.039999e-04 absorption -2.460801e-06 -3.035340e-07 -1.011884e-05 -6.395916e-05 +2.365919e-06 +4.192416e-07 +2.084335e-06 +5.367288e-05 scatter 0.000000e+00 0.000000e+00 @@ -198,60 +198,60 @@ scatter 0.000000e+00 bootstrap MGXS Concrete total -2.147906e-01 -4.023596e-01 -4.964064e-01 -6.191684e-01 +2.226028e-01 +3.863187e-01 +4.968395e-01 +6.207932e-01 absorption -6.169080e-05 -2.811634e-05 -3.500395e-04 -7.768606e-03 +6.495509e-05 +3.166652e-05 +3.496837e-04 +7.830984e-03 scatter -1.817256e-01 -3.296138e-02 -4.193531e-05 +1.818611e-01 +4.067136e-02 +5.349860e-06 0.000000e+00 0.000000e+00 -3.675834e-01 -3.474814e-02 +3.581029e-01 +2.818416e-02 0.000000e+00 0.000000e+00 0.000000e+00 -4.659730e-01 -3.008336e-02 +4.648415e-01 +3.164829e-02 0.000000e+00 0.000000e+00 -3.637909e-05 -6.113635e-01 +3.878251e-05 +6.129234e-01 bootstrap MGXS Steel total 0.000000e+00 -2.889369e-01 -6.746714e-01 -1.201179e+00 +0.000000e+00 +9.971554e-01 +1.201476e+00 absorption 0.000000e+00 -1.415599e-04 -2.754782e-03 -1.731877e-01 +0.000000e+00 +2.226276e-02 +1.735052e-01 scatter 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -2.887954e-01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -6.719166e-01 +0.000000e+00 +9.748926e-01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -1.027991e+00 +1.027971e+00 RegularMesh ID = 1 Name = diff --git a/tests/regression_tests/weightwindows/local/results_true.dat b/tests/regression_tests/weightwindows/local/results_true.dat index d3dfa119d84..ebff4edacbd 100644 --- a/tests/regression_tests/weightwindows/local/results_true.dat +++ b/tests/regression_tests/weightwindows/local/results_true.dat @@ -1 +1 @@ -a78972fe3c0dadfc256cfb139c5ca8c7b634738e1895ad2d6286ed5e2567c6dc518e499363908e9058432684148a706a179a39110f703d5322491184a1d0c3e4 \ No newline at end of file +41d8ba482783b724c61bf058a67ff701109076ac460f0be69b3a33c7a9e3e2aa5b5773442d33561b71c69500a9535f1ffb0f5e81f6ce364288c5094bbbc0a292 \ No newline at end of file From 1e7659c309d4515b0c2b56d3ec66ea9dcae180bd Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 02:50:15 +0000 Subject: [PATCH 06/22] Harden weight window dead band; move tolerance to constants.h Move the weight window comparison tolerance to constants.h as WEIGHT_WINDOW_REL_TOL alongside its rationale, rather than burying it as a local in apply_weight_window(). Stabilize the split count as well: ceil(weight/upper) has tie points at every integer ratio, and the weight window arithmetic itself manufactures exact integer ratios through a second pathway -- a roulette survivor assigned weight * max_split (e.g. 10x a weight that sits on the bound lattice), later split in a cell whose upper bound is an exact multiple of the same lower bound (10/5 = 2). Computing ceil((1 - tol) * ratio), clamped to at least 2, makes ratios within the dead band of an integer round down consistently. With both protections, a weight window file perturbed at the ulp level now changes bootstrap-style deep-tally results by <1e-15 in both observed tie pathways (previously order unity). The bootstrap regression test no longer pins its window-generation stages to a single thread: all stages run at the ambient thread count and the test passes unchanged at 1, 2, and 4 threads against one set of reference files, so it now also guards the robustness of weight window transport against the ulp-level reduction noise inherent to multithreaded solves. Full weight window test suite passes without further reference changes. Co-Authored-By: Claude Fable 5 --- include/openmc/constants.h | 14 ++++ src/weight_windows.cpp | 35 +++++---- .../results_true.dat | 74 +++++++++---------- .../random_ray_auto_convert_bootstrap/test.py | 57 +++----------- 4 files changed, 80 insertions(+), 100 deletions(-) diff --git a/include/openmc/constants.h b/include/openmc/constants.h index 0b425a673dc..e91016cbcb3 100644 --- a/include/openmc/constants.h +++ b/include/openmc/constants.h @@ -75,6 +75,20 @@ constexpr double ZERO_FLUX_CUTOFF {1e-22}; // value will be converted to pure void. constexpr double MINIMUM_MACRO_XS {1e-6}; +// Relative dead band applied to weight window comparisons: particles split +// only above upper * (1 + tol) and roulette only below lower * (1 - tol). +// Roulette survivors are assigned weights derived from the window bounds +// themselves (survival_ratio * lower bound), and integer splitting can later +// land a particle's weight exactly back on a bound value, in which case the +// branch taken would be decided by the last ulp of the bound. Window data +// carries ulp-level noise (e.g., from non-associative parallel reductions in +// the solver that generated it), so without the dead band, transport results +// are chaotically sensitive to bit-level differences in the weight window +// file. Weights within the band are treated as inside the window, which is +// statistically negligible; weight window games are unbiased regardless of +// where the thresholds sit. +constexpr double WEIGHT_WINDOW_REL_TOL {1e-9}; + // ============================================================================ // MATH AND PHYSICAL CONSTANTS diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp index 530c17b4b96..d1d5d47d1f7 100644 --- a/src/weight_windows.cpp +++ b/src/weight_windows.cpp @@ -1008,27 +1008,25 @@ void apply_weight_window(Particle& p, WeightWindow weight_window) if (p.ww_factor() > 1.0) weight_window.scale(p.ww_factor()); - // The window comparisons use a small relative dead band. Roulette survivors - // are assigned weights derived from the window bounds themselves - // (survival_ratio * lower bound), and integer splitting can later land a - // particle's weight exactly back on a bound value, in which case the branch - // taken would be decided by the last ulp of the bound. Window data carries - // ulp-level noise (e.g., from non-associative parallel reductions in the - // solver that generated it), so without the dead band, transport results - // would be chaotically sensitive to bit-level differences in the weight - // window file. Weights within the band are treated as inside the window, - // which is statistically negligible; weight window games are unbiased - // regardless of where the thresholds sit. - constexpr double rel_tol = 1e-9; - - // if particle's weight is above the weight window split until they are within - // the window - if (weight > weight_window.upper_weight * (1.0 + rel_tol)) { + // if particle's weight is above the weight window split until they are + // within the window. The comparisons use a relative dead band so that the + // branch taken is insensitive to bit-level differences in the window bounds + // (see WEIGHT_WINDOW_REL_TOL). + if (weight > weight_window.upper_weight * (1.0 + WEIGHT_WINDOW_REL_TOL)) { // do not further split the particle if above the limit if (p.n_split() >= settings::max_history_splits) return; - double n_split = std::ceil(weight / weight_window.upper_weight); + // The (1 - WEIGHT_WINDOW_REL_TOL) factor keeps the number of splits + // stable when the weight-to-bound ratio sits within rounding of an exact + // integer, which the weight window arithmetic itself can produce (e.g., a + // roulette survivor assigned weight * max_split, later split against an + // upper bound that is an exact multiple of the same lower bound). Ratios + // within the dead band of an integer consistently round down; the lower + // clamp of 2 preserves the guarantee that the split branch always splits. + double n_split = std::max(2.0, + std::ceil((1.0 - WEIGHT_WINDOW_REL_TOL) * weight / + weight_window.upper_weight)); double max_split = weight_window.max_split; n_split = std::min(n_split, max_split); @@ -1042,7 +1040,8 @@ void apply_weight_window(Particle& p, WeightWindow weight_window) // remaining weight is applied to current particle p.wgt() = weight / n_split; - } else if (weight < weight_window.lower_weight * (1.0 - rel_tol)) { + } else if (weight < + weight_window.lower_weight * (1.0 - WEIGHT_WINDOW_REL_TOL)) { // if the particle weight is below the window, play Russian roulette double weight_survive = std::min(weight * weight_window.max_split, weight_window.survival_weight); diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat index 59341de1e4f..64763a04dd5 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat @@ -170,15 +170,15 @@ scatter 0.000000e+00 bootstrap MGXS Air total -8.724027e-05 -1.464060e-04 -4.398208e-04 -5.039999e-04 +8.484819e-05 +2.153687e-04 +4.326116e-04 +6.082841e-04 absorption -2.365919e-06 -4.192416e-07 -2.084335e-06 -5.367288e-05 +2.270999e-06 +1.315998e-06 +2.728345e-06 +1.171964e-04 scatter 0.000000e+00 0.000000e+00 @@ -198,60 +198,60 @@ scatter 0.000000e+00 bootstrap MGXS Concrete total -2.226028e-01 -3.863187e-01 -4.968395e-01 -6.207932e-01 +2.184813e-01 +3.881115e-01 +4.968307e-01 +6.187519e-01 absorption -6.495509e-05 -3.166652e-05 -3.496837e-04 -7.830984e-03 +6.388420e-05 +4.224327e-05 +3.878257e-04 +7.761298e-03 scatter -1.818611e-01 -4.067136e-02 -5.349860e-06 +1.834794e-01 +3.488999e-02 +4.810234e-05 0.000000e+00 0.000000e+00 -3.581029e-01 -2.818416e-02 +3.604934e-01 +2.757586e-02 0.000000e+00 0.000000e+00 0.000000e+00 -4.648415e-01 -3.164829e-02 +4.618831e-01 +3.455976e-02 0.000000e+00 0.000000e+00 -3.878251e-05 -6.129234e-01 +2.988990e-05 +6.109607e-01 bootstrap MGXS Steel total 0.000000e+00 -0.000000e+00 -9.971554e-01 -1.201476e+00 +2.673591e-01 +9.027134e-01 +1.199061e+00 absorption 0.000000e+00 -0.000000e+00 -2.226276e-02 -1.735052e-01 +6.390314e-05 +9.900648e-03 +1.711490e-01 scatter 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 +2.429956e-01 +2.429956e-02 0.000000e+00 0.000000e+00 0.000000e+00 +8.831434e-01 +9.669404e-03 0.000000e+00 0.000000e+00 -9.748926e-01 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -1.027971e+00 +2.617744e-04 +1.027650e+00 RegularMesh ID = 1 Name = diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py index b21a6d50fd3..8ba4c1f7f6b 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py @@ -1,40 +1,16 @@ import copy import os -from contextlib import contextmanager import numpy as np import openmc from openmc.examples import sphere_with_shielded_pocket -from tests.regression_tests import config from tests.testing_harness import TolerantPyAPITestHarness GROUPS = 'CASMO-4' -@contextmanager -def single_thread(): - """Pin subprocess OpenMC runs to a single thread. - - The stages that produce the weight windows must be bit-reproducible: - multithreaded tally and random ray flux accumulations carry last-ulp - ordering jitter, and the weight window split/roulette decisions downstream - amplify even one-ulp window perturbations into order-unity tally changes - (particle weights are set from the window bounds, so weight-window - comparisons can sit exactly on decision boundaries). - """ - old = os.environ.get('OMP_NUM_THREADS') - os.environ['OMP_NUM_THREADS'] = '1' - try: - yield - finally: - if old is None: - del os.environ['OMP_NUM_THREADS'] - else: - os.environ['OMP_NUM_THREADS'] = old - - def mgxs_coverage(path): """Return (covered, uncovered) material name lists for an MGXS library. @@ -65,11 +41,12 @@ class MGXSBootstrapTestHarness(TolerantPyAPITestHarness): MGXS libraries along with the generated weight window bounds, so subtle changes anywhere in the chain -- the MGXS generation methods, the random ray solver, the weight window generation, or the weight window application - (splitting/roulette) in the Monte Carlo solve -- are detected. The whole - chain is reproducible across runs and thread counts because the stages - that produce the weight windows are pinned to a single thread (see - single_thread); given bit-identical windows, the weight-window-split Monte - Carlo solve is itself reproducible to the last ulp across thread counts. + (splitting/roulette) in the Monte Carlo solve -- are detected. All stages + run at the ambient thread count: multithreaded reductions leave ulp-level + noise in the tallies and weight window bounds they produce, and transport + through the resulting weight windows is required to be robust to that + noise (see WEIGHT_WINDOW_REL_TOL), so this test also guards against any + regression of that robustness. """ def __init__(self, statepoint_name, model, ce_model): @@ -79,15 +56,8 @@ def __init__(self, statepoint_name, model, ce_model): self._boot_uncovered = None def _run_openmc(self): - # Stage 1: random ray FW-CADIS solve producing weight_windows.h5, - # single-threaded so the window bounds are bit-reproducible. - if config['mpi']: - mpi_args = [config['mpiexec'], '-n', config['mpi_np']] - openmc.run(threads=1, openmc_exec=config['exe'], - mpi_args=mpi_args, event_based=config['event']) - else: - openmc.run(threads=1, openmc_exec=config['exe'], - event_based=config['event']) + # Stage 1: random ray FW-CADIS solve producing weight_windows.h5 + super()._run_openmc() # Stage 2 (negative control): the analog material_wise solve cannot # reach the steel pocket, so its MGXS must come out zero. @@ -173,14 +143,11 @@ def test_random_ray_auto_convert_bootstrap(): model.settings.max_history_splits = 100_000 # Convert a copy to multigroup with the stochastic_slab method and set up - # the random ray FW-CADIS weight window generation run (stage 1). The slab - # solve feeds the weight windows, so it runs single-threaded to be - # bit-reproducible (see single_thread). + # the random ray FW-CADIS weight window generation run (stage 1). mg_model = copy.deepcopy(model) - with single_thread(): - mg_model.convert_to_multigroup( - method='stochastic_slab', groups=GROUPS, nparticles=50, - overwrite_mgxs_library=True, mgxs_path='mgxs_slab.h5') + mg_model.convert_to_multigroup( + method='stochastic_slab', groups=GROUPS, nparticles=50, + overwrite_mgxs_library=True, mgxs_path='mgxs_slab.h5') mg_model.convert_to_random_ray() # Overlay a ~10 cm source region / weight window mesh on the geometry From 524ac6c4f6be62c760320266e7cf0a9836e68105 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 03:40:54 +0000 Subject: [PATCH 07/22] Polish for review: versionadded, comment wording, clang-format Add the versionadded directive for the new weight_windows_file argument, tighten the WEIGHT_WINDOW_REL_TOL comment, and apply clang-format to the touched region of weight_windows.cpp. Co-Authored-By: Claude Fable 5 --- include/openmc/constants.h | 19 +++++++++---------- openmc/model/model.py | 2 ++ src/weight_windows.cpp | 6 +++--- 3 files changed, 14 insertions(+), 13 deletions(-) diff --git a/include/openmc/constants.h b/include/openmc/constants.h index e91016cbcb3..c49700f85fe 100644 --- a/include/openmc/constants.h +++ b/include/openmc/constants.h @@ -77,16 +77,15 @@ constexpr double MINIMUM_MACRO_XS {1e-6}; // Relative dead band applied to weight window comparisons: particles split // only above upper * (1 + tol) and roulette only below lower * (1 - tol). -// Roulette survivors are assigned weights derived from the window bounds -// themselves (survival_ratio * lower bound), and integer splitting can later -// land a particle's weight exactly back on a bound value, in which case the -// branch taken would be decided by the last ulp of the bound. Window data -// carries ulp-level noise (e.g., from non-associative parallel reductions in -// the solver that generated it), so without the dead band, transport results -// are chaotically sensitive to bit-level differences in the weight window -// file. Weights within the band are treated as inside the window, which is -// statistically negligible; weight window games are unbiased regardless of -// where the thresholds sit. +// Weight window arithmetic can land a particle's weight exactly back on a +// bound value (e.g., a roulette survivor is assigned survival_ratio * lower +// and a later split divides that back down), in which case the branch taken +// would be decided by the last ulp of the bound. Since window data carries +// ulp-level noise from non-associative parallel reductions in the solver that +// generated it, transport results would otherwise be chaotically sensitive to +// bit-level differences in the weight window file. Treating weights within +// the band as inside the window is statistically negligible, and weight +// window games are unbiased regardless of where the thresholds sit. constexpr double WEIGHT_WINDOW_REL_TOL {1e-9}; // ============================================================================ diff --git a/openmc/model/model.py b/openmc/model/model.py index 58cc5d12a8d..da578159e30 100644 --- a/openmc/model/model.py +++ b/openmc/model/model.py @@ -2660,6 +2660,8 @@ def convert_to_multigroup( This argument is only used with the ``"material_wise"`` method; a warning is issued and the argument is ignored for the ``"stochastic_slab"`` and ``"infinite_medium"`` methods. + + .. versionadded:: 0.15.4 """ if not isinstance(groups, openmc.mgxs.EnergyGroups): groups = openmc.mgxs.EnergyGroups(groups) diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp index d1d5d47d1f7..d34f07be94d 100644 --- a/src/weight_windows.cpp +++ b/src/weight_windows.cpp @@ -1024,9 +1024,9 @@ void apply_weight_window(Particle& p, WeightWindow weight_window) // upper bound that is an exact multiple of the same lower bound). Ratios // within the dead band of an integer consistently round down; the lower // clamp of 2 preserves the guarantee that the split branch always splits. - double n_split = std::max(2.0, - std::ceil((1.0 - WEIGHT_WINDOW_REL_TOL) * weight / - weight_window.upper_weight)); + double n_split = + std::max(2.0, std::ceil((1.0 - WEIGHT_WINDOW_REL_TOL) * weight / + weight_window.upper_weight)); double max_split = weight_window.max_split; n_split = std::min(n_split, max_split); From 4760553ab85d391fd30b94c92d2ecfb1fdec1bc7 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 04:07:02 +0000 Subject: [PATCH 08/22] Simplify bootstrap regression test to the standard harness pattern Restructure the bootstrap regression test to follow the random_ray_auto_convert pattern: generate weight windows (stochastic_slab MGXS + random ray FW-CADIS), bootstrap the material-wise library via weight_windows_file, then run a random ray solve with the bootstrapped library and compare a per-region, per-group flux tally through the standard statepoint digest. The pocket flux depends directly on the bootstrapped steel cross sections, and every upstream stage feeds the compared tallies, so the workflow is tested implicitly without custom result digests, coverage asserts, or an analog control run. The reference file shrinks from ~240 kB to ~300 bytes. The test still runs all stages at the ambient thread count and passes unchanged at 1, 2, and 4 threads against one set of references. Also express the example sphere's center and radius in terms of its x extents (surface at x = 120 flush with the pocket, x = -12 behind the source cavity) so the geometry parameters document themselves. Co-Authored-By: Claude Fable 5 --- openmc/examples.py | 16 +- .../inputs_true.dat | 37 +- .../results_true.dat | 17866 +--------------- .../random_ray_auto_convert_bootstrap/test.py | 218 +- 4 files changed, 124 insertions(+), 18013 deletions(-) diff --git a/openmc/examples.py b/openmc/examples.py index 21c1e29b22d..0e2636ec8d9 100644 --- a/openmc/examples.py +++ b/openmc/examples.py @@ -1674,10 +1674,16 @@ def sphere_with_shielded_pocket() -> openmc.Model: ########################################################################### # Geometry - # Concrete sphere, offset along +x so that the full shielding depth exists - # only between the source and the pocket. - r_sphere = 66.0 - x_offset = 54.0 + # The concrete sphere spans x = -12 to x = 120: the pocket sits flush with + # the outer surface at x = 120 behind ~92 cm of concrete, while only ~6 cm + # of concrete backs the source cavity on the -x side. Offsetting the sphere + # this way confines the deep shielding to the solid angle subtended by the + # pocket; the sphere center and radius below are just the midpoint and + # half-width of that span. + sphere_x_min = -12.0 + sphere_x_max = 120.0 + r_sphere = (sphere_x_max - sphere_x_min) / 2 + x_offset = (sphere_x_max + sphere_x_min) / 2 cavity_half_width = 6.0 pocket_inner_face = 98.0 pocket_half_width = 4.0 @@ -1690,7 +1696,7 @@ def sphere_with_shielded_pocket() -> openmc.Model: # The pocket box extends past the sphere surface and is clipped by it, so # the pocket sits flush with (and just inside) the outer surface. pocket_box = openmc.model.RectangularParallelepiped( - pocket_inner_face, x_offset + r_sphere + 1.0, + pocket_inner_face, sphere_x_max + 1.0, -pocket_half_width, pocket_half_width, -pocket_half_width, pocket_half_width) diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat index 28504e2083f..da151ac5fcf 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat @@ -1,7 +1,7 @@ - mgxs_slab.h5 + mgxs.h5 @@ -52,22 +52,6 @@ multi-group - - - 1 - 0.0 0.625 5530.0 821000.0 20000000.0 - neutron - 20 - 1 - true - fw_cadis - - - - 13 13 13 - -12.0 -66.0 -66.0 - 120.0 66.0 66.0 - true true @@ -92,5 +76,22 @@ halton hybrid + + 13 13 13 + -12.0 -66.0 -66.0 + 120.0 66.0 66.0 + - + + + 1 2 3 + + + 0.0 0.625 5530.0 821000.0 20000000.0 + + + 193 194 + flux + + + diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat index 64763a04dd5..b424079106e 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat @@ -1,17841 +1,25 @@ -analog uncovered: ['Steel'] -bootstrap uncovered: [] -slab MGXS Air -total -1.006588e-04 -2.157039e-04 -4.387840e-04 -4.982355e-04 -absorption -2.405201e-06 -7.819398e-07 -2.972640e-06 -4.770666e-05 -scatter -9.825362e-05 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -2.091133e-04 -5.808703e-06 -0.000000e+00 -0.000000e+00 -0.000000e+00 -4.317760e-04 -4.035290e-06 -0.000000e+00 -0.000000e+00 -0.000000e+00 -4.505289e-04 -slab MGXS Concrete -total -2.330032e-01 -3.951367e-01 -4.967633e-01 -5.800094e-01 -absorption -8.759485e-05 -4.430738e-05 -3.688441e-04 -5.991021e-03 -scatter -1.829541e-01 -4.980184e-02 -1.597188e-04 -0.000000e+00 -0.000000e+00 -3.609587e-01 -3.412994e-02 -3.687730e-06 -0.000000e+00 -0.000000e+00 -4.682847e-01 -2.810973e-02 -0.000000e+00 -0.000000e+00 -4.995644e-04 -5.735188e-01 -slab MGXS Steel -total -2.126805e-01 -2.540766e-01 -9.123532e-01 -1.145880e+00 -absorption -2.097507e-04 -3.532185e-04 -8.521363e-03 -1.209552e-01 -scatter -1.881414e-01 -2.426357e-02 -6.581439e-05 -0.000000e+00 -0.000000e+00 -2.520070e-01 -1.716295e-03 -0.000000e+00 -0.000000e+00 -0.000000e+00 -9.005149e-01 -3.316938e-03 -0.000000e+00 -0.000000e+00 -2.764798e-03 -1.022160e+00 -analog MGXS Air -total -8.528713e-05 -2.128672e-04 -4.237985e-04 -5.212503e-04 -absorption -2.601857e-06 -7.800371e-07 -1.072411e-06 -6.525493e-05 -scatter -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -2.120872e-04 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -analog MGXS Concrete -total -2.161062e-01 -3.983530e-01 -4.967569e-01 -6.154710e-01 -absorption -6.541238e-05 -3.389577e-05 -3.812449e-04 -7.638373e-03 -scatter -1.763121e-01 -3.946898e-02 -2.596644e-04 -0.000000e+00 -0.000000e+00 -3.657695e-01 -3.254962e-02 -0.000000e+00 -0.000000e+00 -0.000000e+00 -4.656585e-01 -3.071712e-02 -0.000000e+00 -0.000000e+00 -1.028482e-04 -6.077298e-01 -analog MGXS Steel -total -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -absorption -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -scatter -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -bootstrap MGXS Air -total -8.484819e-05 -2.153687e-04 -4.326116e-04 -6.082841e-04 -absorption -2.270999e-06 -1.315998e-06 -2.728345e-06 -1.171964e-04 -scatter -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -bootstrap MGXS Concrete -total -2.184813e-01 -3.881115e-01 -4.968307e-01 -6.187519e-01 -absorption -6.388420e-05 -4.224327e-05 -3.878257e-04 -7.761298e-03 -scatter -1.834794e-01 -3.488999e-02 -4.810234e-05 -0.000000e+00 -0.000000e+00 -3.604934e-01 -2.757586e-02 -0.000000e+00 -0.000000e+00 -0.000000e+00 -4.618831e-01 -3.455976e-02 -0.000000e+00 -0.000000e+00 -2.988990e-05 -6.109607e-01 -bootstrap MGXS Steel -total -0.000000e+00 -2.673591e-01 -9.027134e-01 -1.199061e+00 -absorption -0.000000e+00 -6.390314e-05 -9.900648e-03 -1.711490e-01 -scatter -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 -2.429956e-01 -2.429956e-02 -0.000000e+00 -0.000000e+00 -0.000000e+00 -8.831434e-01 -9.669404e-03 -0.000000e+00 -0.000000e+00 -2.617744e-04 -1.027650e+00 -RegularMesh - ID = 1 - Name = - Dimensions = 3 - Voxels = [13 13 13] - Lower left = [-12. -66. -66.] - Upper Right = [np.float64(120.0), np.float64(66.0), np.float64(66.0)] - Width = [10.15384615 10.15384615 10.15384615] - -Lower Bounds --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 -3.822845e-02 -6.242863e-02 -9.163122e-02 -6.105451e-02 -1.537303e-02 -2.401944e-02 -3.347208e-02 -2.064596e-02 -1.284033e-02 -1.951273e-02 -2.569050e-02 -1.405347e-02 -1.681353e-02 -2.599172e-02 -3.509032e-02 -2.021227e-02 -6.964964e-02 -1.074522e-01 -1.456952e-01 -8.665108e-02 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 -5.276246e-02 -8.799171e-02 -1.303633e-01 -8.632131e-02 -7.225981e-03 -1.153150e-02 -1.627833e-02 -1.040183e-02 -6.555497e-03 -9.747302e-03 -1.275773e-02 -7.021127e-03 -8.843451e-03 -1.284253e-02 -1.611014e-02 -7.654911e-03 -9.919362e-03 -1.501532e-02 -1.978741e-02 -1.035324e-02 -9.668577e-03 -1.476450e-02 -1.969213e-02 -1.115526e-02 -4.803177e-02 -7.596777e-02 -1.065662e-01 -6.828730e-02 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 -1.356134e-02 -2.152762e-02 -3.044481e-02 -1.969563e-02 -6.666326e-03 -9.928266e-03 -1.311347e-02 -7.073653e-03 -9.920706e-03 -1.436938e-02 -1.809283e-02 -8.100263e-03 -1.258429e-02 -1.797776e-02 -2.143567e-02 -7.880940e-03 -1.208941e-02 -1.738488e-02 -2.139666e-02 -8.771488e-03 -1.083261e-02 -1.621441e-02 -2.102122e-02 -1.079786e-02 -2.054515e-02 -3.191969e-02 -4.355838e-02 -2.655702e-02 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 -8.390730e-03 -1.291730e-02 -1.783957e-02 -1.109779e-02 -8.036267e-03 -1.206734e-02 -1.586586e-02 -7.984226e-03 -1.037509e-02 -1.474348e-02 -1.768050e-02 -6.606053e-03 -7.981093e-03 -1.078448e-02 -1.150615e-02 -3.443428e-03 -1.192813e-02 -1.676338e-02 -1.944234e-02 -6.675085e-03 -1.008049e-02 -1.492669e-02 -1.904777e-02 -9.227253e-03 -1.122699e-02 -1.681552e-02 -2.235277e-02 -1.284278e-02 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 -1.240590e-02 -1.924295e-02 -2.691571e-02 -1.742679e-02 -7.391499e-03 -1.084862e-02 -1.388880e-02 -7.178236e-03 -9.664865e-03 -1.368078e-02 -1.655871e-02 -7.028351e-03 -1.151185e-02 -1.620851e-02 -1.920861e-02 -7.116715e-03 -1.153318e-02 -1.711021e-02 -2.154839e-02 -9.048947e-03 -9.254162e-03 -1.379250e-02 -1.770963e-02 -8.857901e-03 -1.610760e-02 -2.488749e-02 -3.380289e-02 -2.042225e-02 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 -4.586430e-02 -7.562958e-02 -1.125964e-01 -8.197654e-02 -7.528601e-03 -1.126665e-02 -1.540969e-02 -9.923446e-03 -7.310798e-03 -1.104652e-02 -1.467154e-02 -7.829943e-03 -9.594209e-03 -1.400710e-02 -1.771643e-02 -8.523739e-03 -7.917885e-03 -1.189082e-02 -1.527407e-02 -7.470461e-03 -8.774879e-03 -1.343675e-02 -1.790533e-02 -1.018253e-02 -4.124108e-02 -6.702029e-02 -9.738495e-02 -6.456859e-02 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 -6.310209e-02 -9.926219e-02 -1.431268e-01 -1.003129e-01 -1.234931e-02 -1.928172e-02 -2.711293e-02 -1.735408e-02 -1.306315e-02 -2.024127e-02 -2.787383e-02 -1.694618e-02 -1.365038e-02 -2.145533e-02 -2.949951e-02 -1.746108e-02 -4.965859e-02 -8.308089e-02 -1.222846e-01 -7.963101e-02 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 --1.000000e+00 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-8.256025e-06 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 -8.260460e-07 -2.388664e-06 -6.129098e-06 -9.019006e-06 -4.833971e-08 -1.501409e-07 -4.087097e-07 -6.444759e-07 -2.333223e-08 -6.541483e-08 -1.704106e-07 -2.732514e-07 -2.053639e-08 -5.769042e-08 -1.521842e-07 -2.483772e-07 -2.761176e-08 -7.897572e-08 -2.086485e-07 -3.410039e-07 -7.220070e-08 -2.039897e-07 -5.192835e-07 -7.899444e-07 -1.069614e-06 -3.436959e-06 -9.071922e-06 -1.310108e-05 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 -1.064222e-07 -3.312027e-07 -8.879100e-07 -1.342800e-06 -2.112862e-08 -5.972746e-08 -1.571664e-07 -2.511004e-07 -1.454649e-08 -3.822278e-08 -9.766057e-08 -1.581848e-07 -1.247215e-08 -3.279377e-08 -8.629825e-08 -1.430025e-07 -1.335126e-08 -3.602322e-08 -9.499741e-08 -1.584839e-07 -2.521926e-08 -7.116093e-08 -1.853036e-07 -2.893741e-07 -1.258311e-07 -3.733366e-07 -9.663888e-07 -1.423081e-06 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 -6.714338e-08 -1.961238e-07 -5.100577e-07 -7.817034e-07 -1.739126e-08 -4.906814e-08 -1.309446e-07 -2.171684e-07 -1.135428e-08 -3.124654e-08 -8.502873e-08 -1.437941e-07 -4.999411e-09 -2.116988e-08 -8.697548e-08 -1.337619e-07 -9.519315e-09 -2.645803e-08 -7.267000e-08 -1.237748e-07 -1.924375e-08 -5.396233e-08 -1.419870e-07 -2.254856e-07 -8.302435e-08 -2.481999e-07 -6.526257e-07 -9.760668e-07 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 -8.335486e-08 -2.471666e-07 -6.495560e-07 -1.011445e-06 -2.099151e-08 -5.909882e-08 -1.547687e-07 -2.487698e-07 -1.067336e-08 -2.868864e-08 -7.506161e-08 -1.237113e-07 -7.892442e-09 -2.176258e-08 -5.885590e-08 -9.918847e-08 -1.465044e-08 -3.819194e-08 -9.746193e-08 -1.581889e-07 -2.631582e-08 -7.371786e-08 -1.900468e-07 -2.896372e-07 -1.469811e-07 -4.444998e-07 -1.165927e-06 -1.732338e-06 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 -6.346355e-07 -1.889769e-06 -4.847365e-06 -7.188023e-06 -4.545417e-08 -1.365878e-07 -3.623406e-07 -5.584174e-07 -1.922583e-08 -5.576028e-08 -1.489378e-07 -2.414899e-07 -1.629160e-08 -4.579334e-08 -1.215716e-07 -2.017720e-07 -2.249718e-08 -6.345708e-08 -1.676523e-07 -2.737623e-07 -5.801228e-08 -1.762927e-07 -4.716401e-07 -7.238130e-07 -8.176830e-07 -2.324432e-06 -5.840057e-06 -8.477041e-06 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 -6.219328e-07 -1.824469e-06 -4.642793e-06 -6.851858e-06 -1.033570e-07 -3.295657e-07 -8.998706e-07 -1.390121e-06 -8.555805e-08 -2.541034e-07 -6.669919e-07 -1.024547e-06 -1.187327e-07 -3.526836e-07 -9.231376e-07 -1.386540e-06 -7.016225e-07 -1.966947e-06 -4.865768e-06 -6.880902e-06 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 --5.000000e+00 +tally 1: +1.686897E-01 +5.900151E-03 +7.025764E-01 +9.969095E-02 +3.429472E+00 +2.361631E+00 +3.425656E+01 +2.350466E+02 +1.528425E-07 +8.188664E-15 +8.472842E-07 +2.302656E-13 +3.779095E-06 +4.193893E-12 +6.106458E-06 +9.981191E-12 +5.009135E+00 +5.289562E+00 +1.867710E+01 +7.093762E+01 +6.345935E+01 +8.080979E+02 +1.033872E+02 +2.141064E+03 diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py index 8ba4c1f7f6b..8f6638351d5 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py @@ -3,6 +3,7 @@ import numpy as np import openmc +import openmc.mgxs from openmc.examples import sphere_with_shielded_pocket from tests.testing_harness import TolerantPyAPITestHarness @@ -11,161 +12,27 @@ GROUPS = 'CASMO-4' -def mgxs_coverage(path): - """Return (covered, uncovered) material name lists for an MGXS library. - - A material is "covered" if its total cross section is finite with at least - one positive value; materials that received no tallies during generation - have all-zero cross sections. - """ - library = openmc.MGXSLibrary.from_hdf5(path) - covered, uncovered = [], [] - for xsdata in library.xsdatas: - total = np.asarray(xsdata.total[0], dtype=float) - if np.all(np.isfinite(total)) and np.any(total > 0.0): - covered.append(xsdata.name) - else: - uncovered.append(xsdata.name) - return covered, uncovered - - -class MGXSBootstrapTestHarness(TolerantPyAPITestHarness): - """Runs the full MGXS bootstrap workflow. - - The harness model is the random ray FW-CADIS weight window generation run - (stage 1). After it executes, the analog (stage 2) and bootstrapped - (stage 3) material-wise MGXS generation solves are run from the original - continuous energy model. - - The compared results contain the stochastic slab, analog, and bootstrapped - MGXS libraries along with the generated weight window bounds, so subtle - changes anywhere in the chain -- the MGXS generation methods, the random - ray solver, the weight window generation, or the weight window application - (splitting/roulette) in the Monte Carlo solve -- are detected. All stages - run at the ambient thread count: multithreaded reductions leave ulp-level - noise in the tallies and weight window bounds they produce, and transport - through the resulting weight windows is required to be robust to that - noise (see WEIGHT_WINDOW_REL_TOL), so this test also guards against any - regression of that robustness. - """ - - def __init__(self, statepoint_name, model, ce_model): - super().__init__(statepoint_name, model) - self._ce_model = ce_model - self._analog_uncovered = None - self._boot_uncovered = None - - def _run_openmc(self): - # Stage 1: random ray FW-CADIS solve producing weight_windows.h5 - super()._run_openmc() - - # Stage 2 (negative control): the analog material_wise solve cannot - # reach the steel pocket, so its MGXS must come out zero. - analog = copy.deepcopy(self._ce_model) - analog.convert_to_multigroup( - method='material_wise', groups=GROUPS, nparticles=1, - overwrite_mgxs_library=True, mgxs_path='mgxs_analog.h5') - _, self._analog_uncovered = mgxs_coverage('mgxs_analog.h5') - - # Stage 3: the same solve bootstrapped with the stage 1 weight windows - # reaches the pocket and produces a complete library. - boot = copy.deepcopy(self._ce_model) - boot.convert_to_multigroup( - method='material_wise', groups=GROUPS, nparticles=1, - overwrite_mgxs_library=True, mgxs_path='mgxs_boot.h5', - weight_windows_file='weight_windows.h5') - _, self._boot_uncovered = mgxs_coverage('mgxs_boot.h5') - - # Hard semantic asserts (in addition to the reference comparison) so - # that a broken feature can never be baked into the reference files by - # an --update run. - assert self._analog_uncovered == ['Steel'] - assert self._boot_uncovered == [] - - def _mgxs_lines(self, label, path): - lines = [] - library = openmc.MGXSLibrary.from_hdf5(path) - for xsdata in sorted(library.xsdatas, key=lambda x: x.name): - lines.append(f'{label} MGXS {xsdata.name}') - for name, array in (('total', xsdata.total[0]), - ('absorption', xsdata.absorption[0]), - ('scatter', xsdata.scatter_matrix[0])): - lines.append(name) - lines += [f'{v:.6e}' for v in - np.asarray(array, dtype=float).flatten()] - return lines - - def _get_results(self): - """Digest the coverage verdicts, the three MGXS libraries, and the - weight window bounds.""" - lines = [f'analog uncovered: {sorted(self._analog_uncovered)}', - f'bootstrap uncovered: {sorted(self._boot_uncovered)}'] - lines += self._mgxs_lines('slab', 'mgxs_slab.h5') - lines += self._mgxs_lines('analog', 'mgxs_analog.h5') - lines += self._mgxs_lines('bootstrap', 'mgxs_boot.h5') - - ww = openmc.WeightWindowsList.from_hdf5()[0] - lines.append(str(ww.mesh)) - lines.append('Lower Bounds') - lines += [f'{x:.6e}' for x in ww.lower_ww_bounds.flatten()] - lines.append('Upper Bounds') - lines += [f'{x:.6e}' for x in ww.upper_ww_bounds.flatten()] - return '\n'.join(lines) + '\n' - +class MGXSTestHarness(TolerantPyAPITestHarness): def _cleanup(self): super()._cleanup() - for f in ('weight_windows.h5', 'mgxs_slab.h5', 'mgxs_analog.h5', - 'mgxs_boot.h5'): + for f in ('mgxs.h5', 'weight_windows.h5'): if os.path.exists(f): os.remove(f) -def test_random_ray_auto_convert_bootstrap(): - """Bootstrapped material-wise MGXS generation with weight windows. - - The example model holds a steel pocket behind ~1 m of concrete, which a - ~200 history analog solve reaches with probability well below 1%. The - "material_wise" MGXS method therefore produces zero cross sections for the - steel unless the continuous energy solve applies weight windows, supplied - via the weight_windows_file argument from a stochastic_slab + random ray - FW-CADIS generation pass. - """ - openmc.reset_auto_ids() - model = sphere_with_shielded_pocket() - - # Inherited by every continuous energy solve below. Weight window - # checkpoints assist the bootstrapped solve; they also propagate into the - # random ray weight window generation run, where they must have no effect - # on the rays (random ray generates weight windows but never applies - # them). - model.settings.weight_window_checkpoints = { - 'collision': True, 'surface': True} - model.settings.max_history_splits = 100_000 - - # Convert a copy to multigroup with the stochastic_slab method and set up - # the random ray FW-CADIS weight window generation run (stage 1). - mg_model = copy.deepcopy(model) - mg_model.convert_to_multigroup( - method='stochastic_slab', groups=GROUPS, nparticles=50, - overwrite_mgxs_library=True, mgxs_path='mgxs_slab.h5') - mg_model.convert_to_random_ray() - - # Overlay a ~10 cm source region / weight window mesh on the geometry - bbox = mg_model.geometry.bounding_box - ll = np.asarray(bbox.lower_left) - ur = np.asarray(bbox.upper_right) - mesh = openmc.RegularMesh() - mesh.dimension = np.round((ur - ll) / 10.0).astype(int) - mesh.lower_left = ll - mesh.upper_right = ur - - rr = mg_model.settings.random_ray - rr['source_region_meshes'] = [(mesh, [mg_model.geometry.root_universe])] +def configure_random_ray(model, mesh): + """Convert the model to random ray mode, with settings shared by the + weight window generation solve and the final solve.""" + model.convert_to_random_ray() + rr = model.settings.random_ray + rr['source_region_meshes'] = [(mesh, [model.geometry.root_universe])] rr['distance_inactive'] = 100.0 rr['distance_active'] = 400.0 # convert_to_random_ray samples ray origins from the bounding box, which # for a spherical geometry includes regions outside the geometry. Sample # from the box inscribed in the sphere instead. + ll = np.asarray(mesh.lower_left) + ur = np.asarray(mesh.upper_right) center = (ll + ur) / 2 half = (ur - ll).min() / 2 / np.sqrt(3.0) * 0.99 rr['ray_source'] = openmc.IndependentSource( @@ -173,13 +40,66 @@ def test_random_ray_auto_convert_bootstrap(): rr['source_shape'] = 'flat' rr['sample_method'] = 'halton' rr['volume_estimator'] = 'hybrid' + model.settings.particles = 1000 + model.settings.batches = 20 + model.settings.inactive = 15 - mg_model.settings.particles = 1000 - mg_model.settings.batches = 20 - mg_model.settings.inactive = 15 + +def test_random_ray_auto_convert_bootstrap(): + # Tests the weight window bootstrapped MGXS generation workflow: cheap + # global weight windows (stochastic_slab MGXS + random ray FW-CADIS) feed a + # material_wise generation via the weight_windows_file argument. The + # example's steel pocket sits behind ~1 m of concrete, which the + # material_wise generation solve essentially never reaches without weight + # windows, so the pocket flux tallied in the final solve depends on the + # bootstrapped steel cross sections being generated correctly. + openmc.reset_auto_ids() + model = sphere_with_shielded_pocket() + + # Inherited by the continuous energy generation solves below: weight window + # checkpoints help the bootstrapped solve reach the pocket, and must have + # no effect on the random ray solves (random ray generates weight windows + # but never applies them). + model.settings.weight_window_checkpoints = { + 'collision': True, 'surface': True} + model.settings.max_history_splits = 100_000 + + # Overlay a ~10 cm source region / weight window mesh on the geometry + bbox = model.geometry.bounding_box + mesh = openmc.RegularMesh() + mesh.dimension = np.round( + (np.asarray(bbox.upper_right) - np.asarray(bbox.lower_left)) / 10.0 + ).astype(int) + mesh.lower_left = bbox.lower_left + mesh.upper_right = bbox.upper_right + + # Generate weight windows covering the whole problem with the + # stochastic_slab method and a random ray FW-CADIS solve + mg_model = copy.deepcopy(model) + mg_model.convert_to_multigroup( + method='stochastic_slab', groups=GROUPS, nparticles=50, + overwrite_mgxs_library=True, mgxs_path='mgxs.h5') + configure_random_ray(mg_model, mesh) mg_model.settings.weight_window_generators = openmc.WeightWindowGenerator( method='fw_cadis', mesh=mesh, max_realizations=20, energy_bounds=openmc.mgxs.EnergyGroups(GROUPS).group_edges) - - harness = MGXSBootstrapTestHarness('statepoint.20.h5', mg_model, model) + mg_model.run() + + # Bootstrap the material-wise MGXS generation with those weight windows + model.convert_to_multigroup( + method='material_wise', groups=GROUPS, nparticles=1, + overwrite_mgxs_library=True, mgxs_path='mgxs.h5', + weight_windows_file='weight_windows.h5') + + # Run a random ray solve with the bootstrapped library, tallying the flux + # in every region + configure_random_ray(model, mesh) + tally = openmc.Tally(name='flux') + tally.filters = [ + openmc.CellFilter(list(model.geometry.get_all_cells().values())), + openmc.EnergyFilter(openmc.mgxs.EnergyGroups(GROUPS).group_edges)] + tally.scores = ['flux'] + model.tallies = openmc.Tallies([tally]) + + harness = MGXSTestHarness('statepoint.20.h5', model) harness.main() From cf210219d51047536c7f09f301099c181a47c761 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 04:23:19 +0000 Subject: [PATCH 09/22] Test the complete bootstrap workflow; center the example sphere Restructure the bootstrap regression test as the complete five-run workflow: stochastic_slab MGXS generation, random ray FW-CADIS weight window generation, material_wise MGXS generation bootstrapped with those windows, a second FW-CADIS generation from the higher-fidelity library, and a final continuous energy Monte Carlo solve using the improved windows, whose per-region flux tallies are compared against the reference results through the standard harness. Every stage of the workflow feeds the compared tallies, including the weight window application in the final continuous energy solve. Also center the example sphere at the origin with the source cavity offset toward the -x surface (a pure translation of the previous geometry), which describes the asymmetric-shielding design more conventionally. Co-Authored-By: Claude Fable 5 --- openmc/examples.py | 51 +++++++------ .../inputs_true.dat | 67 ++++++----------- .../results_true.dat | 30 ++------ .../random_ray_auto_convert_bootstrap/test.py | 72 ++++++++++--------- 4 files changed, 90 insertions(+), 130 deletions(-) diff --git a/openmc/examples.py b/openmc/examples.py index 0e2636ec8d9..bf8f77fa886 100644 --- a/openmc/examples.py +++ b/openmc/examples.py @@ -1623,22 +1623,23 @@ def fill_cube(N, n_1, n_2, fill_1, fill_2, fill_3): def sphere_with_shielded_pocket() -> openmc.Model: """Create a continuous energy deep-shielding model with a far detector pocket. - A 2 MeV isotropic neutron source sits in a small air cavity at the origin, - inside a concrete sphere whose center is offset along the +x axis. A small - steel pocket is embedded flush with the sphere surface on the +x axis, - behind roughly a meter of concrete, while the concrete is much thinner in - every other direction. The geometry is designed for testing weight window - and variance reduction workflows: + A concrete sphere is centered at the origin. A 2 MeV isotropic neutron + source sits in a small air cavity just inside the sphere surface on the -x + side, and a small steel pocket is embedded flush with the surface on the + +x axis, so roughly a meter of concrete separates the source from the + pocket while only a few centimeters of concrete back the cavity. The + geometry is designed for testing weight window and variance reduction + workflows: - The probability that an analog source neutron reaches the steel pocket is ~4e-5 (the product of the concrete attenuation and the pocket's small solid angle), so an analog simulation with a few hundred histories essentially never tallies the steel, while even crude global weight windows allow particles to reach it reliably. - - Because the sphere is offset, deep shielding (and thus a wide weight - window dynamic range) exists only within the small solid angle subtended - by the pocket, which keeps weight window splitting cheap and convergent - and the whole model fast enough for regression testing. + - Because the cavity sits near the surface, deep shielding (and thus a wide + weight window dynamic range) exists only within the small solid angle + subtended by the pocket, which keeps weight window splitting cheap and + convergent and the whole model fast enough for regression testing. Returns ------- @@ -1674,29 +1675,24 @@ def sphere_with_shielded_pocket() -> openmc.Model: ########################################################################### # Geometry - # The concrete sphere spans x = -12 to x = 120: the pocket sits flush with - # the outer surface at x = 120 behind ~92 cm of concrete, while only ~6 cm - # of concrete backs the source cavity on the -x side. Offsetting the sphere - # this way confines the deep shielding to the solid angle subtended by the - # pocket; the sphere center and radius below are just the midpoint and - # half-width of that span. - sphere_x_min = -12.0 - sphere_x_max = 120.0 - r_sphere = (sphere_x_max - sphere_x_min) / 2 - x_offset = (sphere_x_max + sphere_x_min) / 2 + # ~92 cm of concrete separates the cavity from the pocket face, while only + # ~6 cm of concrete backs the cavity on the -x side, so deep shielding is + # confined to the solid angle subtended by the pocket. + r_sphere = 66.0 + cavity_center_x = -54.0 cavity_half_width = 6.0 - pocket_inner_face = 98.0 + pocket_inner_face = 44.0 pocket_half_width = 4.0 - sphere = openmc.Sphere(x0=x_offset, r=r_sphere, boundary_type='vacuum') + sphere = openmc.Sphere(r=r_sphere, boundary_type='vacuum') cavity_box = openmc.model.RectangularParallelepiped( - -cavity_half_width, cavity_half_width, + cavity_center_x - cavity_half_width, cavity_center_x + cavity_half_width, -cavity_half_width, cavity_half_width, -cavity_half_width, cavity_half_width) # The pocket box extends past the sphere surface and is clipped by it, so # the pocket sits flush with (and just inside) the outer surface. pocket_box = openmc.model.RectangularParallelepiped( - pocket_inner_face, sphere_x_max + 1.0, + pocket_inner_face, r_sphere + 1.0, -pocket_half_width, pocket_half_width, -pocket_half_width, pocket_half_width) @@ -1713,8 +1709,11 @@ def sphere_with_shielded_pocket() -> openmc.Model: # Source and settings source = openmc.IndependentSource() - source.space = openmc.stats.Box([-cavity_half_width] * 3, - [cavity_half_width] * 3) + source.space = openmc.stats.Box( + [cavity_center_x - cavity_half_width, + -cavity_half_width, -cavity_half_width], + [cavity_center_x + cavity_half_width, + cavity_half_width, cavity_half_width]) source.constraints = {'domains': [cavity_cell]} source.angle = openmc.stats.Isotropic() source.energy = openmc.stats.Discrete([2.0e6], [1.0]) diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat index da151ac5fcf..c397a2ff086 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat @@ -1,33 +1,37 @@ - mgxs.h5 - - + + + - - + + + + + + - - + + - - - + + + - - + + @@ -35,12 +39,11 @@ fixed source - 1000 - 20 - 15 + 20 + 10 - -6.0 -6.0 -6.0 6.0 6.0 6.0 + -60.0 -6.0 -6.0 -48.0 6.0 6.0 @@ -51,46 +54,20 @@ 1 - multi-group + true + weight_windows.h5 true true 100000 - - - - - 16.275933411149857 -37.72406658885014 -37.72406658885014 91.72406658885015 37.72406658885014 37.72406658885014 - - - - 100.0 - 400.0 - - - - - - flat - halton - hybrid - - - 13 13 13 - -12.0 -66.0 -66.0 - 120.0 66.0 66.0 - 1 2 3 - - 0.0 0.625 5530.0 821000.0 20000000.0 - - 193 194 + 193 flux diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat index b424079106e..e45c7140388 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat @@ -1,25 +1,7 @@ tally 1: -1.686897E-01 -5.900151E-03 -7.025764E-01 -9.969095E-02 -3.429472E+00 -2.361631E+00 -3.425656E+01 -2.350466E+02 -1.528425E-07 -8.188664E-15 -8.472842E-07 -2.302656E-13 -3.779095E-06 -4.193893E-12 -6.106458E-06 -9.981191E-12 -5.009135E+00 -5.289562E+00 -1.867710E+01 -7.093762E+01 -6.345935E+01 -8.080979E+02 -1.033872E+02 -2.141064E+03 +8.010199E+01 +7.027113E+02 +2.541135E-04 +8.230868E-09 +8.530007E+02 +8.553200E+04 diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py index 8f6638351d5..f036c13ba21 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py @@ -20,9 +20,9 @@ def _cleanup(self): os.remove(f) -def configure_random_ray(model, mesh): - """Convert the model to random ray mode, with settings shared by the - weight window generation solve and the final solve.""" +def generate_weight_windows(model, mesh): + """Convert a multigroup model to random ray and run a FW-CADIS weight + window generation solve, producing weight_windows.h5.""" model.convert_to_random_ray() rr = model.settings.random_ray rr['source_region_meshes'] = [(mesh, [model.geometry.root_universe])] @@ -31,35 +31,36 @@ def configure_random_ray(model, mesh): # convert_to_random_ray samples ray origins from the bounding box, which # for a spherical geometry includes regions outside the geometry. Sample # from the box inscribed in the sphere instead. - ll = np.asarray(mesh.lower_left) - ur = np.asarray(mesh.upper_right) - center = (ll + ur) / 2 - half = (ur - ll).min() / 2 / np.sqrt(3.0) * 0.99 + half = np.asarray(mesh.upper_right).min() / np.sqrt(3.0) * 0.99 rr['ray_source'] = openmc.IndependentSource( - space=openmc.stats.Box(center - half, center + half)) + space=openmc.stats.Box([-half] * 3, [half] * 3)) rr['source_shape'] = 'flat' rr['sample_method'] = 'halton' rr['volume_estimator'] = 'hybrid' model.settings.particles = 1000 model.settings.batches = 20 model.settings.inactive = 15 + model.settings.weight_window_generators = openmc.WeightWindowGenerator( + method='fw_cadis', mesh=mesh, max_realizations=20, + energy_bounds=openmc.mgxs.EnergyGroups(GROUPS).group_edges) + model.run() def test_random_ray_auto_convert_bootstrap(): - # Tests the weight window bootstrapped MGXS generation workflow: cheap - # global weight windows (stochastic_slab MGXS + random ray FW-CADIS) feed a - # material_wise generation via the weight_windows_file argument. The - # example's steel pocket sits behind ~1 m of concrete, which the - # material_wise generation solve essentially never reaches without weight - # windows, so the pocket flux tallied in the final solve depends on the - # bootstrapped steel cross sections being generated correctly. + # Tests the weight window bootstrapped MGXS generation workflow, which + # consists of five OpenMC runs: a stochastic_slab MGXS generation, a random + # ray FW-CADIS weight window generation, a material_wise MGXS generation + # using those weight windows (which reach the steel pocket that an analog + # solve essentially never tallies), a second FW-CADIS generation using the + # bootstrapped library, and a final continuous energy Monte Carlo solve + # using the improved weight windows, whose tallies are compared against + # the reference results. openmc.reset_auto_ids() model = sphere_with_shielded_pocket() - # Inherited by the continuous energy generation solves below: weight window - # checkpoints help the bootstrapped solve reach the pocket, and must have - # no effect on the random ray solves (random ray generates weight windows - # but never applies them). + # Used by the continuous energy solves below; these have no effect on the + # random ray solves (random ray generates weight windows but never applies + # them). model.settings.weight_window_checkpoints = { 'collision': True, 'surface': True} model.settings.max_history_splits = 100_000 @@ -75,31 +76,32 @@ def test_random_ray_auto_convert_bootstrap(): # Generate weight windows covering the whole problem with the # stochastic_slab method and a random ray FW-CADIS solve - mg_model = copy.deepcopy(model) - mg_model.convert_to_multigroup( + slab_model = copy.deepcopy(model) + slab_model.convert_to_multigroup( method='stochastic_slab', groups=GROUPS, nparticles=50, overwrite_mgxs_library=True, mgxs_path='mgxs.h5') - configure_random_ray(mg_model, mesh) - mg_model.settings.weight_window_generators = openmc.WeightWindowGenerator( - method='fw_cadis', mesh=mesh, max_realizations=20, - energy_bounds=openmc.mgxs.EnergyGroups(GROUPS).group_edges) - mg_model.run() + generate_weight_windows(slab_model, mesh) - # Bootstrap the material-wise MGXS generation with those weight windows - model.convert_to_multigroup( + # Bootstrap the material-wise MGXS generation with those weight windows, + # then regenerate the weight windows from the higher-fidelity library + boot_model = copy.deepcopy(model) + boot_model.convert_to_multigroup( method='material_wise', groups=GROUPS, nparticles=1, overwrite_mgxs_library=True, mgxs_path='mgxs.h5', weight_windows_file='weight_windows.h5') - - # Run a random ray solve with the bootstrapped library, tallying the flux - # in every region - configure_random_ray(model, mesh) + generate_weight_windows(boot_model, mesh) + + # Run the continuous energy model with the improved weight windows, + # tallying the flux in every region + model.settings.weight_windows_file = 'weight_windows.h5' + model.settings.weight_windows_on = True + model.settings.particles = 20 + model.settings.batches = 10 tally = openmc.Tally(name='flux') tally.filters = [ - openmc.CellFilter(list(model.geometry.get_all_cells().values())), - openmc.EnergyFilter(openmc.mgxs.EnergyGroups(GROUPS).group_edges)] + openmc.CellFilter(list(model.geometry.get_all_cells().values()))] tally.scores = ['flux'] model.tallies = openmc.Tallies([tally]) - harness = MGXSTestHarness('statepoint.20.h5', model) + harness = MGXSTestHarness('statepoint.10.h5', model) harness.main() From ed7093b07ce08679e36d6083db8b1715f05cad93 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 04:29:36 +0000 Subject: [PATCH 10/22] Enclose example sphere in a vacuum box for uniform ray sampling Random ray requires ray origins sampled uniformly in space over the entire domain, and ray sampling does not honor source domain constraints with the halton sample method. Enclose the example's concrete sphere in a vacuum-bounded box with a void gap so that the default box ray source from convert_to_random_ray is uniform over the whole domain, and drop the test's ray source override (which had restricted sampling to a box inscribed in the sphere, biasing the ray density). Co-Authored-By: Claude Fable 5 --- openmc/examples.py | 17 ++++++-- .../inputs_true.dat | 41 +++++++++++-------- .../results_true.dat | 14 ++++--- .../random_ray_auto_convert_bootstrap/test.py | 6 --- 4 files changed, 45 insertions(+), 33 deletions(-) diff --git a/openmc/examples.py b/openmc/examples.py index bf8f77fa886..94f1668211d 100644 --- a/openmc/examples.py +++ b/openmc/examples.py @@ -1628,8 +1628,10 @@ def sphere_with_shielded_pocket() -> openmc.Model: side, and a small steel pocket is embedded flush with the surface on the +x axis, so roughly a meter of concrete separates the source from the pocket while only a few centimeters of concrete back the cavity. The - geometry is designed for testing weight window and variance reduction - workflows: + sphere is enclosed in a vacuum-bounded box, with a void gap in between, so + that solvers which sample uniformly over a rectangular domain (e.g., + random ray) can be applied directly. The geometry is designed for testing + weight window and variance reduction workflows: - The probability that an analog source neutron reaches the steel pocket is ~4e-5 (the product of the concrete attenuation and the pocket's small @@ -1679,12 +1681,17 @@ def sphere_with_shielded_pocket() -> openmc.Model: # ~6 cm of concrete backs the cavity on the -x side, so deep shielding is # confined to the solid angle subtended by the pocket. r_sphere = 66.0 + box_half_width = 70.0 cavity_center_x = -54.0 cavity_half_width = 6.0 pocket_inner_face = 44.0 pocket_half_width = 4.0 - sphere = openmc.Sphere(r=r_sphere, boundary_type='vacuum') + sphere = openmc.Sphere(r=r_sphere) + outer_box = openmc.model.RectangularParallelepiped( + -box_half_width, box_half_width, + -box_half_width, box_half_width, + -box_half_width, box_half_width, boundary_type='vacuum') cavity_box = openmc.model.RectangularParallelepiped( cavity_center_x - cavity_half_width, cavity_center_x + cavity_half_width, -cavity_half_width, cavity_half_width, @@ -1702,8 +1709,10 @@ def sphere_with_shielded_pocket() -> openmc.Model: concrete_cell = openmc.Cell( name='concrete', fill=concrete, region=-sphere & +cavity_box & ~(-pocket_box & -sphere)) + void_cell = openmc.Cell(name='void', region=+sphere & -outer_box) - model.geometry = openmc.Geometry([cavity_cell, pocket_cell, concrete_cell]) + model.geometry = openmc.Geometry( + [cavity_cell, pocket_cell, concrete_cell, void_cell]) ########################################################################### # Source and settings diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat index c397a2ff086..87043f116d6 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat @@ -20,22 +20,29 @@ - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + fixed source @@ -64,7 +71,7 @@ - 1 2 3 + 1 2 3 4 193 diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat index e45c7140388..f5d1b050692 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat @@ -1,7 +1,9 @@ tally 1: -8.010199E+01 -7.027113E+02 -2.541135E-04 -8.230868E-09 -8.530007E+02 -8.553200E+04 +9.500337E+01 +9.709273E+02 +2.417257E-04 +1.153221E-08 +9.046900E+02 +8.904339E+04 +1.034722E+02 +1.134807E+03 diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py index f036c13ba21..52b15c0c7b3 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py @@ -28,12 +28,6 @@ def generate_weight_windows(model, mesh): rr['source_region_meshes'] = [(mesh, [model.geometry.root_universe])] rr['distance_inactive'] = 100.0 rr['distance_active'] = 400.0 - # convert_to_random_ray samples ray origins from the bounding box, which - # for a spherical geometry includes regions outside the geometry. Sample - # from the box inscribed in the sphere instead. - half = np.asarray(mesh.upper_right).min() / np.sqrt(3.0) * 0.99 - rr['ray_source'] = openmc.IndependentSource( - space=openmc.stats.Box([-half] * 3, [half] * 3)) rr['source_shape'] = 'flat' rr['sample_method'] = 'halton' rr['volume_estimator'] = 'hybrid' From eaec54a1b282059b6b259aac22129ee93099afb9 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 13:30:10 +0000 Subject: [PATCH 11/22] Slim unit tests to argument validation; fix comment grammar Drop the monkeypatch-based plumbing test, which duplicated coverage now provided end-to-end by the bootstrap regression test while coupling the test suite to a private helper. The remaining unit tests cover only the documented validation paths (wrong-method warning and missing-file error), which the regression test does not exercise and which require no nuclear data. Also fix the grammar of the weight window split comment that was extended by an earlier commit. Co-Authored-By: Claude Fable 5 --- src/weight_windows.cpp | 8 +-- .../unit_tests/test_convert_to_multigroup.py | 61 +++---------------- 2 files changed, 14 insertions(+), 55 deletions(-) diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp index d34f07be94d..69ffc4b2e0a 100644 --- a/src/weight_windows.cpp +++ b/src/weight_windows.cpp @@ -1008,10 +1008,10 @@ void apply_weight_window(Particle& p, WeightWindow weight_window) if (p.ww_factor() > 1.0) weight_window.scale(p.ww_factor()); - // if particle's weight is above the weight window split until they are - // within the window. The comparisons use a relative dead band so that the - // branch taken is insensitive to bit-level differences in the window bounds - // (see WEIGHT_WINDOW_REL_TOL). + // If the particle's weight is above the weight window, split it until the + // resulting particles are within the window. The comparisons use a relative + // dead band so that the branch taken is insensitive to bit-level differences + // in the window bounds (see WEIGHT_WINDOW_REL_TOL). if (weight > weight_window.upper_weight * (1.0 + WEIGHT_WINDOW_REL_TOL)) { // do not further split the particle if above the limit if (p.n_split() >= settings::max_history_splits) diff --git a/tests/unit_tests/test_convert_to_multigroup.py b/tests/unit_tests/test_convert_to_multigroup.py index 44a6b531087..d563f455c4c 100644 --- a/tests/unit_tests/test_convert_to_multigroup.py +++ b/tests/unit_tests/test_convert_to_multigroup.py @@ -1,11 +1,10 @@ """Tests for the ``weight_windows_file`` argument of :meth:`openmc.Model.convert_to_multigroup`. -These tests focus on the input validation and the plumbing that threads a weight -windows file into the material-wise MGXS generation simulation. They are -deliberately lightweight and do not run a transport simulation (and therefore do -not require nuclear data): the cross section generation step is either skipped -(by pre-creating the library file) or intercepted via monkeypatching. +The bootstrapped generation itself is covered by the +``random_ray_auto_convert_bootstrap`` regression test; the tests here only +cover the argument validation, which requires no transport simulation or +nuclear data. """ from pathlib import Path @@ -15,8 +14,7 @@ import openmc -def _sphere_model(): - """Build a small, self-contained fixed source model.""" +def _minimal_model(): openmc.reset_auto_ids() model = openmc.Model() @@ -26,8 +24,7 @@ def _sphere_model(): model.materials.append(mat) sph = openmc.Sphere(r=10.0, boundary_type="vacuum") - cell = openmc.Cell(fill=mat, region=-sph) - model.geometry = openmc.Geometry([cell]) + model.geometry = openmc.Geometry([openmc.Cell(fill=mat, region=-sph)]) model.settings.run_mode = "fixed source" model.settings.particles = 100 @@ -36,49 +33,11 @@ def _sphere_model(): return model -def test_weight_windows_file_threaded_into_material_wise(run_in_tmpdir, monkeypatch): - """The provided weight windows file is loaded and enabled on the model that - is actually run during material-wise MGXS generation, with its path resolved - to an absolute location (the solve runs in a temporary directory).""" - model = _sphere_model() - - # A file must exist for the material_wise validation to pass. - Path("weight_windows.h5").touch() - - captured = {} - - class _StopGeneration(Exception): - pass - - def spy(run_model, groups, correction, directory): - captured["file"] = run_model.settings.weight_windows_file - captured["on"] = run_model.settings.weight_windows_on - # Short-circuit before any transport simulation is launched. - raise _StopGeneration - - monkeypatch.setattr( - openmc.Model, "_auto_generate_mgxs_lib", staticmethod(spy)) - - with pytest.raises(_StopGeneration): - model.convert_to_multigroup( - method="material_wise", - groups="CASMO-2", - weight_windows_file="weight_windows.h5", - overwrite_mgxs_library=True, - ) - - assert captured["on"] is True - assert captured["file"] is not None - ww_path = Path(captured["file"]) - assert ww_path.is_absolute() - assert ww_path.name == "weight_windows.h5" - - @pytest.mark.parametrize("method", ["stochastic_slab", "infinite_medium"]) def test_weight_windows_file_wrong_method_warns(run_in_tmpdir, method): """Supplying weight windows to a method other than material_wise issues a warning and is otherwise ignored.""" - model = _sphere_model() + model = _minimal_model() # Pre-create the MGXS library so that the conversion skips generation # entirely (no simulation is run, so no nuclear data is required). @@ -94,9 +53,9 @@ def test_weight_windows_file_wrong_method_warns(run_in_tmpdir, method): def test_weight_windows_file_missing_raises(run_in_tmpdir): - """A material-wise conversion with a nonexistent weight windows file raises a - clear error before any simulation is attempted.""" - model = _sphere_model() + """A material-wise conversion with a nonexistent weight windows file raises + a clear error before any simulation is attempted.""" + model = _minimal_model() with pytest.raises(FileNotFoundError, match="[Ww]eight windows"): model.convert_to_multigroup( From af377354eb53250caf4e71bb9d72e6aed534d684 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 13:35:14 +0000 Subject: [PATCH 12/22] Remove unit tests for weight_windows_file argument validation The path resolution behavior is exercised by the bootstrap regression test (which passes a relative path while generation runs in a temporary directory), a nonexistent path errors at runtime regardless, and the wrong-method warning is a documented one-line courtesy that does not warrant a test fixture. Co-Authored-By: Claude Fable 5 --- .../unit_tests/test_convert_to_multigroup.py | 64 ------------------- 1 file changed, 64 deletions(-) delete mode 100644 tests/unit_tests/test_convert_to_multigroup.py diff --git a/tests/unit_tests/test_convert_to_multigroup.py b/tests/unit_tests/test_convert_to_multigroup.py deleted file mode 100644 index d563f455c4c..00000000000 --- a/tests/unit_tests/test_convert_to_multigroup.py +++ /dev/null @@ -1,64 +0,0 @@ -"""Tests for the ``weight_windows_file`` argument of -:meth:`openmc.Model.convert_to_multigroup`. - -The bootstrapped generation itself is covered by the -``random_ray_auto_convert_bootstrap`` regression test; the tests here only -cover the argument validation, which requires no transport simulation or -nuclear data. -""" - -from pathlib import Path - -import pytest - -import openmc - - -def _minimal_model(): - openmc.reset_auto_ids() - model = openmc.Model() - - mat = openmc.Material(name="fuel") - mat.add_nuclide("U235", 1.0) - mat.set_density("g/cm3", 1.0) - model.materials.append(mat) - - sph = openmc.Sphere(r=10.0, boundary_type="vacuum") - model.geometry = openmc.Geometry([openmc.Cell(fill=mat, region=-sph)]) - - model.settings.run_mode = "fixed source" - model.settings.particles = 100 - model.settings.batches = 10 - model.settings.source = openmc.IndependentSource(space=openmc.stats.Point()) - return model - - -@pytest.mark.parametrize("method", ["stochastic_slab", "infinite_medium"]) -def test_weight_windows_file_wrong_method_warns(run_in_tmpdir, method): - """Supplying weight windows to a method other than material_wise issues a - warning and is otherwise ignored.""" - model = _minimal_model() - - # Pre-create the MGXS library so that the conversion skips generation - # entirely (no simulation is run, so no nuclear data is required). - Path("mgxs.h5").touch() - - with pytest.warns(UserWarning, match="weight_windows_file"): - model.convert_to_multigroup( - method=method, - weight_windows_file="weight_windows.h5", - ) - - assert model.settings.energy_mode == "multi-group" - - -def test_weight_windows_file_missing_raises(run_in_tmpdir): - """A material-wise conversion with a nonexistent weight windows file raises - a clear error before any simulation is attempted.""" - model = _minimal_model() - - with pytest.raises(FileNotFoundError, match="[Ww]eight windows"): - model.convert_to_multigroup( - method="material_wise", - weight_windows_file="does_not_exist.h5", - ) From ae6a54ff1115f3cd4d6ca7116607a106f2c01c84 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 09:27:43 -0500 Subject: [PATCH 13/22] docs edits --- docs/source/usersguide/random_ray.rst | 8 -------- docs/source/usersguide/variance_reduction.rst | 6 +----- 2 files changed, 1 insertion(+), 13 deletions(-) diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst index 82a732210ad..b066f197397 100644 --- a/docs/source/usersguide/random_ray.rst +++ b/docs/source/usersguide/random_ray.rst @@ -806,14 +806,6 @@ defined over the original geometry (and do not need weight windows, since they already tally all materials). A warning is issued and the argument is ignored if it is supplied to another method. -.. note:: - For the weight windows to take effect, they must be defined over a mesh that - covers the original problem geometry. This is automatically the case when the - weight windows are generated from the same model, as described above. The - resulting bootstrapped cross sections can then be used to seed a second, more - accurate random ray solve -- for example, to generate improved FW-CADIS - weight windows for a subsequent Monte Carlo simulation. - ~~~~~~~~~~~~ The Hard Way ~~~~~~~~~~~~ diff --git a/docs/source/usersguide/variance_reduction.rst b/docs/source/usersguide/variance_reduction.rst index 302e42a53fe..d551195f5cc 100644 --- a/docs/source/usersguide/variance_reduction.rst +++ b/docs/source/usersguide/variance_reduction.rst @@ -131,11 +131,7 @@ random ray mode can be found in the :ref:`Random Ray User Guide `. If you need to improve the fidelity of the MGXS library, there is more information on generating multigroup cross sections via OpenMC in the - :ref:`random ray MGXS guide `. In particular, if some materials sit - far behind shielding (a common situation in fusion analysis) such that the - high-fidelity ``"material_wise"`` method cannot reach them with an analog - solve, the cross section generation itself can be accelerated with weight - windows produced by an earlier run; see :ref:`mgxs_bootstrap`. + :ref:`random ray MGXS guide `. 2. Add in a :class:`~openmc.WeightWindowGenerator` in a similar manner as for MAGIC generation with Monte Carlo and set the :attr:`method` attribute set to From 0ec75ce2def4106900c1292c8ffd1b550345b83a Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 10 Jun 2026 16:44:15 +0000 Subject: [PATCH 14/22] fixed ww unit test that used weight windows. Changed seed to prevent negative tallies. --- tests/unit_tests/weightwindows/test.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py index efa203b510a..c9b24e3059f 100644 --- a/tests/unit_tests/weightwindows/test.py +++ b/tests/unit_tests/weightwindows/test.py @@ -249,7 +249,7 @@ def test_photon_heating(run_in_tmpdir, shared_secondary): model.settings.run_mode = 'fixed source' model.settings.batches = 5 - model.settings.particles = 101 + model.settings.particles = 100 model.settings.shared_secondary_bank = shared_secondary tally = openmc.Tally() From 3d9e3aea07cb9c115805712eabe27438b167761a Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Thu, 2 Jul 2026 12:11:54 -0500 Subject: [PATCH 15/22] Small updates --- docs/source/usersguide/random_ray.rst | 50 +++++++++++++-------------- openmc/examples.py | 4 +-- 2 files changed, 26 insertions(+), 28 deletions(-) diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst index bafaa1c2b00..adf5227f5f4 100644 --- a/docs/source/usersguide/random_ray.rst +++ b/docs/source/usersguide/random_ray.rst @@ -761,9 +761,9 @@ the fidelity of the generated MGXS data. .. _mgxs_bootstrap: -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Bootstrapping Material-Wise MGXS with Weight Windows -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ The ``"material_wise"`` method runs a continuous energy simulation of the original geometry, so it produces the highest fidelity cross sections of the @@ -772,15 +772,15 @@ far from the source (for example, a detector or structural material located outside a thick shield), an analog continuous energy simulation may be unable to transport any particles to that material. No tallies are scored there, and the resulting cross sections for that material are zero. This situation is common in -fusion shielding problems. +shielding problems. This limitation can be overcome by "bootstrapping" the cross section generation -with weight windows. The idea is to first cheaply produce a set of weight windows -that cover the entire problem, and then reuse them to push particles into the far -regions during the higher fidelity ``"material_wise"`` solve. The weight windows -are generated using the ``"stochastic_slab"`` method (which produces cross -sections for *all* materials regardless of their location) together with the -random ray solver and a :class:`~openmc.WeightWindowGenerator`, exactly as +with weight windows. The idea is to first cheaply produce a set of weight +windows that cover the entire problem and then reuse them to push particles into +the far regions during the higher fidelity ``"material_wise"`` solve. The weight +windows are generated using the ``"stochastic_slab"`` method (which produces +cross sections for *all* materials regardless of their location) together with +the random ray solver and a :class:`~openmc.WeightWindowGenerator`, exactly as described in the :ref:`FW-CADIS user guide `. The resulting ``weight_windows.h5`` file is then passed to a second, higher fidelity ``"material_wise"`` cross section generation via the ``weight_windows_file`` @@ -1124,9 +1124,9 @@ The adjoint flux random ray solver mode can be enabled as:: settings.random_ray['adjoint'] = True -When enabled, OpenMC will first run a forward transport simulation if there are -no user-specified adjoint sources present, followed by an adjoint transport -simulation. Fixed adjoint sources can be specified on the +When enabled, OpenMC will first run a forward transport simulation if there are +no user-specified adjoint sources present, followed by an adjoint transport +simulation. Fixed adjoint sources can be specified on the :attr:`openmc.Settings.random_ray` dictionary as follows:: # Geometry definition @@ -1139,21 +1139,21 @@ simulation. Fixed adjoint sources can be specified on the energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths) adj_source = openmc.IndependentSource( - energy=energy_distribution, + energy=energy_distribution, constraints={'domains': [detector_cell]} ) # Add to random_ray dict settings.random_ray['adjoint_source'] = adj_source -The same constraints apply to the user-defined adjoint source as to the forward -source, described in the :ref:`Fixed Source and Eigenvalue section -`. If this source is not provided, a forward -solve must take place to compute the adjoint external source when a forward -external source is present in the problem. Simulation settings (e.g., number of -rays, batches, etc.) will be identical for both calculations. At the -conclusion of the run, all results (e.g., tallies, plots, etc.) will be -derived from the adjoint flux rather than the forward flux but are not labeled +The same constraints apply to the user-defined adjoint source as to the forward +source, described in the :ref:`Fixed Source and Eigenvalue section +`. If this source is not provided, a forward +solve must take place to compute the adjoint external source when a forward +external source is present in the problem. Simulation settings (e.g., number of +rays, batches, etc.) will be identical for both calculations. At the +conclusion of the run, all results (e.g., tallies, plots, etc.) will be +derived from the adjoint flux rather than the forward flux but are not labeled any differently. When an initial forward solve is performed (i.e., when no user-specified adjoint source is present), its output files are also written to disk with a ``forward`` infix, so they are not overwritten by the subsequent @@ -1165,10 +1165,10 @@ generating FW-CADIS weight windows, no weight window file is written for the forward solve, as only the final adjoint-derived weight windows are meaningful. .. note:: - Use of the automated - :ref:`FW-CADIS weight window generator` is not - currently compatible with user-defined adjoint sources. Instead, the - initial forward calculation is used to assign "forward-weighted" adjoint + Use of the automated + :ref:`FW-CADIS weight window generator` is not + currently compatible with user-defined adjoint sources. Instead, the + initial forward calculation is used to assign "forward-weighted" adjoint sources to the tally regions of interest. --------------------------------------- diff --git a/openmc/examples.py b/openmc/examples.py index 92d7a081764..6c18b81e41e 100644 --- a/openmc/examples.py +++ b/openmc/examples.py @@ -1673,8 +1673,6 @@ def sphere_with_shielded_pocket() -> openmc.Model: steel.set_density('g/cm3', 7.87) steel.add_nuclide('Fe56', 1.0) - model.materials = openmc.Materials([air, concrete, steel]) - ########################################################################### # Geometry @@ -1726,7 +1724,7 @@ def sphere_with_shielded_pocket() -> openmc.Model: cavity_half_width, cavity_half_width]) source.constraints = {'domains': [cavity_cell]} source.angle = openmc.stats.Isotropic() - source.energy = openmc.stats.Discrete([2.0e6], [1.0]) + source.energy = openmc.stats.delta_function(2.0e6) model.settings.run_mode = 'fixed source' model.settings.source = source From b0febed9b24e49a1f31d74a6a8b579928ad6fd52 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Thu, 2 Jul 2026 21:26:45 +0000 Subject: [PATCH 16/22] Allow passing a Settings object to convert_to_multigroup Adds a `settings` argument to Model.convert_to_multigroup() so users can customize the continuous energy MGXS generation run(s). Only populated attributes of the passed object override the generation defaults, so a sparse object like Settings(particles=100_000) adjusts just that field. Resolution is layered: the model's own settings (material_wise) or a fresh Settings (surrogate methods), then the generation defaults, then the user's populated attributes. Attributes owned by a generation method (run_mode, source, and create_fission_neutrons for the surrogate methods; the model's run mode for material_wise) cannot be overridden. A weight_windows_file set via settings is funneled through the same validation and path resolution as the argument, and conflicts between the settings object and the overlapping arguments (nparticles, temperature_settings, weight_windows_file) raise an error. The merge is implemented as a new Settings.update() method that copies every populated (non-None, non-empty) attribute of another Settings instance, leaning on the same unset-value convention that to_xml_element() uses. run_mode is special-cased since its constructor default ('eigenvalue') is indistinguishable from an explicit assignment; a unit test guards the assumption that it remains the only such attribute. Co-Authored-By: Claude Fable 5 --- openmc/model/model.py | 160 ++++++++++++++++++++++++++---- openmc/settings.py | 46 +++++++++ tests/unit_tests/test_model.py | 157 +++++++++++++++++++++++++++++ tests/unit_tests/test_settings.py | 63 ++++++++++++ 4 files changed, 405 insertions(+), 21 deletions(-) diff --git a/openmc/model/model.py b/openmc/model/model.py index 82b0ae4dad8..8b0d6326091 100644 --- a/openmc/model/model.py +++ b/openmc/model/model.py @@ -2043,6 +2043,7 @@ def _isothermal_infinite_media_mgxs( source: openmc.IndependentSource, temperature_settings: dict, temperature: float | None = None, + settings: openmc.Settings | None = None, ) -> openmc.XSdata: """Generate a single MGXS set for one material, where the geometry is an infinite medium composed of that material at an isothermal temperature value. @@ -2069,6 +2070,9 @@ def _isothermal_infinite_media_mgxs( temperature : float, optional The isothermal temperature value to apply to the material. If not specified, defaults to the temperature in the material. + settings : openmc.Settings, optional + User settings applied on top of the generation defaults. See + :meth:`Model.convert_to_multigroup` for the resolution rules. Returns ------- @@ -2082,18 +2086,21 @@ def _isothermal_infinite_media_mgxs( if temperature is not None: model.materials[-1].temperature = temperature - # Settings + # Settings for the generation run: defaults first, overridden by any + # populated attributes of the user-provided settings model.settings.batches = 100 model.settings.particles = nparticles + model.settings.output = {'summary': True, 'tallies': False} + model.settings.temperature = temperature_settings + if settings is not None: + model.settings.update(settings) + # These fields are owned by the infinite medium method and cannot be + # overridden by user settings model.settings.source = source - model.settings.run_mode = 'fixed source' model.settings.create_fission_neutrons = False - model.settings.output = {'summary': True, 'tallies': False} - model.settings.temperature = temperature_settings - # Geometry box = openmc.model.RectangularPrism( 100000.0, 100000.0, boundary_type='reflective') @@ -2122,6 +2129,7 @@ def _generate_infinite_medium_mgxs( source_energy: openmc.stats.Univariate | None = None, temperatures: Sequence[float] | None = None, temperature_settings: dict | None = None, + settings: openmc.Settings | None = None, ) -> None: """Generate a MGXS library by running multiple OpenMC simulations, each representing an infinite medium simulation of a single isolated @@ -2170,6 +2178,9 @@ def _generate_infinite_medium_mgxs( A dictionary of temperature settings to use when generating MGXS. Valid entries for temperature_settings are the same as the valid entries in openmc.Settings.temperature_settings. + settings : openmc.Settings, optional + User settings applied on top of the generation defaults. See + :meth:`Model.convert_to_multigroup` for the resolution rules. """ src = self._create_mgxs_sources( @@ -2194,7 +2205,8 @@ def _generate_infinite_medium_mgxs( correction, directory, src, - temp_settings + temp_settings, + settings=settings ) mgxs_sets.append(xs_data) @@ -2217,7 +2229,8 @@ def _generate_infinite_medium_mgxs( directory, src, temp_settings, - temperature + temperature, + settings=settings ) raw_mgxs_sets[temperature].append(xs_data) @@ -2320,6 +2333,7 @@ def _isothermal_stochastic_slab_mgxs( source: openmc.IndependentSource, temperature_settings: dict, temperature: float | None = None, + settings: openmc.Settings | None = None, ) -> dict[str, openmc.XSdata]: """Generate MGXS assuming a stochastic "sandwich" of materials in a layered slab geometry. If a temperature is specified, all materials in the slab have @@ -2347,6 +2361,9 @@ def _isothermal_stochastic_slab_mgxs( temperature : float, optional The isothermal temperature value to apply to the materials in the slab. If not specified, defaults to the temperature in the materials. + settings : openmc.Settings, optional + User settings applied on top of the generation defaults. See + :meth:`Model.convert_to_multigroup` for the resolution rules. Returns ------- @@ -2361,21 +2378,22 @@ def _isothermal_stochastic_slab_mgxs( for material in model.geometry.get_all_materials().values(): material.temperature = temperature - # Settings + # Settings for the generation run: defaults first, overridden by any + # populated attributes of the user-provided settings model.settings.batches = 200 model.settings.inactive = 100 model.settings.particles = nparticles model.settings.output = {'summary': True, 'tallies': False} model.settings.temperature = temperature_settings + if settings is not None: + model.settings.update(settings) - # Define the sources + # These fields are owned by the stochastic slab method and cannot be + # overridden by user settings model.settings.source = source - model.settings.run_mode = 'fixed source' model.settings.create_fission_neutrons = False - model.settings.output = {'summary': True, 'tallies': False} - # Generate MGXS mgxs_lib = Model._auto_generate_mgxs_lib( model, groups, correction, directory) @@ -2403,6 +2421,7 @@ def _generate_stochastic_slab_mgxs( source_energy: openmc.stats.Univariate | None = None, temperatures: Sequence[float] | None = None, temperature_settings: dict | None = None, + settings: openmc.Settings | None = None, ) -> None: """Generate MGXS assuming a stochastic "sandwich" of materials in a layered slab geometry. While geometry-specific spatial shielding effects are not @@ -2454,6 +2473,9 @@ def _generate_stochastic_slab_mgxs( A dictionary of temperature settings to use when generating MGXS. Valid entries for temperature_settings are the same as the valid entries in openmc.Settings.temperature_settings. + settings : openmc.Settings, optional + User settings applied on top of the generation defaults. See + :meth:`Model.convert_to_multigroup` for the resolution rules. """ # Stochastic slab geometry @@ -2480,7 +2502,8 @@ def _generate_stochastic_slab_mgxs( correction, directory, src, - temp_settings + temp_settings, + settings=settings ).values() # Write the file to disk. @@ -2500,7 +2523,8 @@ def _generate_stochastic_slab_mgxs( directory, src, temp_settings, - temperature + temperature, + settings=settings ) # Unpack the isothermal XSData objects and build a single XSData object per material. @@ -2527,6 +2551,7 @@ def _isothermal_materialwise_mgxs( temperature_settings: dict, temperature: float | None = None, weight_windows_file: PathLike | None = None, + settings: openmc.Settings | None = None, ) -> dict[str, openmc.XSdata]: """Generate a material-wise MGXS library for the model by running the original continuous energy OpenMC simulation. If a temperature is @@ -2561,6 +2586,9 @@ def _isothermal_materialwise_mgxs( Path to a weight windows file to load and apply during the continuous energy solve. See :meth:`Model.convert_to_multigroup` for details. + settings : openmc.Settings, optional + User settings applied on top of the generation defaults. See + :meth:`Model.convert_to_multigroup` for the resolution rules. Returns ------- @@ -2574,12 +2602,29 @@ def _isothermal_materialwise_mgxs( for material in model.geometry.get_all_materials().values(): material.temperature = temperature - # Settings + # Settings for the generation run: the input model's own settings are + # the base (via the deepcopy above), the generation defaults replace + # the values that are tuned for the final multigroup solve, and any + # populated attributes of the user-provided settings take precedence + # over both model.settings.batches = 200 model.settings.inactive = 100 model.settings.particles = nparticles model.settings.output = {'summary': True, 'tallies': False} model.settings.temperature = temperature_settings + if settings is not None: + model.settings.update(settings) + # Catch a half-overridden batch specification early: the error + # OpenMC would otherwise emit at run time would not explain + # where the inactive batches came from + if (model.settings.run_mode == 'eigenvalue' + and model.settings.inactive >= model.settings.batches): + raise ValueError( + f'The requested "settings.batches" ' + f'({model.settings.batches}) must exceed the number of ' + f'inactive batches ({model.settings.inactive}, which ' + 'defaults to 100 for MGXS generation); set ' + '"settings.inactive" as well.') # If a weight window file was provided, load and apply the weight # windows during the continuous energy solve. This allows materials far @@ -2616,6 +2661,7 @@ def _generate_material_wise_mgxs( temperatures: Sequence[float] | None = None, temperature_settings: dict | None = None, weight_windows_file: PathLike | None = None, + settings: openmc.Settings | None = None, ) -> None: """Generate a material-wise MGXS library for the model by running the original continuous energy OpenMC simulation of the full material @@ -2652,6 +2698,9 @@ def _generate_material_wise_mgxs( Path to a weight windows file to load and apply during the continuous energy solve. See :meth:`Model.convert_to_multigroup` for details. + settings : openmc.Settings, optional + User settings applied on top of the generation defaults. See + :meth:`Model.convert_to_multigroup` for the resolution rules. """ temp_settings = {} if temperature_settings is None: @@ -2667,7 +2716,8 @@ def _generate_material_wise_mgxs( correction, directory, temp_settings, - weight_windows_file=weight_windows_file + weight_windows_file=weight_windows_file, + settings=settings ).values() # Write the file to disk. @@ -2687,7 +2737,8 @@ def _generate_material_wise_mgxs( directory, temp_settings, temperature, - weight_windows_file=weight_windows_file + weight_windows_file=weight_windows_file, + settings=settings ) # Unpack the isothermal XSData objects and build a single XSData object per material. @@ -2708,7 +2759,7 @@ def convert_to_multigroup( self, method: str = "material_wise", groups: str | Sequence[float] | openmc.mgxs.EnergyGroups = "CASMO-2", - nparticles: int = 2000, + nparticles: int | None = None, overwrite_mgxs_library: bool = False, mgxs_path: PathLike = "mgxs.h5", correction: str | None = None, @@ -2716,6 +2767,7 @@ def convert_to_multigroup( temperatures: Sequence[float] | None = None, temperature_settings: dict | None = None, weight_windows_file: PathLike | None = None, + settings: openmc.Settings | None = None, ): """Convert all materials from continuous energy to multigroup. @@ -2735,6 +2787,8 @@ def convert_to_multigroup( Defaults to ``"CASMO-2"``. nparticles : int, optional Number of particles to simulate per batch when generating MGXS. + Defaults to 2000. Specifying both this argument and a + ``settings`` object with ``particles`` set is an error. overwrite_mgxs_library : bool, optional Whether to overwrite an existing MGXS library file. mgxs_path : str, optional @@ -2782,11 +2836,74 @@ def convert_to_multigroup( warning is issued and the argument is ignored for the ``"stochastic_slab"`` and ``"infinite_medium"`` methods. + .. versionadded:: 0.15.4 + settings : openmc.Settings, optional + Settings for customizing the continuous energy simulation(s) used + to generate the MGXS library. Only attributes that are populated + override the generation defaults, so a sparse object may be used + to adjust just a few fields, e.g. + ``settings=openmc.Settings(particles=100_000)`` only increases + the particle count. The settings of the generation run are + resolved in three layers, with later layers taking precedence: + (1) the model's own settings for the ``"material_wise"`` method, + or a fresh :class:`openmc.Settings` object for the + surrogate-geometry methods; (2) the generation defaults (200 + batches with 100 inactive for ``"material_wise"`` and + ``"stochastic_slab"``, 100 batches for ``"infinite_medium"``, + 2000 particles, summary-only output, and the model's temperature + settings); (3) all populated attributes of this object (see + :meth:`openmc.Settings.update`). A few attributes are owned by + the generation method and cannot be overridden here: the + ``"stochastic_slab"`` and ``"infinite_medium"`` methods always + force ``run_mode``, ``source`` and ``create_fission_neutrons``, + while the ``"material_wise"`` method always takes its run mode + from the model. A ``weight_windows_file`` set on this object is + handled exactly as if it had been passed via the + ``weight_windows_file`` argument. Specifying an attribute both + here and via the corresponding argument (``nparticles``, + ``temperature_settings`` or ``weight_windows_file``) is an + error. + .. versionadded:: 0.15.4 """ if not isinstance(groups, openmc.mgxs.EnergyGroups): groups = openmc.mgxs.EnergyGroups(groups) + # Reconcile user-provided settings with the arguments they overlap + # with. A deepcopy is taken so the caller's object is never mutated. + if settings is not None: + check_type('settings', settings, openmc.Settings) + if nparticles is not None and settings.particles is not None: + raise ValueError( + 'Only one of the "nparticles" argument and ' + '"settings.particles" may be specified.') + if temperature_settings is not None and settings.temperature: + raise ValueError( + 'Only one of the "temperature_settings" argument and ' + '"settings.temperature" may be specified.') + settings = copy.deepcopy(settings) + + # A weight windows file given via settings is funneled through + # the same validation and path resolution as the argument below. + if settings.weight_windows_file is not None: + if weight_windows_file is not None: + raise ValueError( + 'Only one of the "weight_windows_file" argument and ' + '"settings.weight_windows_file" may be specified.') + weight_windows_file = settings.weight_windows_file + settings.weight_windows_file = None + + # The surrogate-geometry methods construct their own sources + if method != "material_wise" and len(settings.source) > 0: + warnings.warn( + 'The sources defined in "settings" are ignored by the ' + f'"{method}" MGXS generation method, which constructs ' + 'its own sources.') + settings.source = [] + + if nparticles is None: + nparticles = 2000 + # Weight windows are only applicable to the "material_wise" method, # which runs a continuous energy simulation of the original geometry # (and is therefore compatible with a weight window mesh defined over @@ -2848,15 +2965,16 @@ def convert_to_multigroup( if method == "infinite_medium": self._generate_infinite_medium_mgxs( groups, nparticles, mgxs_path, correction, tmpdir, source_energy, - temperatures, temperature_settings) + temperatures, temperature_settings, settings) elif method == "material_wise": self._generate_material_wise_mgxs( groups, nparticles, mgxs_path, correction, tmpdir, - temperatures, temperature_settings, weight_windows_file) + temperatures, temperature_settings, weight_windows_file, + settings) elif method == "stochastic_slab": self._generate_stochastic_slab_mgxs( groups, nparticles, mgxs_path, correction, tmpdir, source_energy, - temperatures, temperature_settings) + temperatures, temperature_settings, settings) else: raise ValueError( f'MGXS generation method "{method}" not recognized') diff --git a/openmc/settings.py b/openmc/settings.py index 8120eb073e6..81ade606300 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -1,4 +1,5 @@ from collections.abc import Iterable, Mapping, MutableSequence, Sequence +import copy from enum import Enum import itertools from math import ceil @@ -514,6 +515,51 @@ def __setattr__(self, name: str, value): warnings.warn(msg, stacklevel=2) super().__setattr__(name, value) + def update(self, other: 'Settings'): + """Update this object with all populated attributes of another instance. + + Every attribute of `other` that has been populated -- i.e., that is + not None and not an empty collection -- is copied to this object, + overwriting any existing value. Attributes that were never set on + `other` leave the corresponding attribute of this object untouched. + This allows a sparsely-populated Settings object to be applied as a + set of overrides on top of fully-populated defaults. + + Note that :attr:`run_mode` always carries a value, so an explicitly + assigned 'eigenvalue' run mode cannot be distinguished from the + default; the run mode is therefore only copied from `other` when it + differs from 'eigenvalue'. + + .. versionadded:: 0.15.4 + + Parameters + ---------- + other : openmc.Settings + Settings object whose populated attributes are applied to this + object. + + """ + cv.check_type('other', other, Settings) + for name, value in vars(other).items(): + # run_mode defaults to 'eigenvalue' rather than to an "unset" + # state, so only a non-default value is detectable (see note in + # the docstring). + if name == '_run_mode': + if value is not RunMode.EIGENVALUE: + self._run_mode = value + continue + + # None or an empty collection means the attribute was never set + # on `other` -- the same convention to_xml_element() relies on + # to decide which elements to export. + if value is None or (hasattr(value, '__len__') and len(value) == 0): + continue + + # Values on `other` were already validated by its property + # setters; deepcopy so later mutations of `other` cannot leak + # into this object. + setattr(self, name, copy.deepcopy(value)) + @property def run_mode(self) -> str: return self._run_mode.value diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py index 028a83b0bdc..53a559958e2 100644 --- a/tests/unit_tests/test_model.py +++ b/tests/unit_tests/test_model.py @@ -1067,3 +1067,160 @@ def test_convert_to_multigroup_preserves_material_names(run_in_tmpdir): macro = [m._macroscopic for m in model.materials] assert macro == [f"Steel_Plate__1_{a.id}", f"Steel_Plate__1_{b.id}"] assert len(set(macro)) == 2 + + +class _GenerationCaptured(Exception): + """Raised by the patched MGXS library builder to end generation early.""" + + +def _steel_water_model(): + a = openmc.Material(name='steel') + a.add_element('Fe', 1.0) + a.set_density('g/cm3', 7.9) + b = openmc.Material(name='water') + b.add_element('H', 2.0) + b.add_element('O', 1.0) + b.set_density('g/cm3', 1.0) + s1 = openmc.Sphere(r=1.0) + s2 = openmc.Sphere(r=2.0, boundary_type='vacuum') + c1 = openmc.Cell(fill=a, region=-s1) + c2 = openmc.Cell(fill=b, region=+s1 & -s2) + return openmc.Model(openmc.Geometry([c1, c2]), openmc.Materials([a, b])) + + +def _capture_generation_settings(monkeypatch, model, **kwargs): + """Return the resolved Settings of the MGXS generation run by capturing + the generation model just before transport would start.""" + captured = {} + + def fake_auto_generate(gen_model, groups, correction, directory): + captured['settings'] = gen_model.settings + raise _GenerationCaptured() + + monkeypatch.setattr(openmc.Model, '_auto_generate_mgxs_lib', + fake_auto_generate) + with pytest.raises(_GenerationCaptured): + model.convert_to_multigroup(**kwargs) + return captured['settings'] + + +def test_convert_to_multigroup_settings_material_wise(run_in_tmpdir, monkeypatch): + model = _steel_water_model() + model.settings.run_mode = 'fixed source' + model.settings.source = openmc.IndependentSource(space=openmc.stats.Point()) + model.settings.photon_transport = True + + user = openmc.Settings(particles=12345, seed=7) + gen = _capture_generation_settings( + monkeypatch, model, method='material_wise', settings=user) + + # User-populated attributes take precedence + assert gen.particles == 12345 + assert gen.seed == 7 + # Generation defaults fill whatever the user left unset + assert gen.batches == 200 + assert gen.inactive == 100 + assert gen.output == {'summary': True, 'tallies': False} + # The model's own settings pass through where not overridden + assert gen.photon_transport is True + assert len(gen.source) == 1 + # The run mode comes from the model even though the user's sparse + # settings object carries the constructor default of 'eigenvalue' + assert gen.run_mode == 'fixed source' + # The caller's settings object is never mutated + assert user.batches is None + assert user.run_mode == 'eigenvalue' + + +def test_convert_to_multigroup_settings_stochastic_slab(run_in_tmpdir, monkeypatch): + model = _steel_water_model() + + user = openmc.Settings() + user.particles = 999 + user.batches = 50 + user.inactive = 20 + user.max_history_splits = 42 + user.run_mode = 'volume' # owned by the method: ignored + user.source = openmc.IndependentSource(space=openmc.stats.Point()) + + with pytest.warns(UserWarning, match='constructs its own'): + gen = _capture_generation_settings( + monkeypatch, model, method='stochastic_slab', settings=user) + + assert gen.particles == 999 + assert gen.batches == 50 + assert gen.inactive == 20 + assert gen.max_history_splits == 42 + # Method-owned attributes cannot be overridden: the run mode and sources + # are forced, and the user's source was discarded with a warning + assert gen.run_mode == 'fixed source' + assert gen.create_fission_neutrons is False + assert len(gen.source) > 0 + assert all(s is not user.source[0] for s in gen.source) + + +def test_convert_to_multigroup_settings_infinite_medium(run_in_tmpdir, monkeypatch): + model = _steel_water_model() + + gen = _capture_generation_settings( + monkeypatch, model, method='infinite_medium', + settings=openmc.Settings(particles=777)) + + assert gen.particles == 777 + assert gen.batches == 100 + assert gen.run_mode == 'fixed source' + assert gen.create_fission_neutrons is False + + +def test_convert_to_multigroup_settings_weight_windows(run_in_tmpdir, monkeypatch): + model = _steel_water_model() + Path('ww.h5').touch() + + user = openmc.Settings() + user.weight_windows_file = 'ww.h5' + gen = _capture_generation_settings( + monkeypatch, model, method='material_wise', settings=user) + + # A weight windows file given via settings goes through the same handling + # as the weight_windows_file argument: resolved to an absolute path and + # weight windows turned on + assert Path(gen.weight_windows_file).is_absolute() + assert Path(gen.weight_windows_file).name == 'ww.h5' + assert gen.weight_windows_on is True + + +def test_convert_to_multigroup_settings_conflicts(run_in_tmpdir): + model = _steel_water_model() + + with pytest.raises(TypeError): + model.convert_to_multigroup(settings={'particles': 100}) + + with pytest.raises(ValueError, match='nparticles'): + model.convert_to_multigroup( + nparticles=1000, settings=openmc.Settings(particles=2000)) + + with pytest.raises(ValueError, match='temperature_settings'): + model.convert_to_multigroup( + temperature_settings={'method': 'interpolation'}, + settings=openmc.Settings(temperature={'method': 'interpolation'})) + + Path('ww.h5').touch() + user = openmc.Settings() + user.weight_windows_file = 'ww.h5' + with pytest.raises(ValueError, match='weight_windows_file'): + model.convert_to_multigroup(weight_windows_file='ww.h5', settings=user) + + +def test_convert_to_multigroup_settings_inactive_guard(run_in_tmpdir, monkeypatch): + # Setting batches below the default number of inactive batches without + # also setting inactive raises a helpful error for eigenvalue models + model = _steel_water_model() + + def fake_auto_generate(gen_model, groups, correction, directory): + raise _GenerationCaptured() + + monkeypatch.setattr(openmc.Model, '_auto_generate_mgxs_lib', + fake_auto_generate) + with pytest.raises(ValueError, match='inactive'): + model.convert_to_multigroup( + method='material_wise', settings=openmc.Settings(batches=50)) diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py index bdb3ea8fe9f..bd5947c2146 100644 --- a/tests/unit_tests/test_settings.py +++ b/tests/unit_tests/test_settings.py @@ -246,3 +246,66 @@ def test_properties_file_load(tmp_path, mpi_intracomm): assert mat.get_density('atom/b-cm') == pytest.approx( orig_density * density_factor, rel=1e-5 ) + + +def test_settings_update(): + base = openmc.Settings() + base.batches = 100 + base.inactive = 10 + base.particles = 1000 + base.photon_transport = True + base.output = {'summary': False} + base.source = openmc.IndependentSource(space=openmc.stats.Point()) + + overrides = openmc.Settings() + overrides.particles = 5000 + overrides.seed = 7 + overrides.output = {'tallies': True} + + base.update(overrides) + + # Populated attributes overwrite the base values + assert base.particles == 5000 + assert base.seed == 7 + assert base.output == {'tallies': True} + + # Unpopulated attributes (None or empty collections) leave the base + # values untouched + assert base.batches == 100 + assert base.inactive == 10 + assert base.photon_transport is True + assert len(base.source) == 1 + + # Copied values are deep copies: mutating the source object afterwards + # does not affect the updated object + overrides.output['tallies'] = False + assert base.output == {'tallies': True} + + with pytest.raises(TypeError): + base.update({'particles': 100}) + + +def test_settings_update_run_mode(): + # A non-default run mode is copied over... + base = openmc.Settings() + base.update(openmc.Settings(run_mode='fixed source')) + assert base.run_mode == 'fixed source' + + # ...but 'eigenvalue' is indistinguishable from the default and is not + base = openmc.Settings(run_mode='fixed source') + base.update(openmc.Settings(run_mode='eigenvalue')) + assert base.run_mode == 'fixed source' + + +def test_settings_update_unset_detection(): + # update() infers "never set" from a value of None or an empty + # collection. If this assertion fails, a new Settings attribute was + # given a default that update() cannot distinguish from a user-assigned + # value: either make the attribute default to None/empty or special-case + # it in update() the way run_mode is. + populated = { + name for name, value in vars(openmc.Settings()).items() + if value is not None + and not (hasattr(value, '__len__') and len(value) == 0) + } + assert populated == {'_run_mode'} From e405b741a6a7a61f13e3cca75a7d9bd5cbde4cb1 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Thu, 2 Jul 2026 22:12:43 +0000 Subject: [PATCH 17/22] Rework convert_to_multigroup settings customization; address review comments Replaces the merge-semantics design with a simpler pattern: the new Model.mgxs_generation_settings(method) returns the complete default Settings for the generation run (the model's own settings plus generation defaults for material_wise; a fresh object for the surrogate-geometry methods), and any Settings passed to convert_to_multigroup() is used verbatim. Settings.update() and its set-vs-unset detection, run_mode special-casing, and layered precedence rules are all removed. A hand-built settings object missing batches or particles (required for any transport run) fails fast with a pointer to the defaults. The nparticles and temperature_settings arguments are deprecated (FutureWarning) in favor of the settings argument, and all tests and the user's guide are migrated to the new pattern. Also addresses review feedback that the manual weight windows path resolution duplicated the Settings.weight_windows_file setter: the argument now goes through the standard input_path() handling (absolute by default; tests, which run with resolve_paths=False, pass absolute paths). Finally, convert_to_multigroup now populates the model's materials collection from the geometry (sorted by ID) when it was not set explicitly, matching Model export behavior. This repairs the bootstrap regression test after sphere_with_shielded_pocket() stopped assigning model.materials, and makes the conversion work for any model whose materials are only referenced through its geometry. Co-Authored-By: Claude Fable 5 --- docs/source/usersguide/random_ray.rst | 36 +- openmc/model/model.py | 388 ++++++++---------- openmc/settings.py | 46 --- .../random_ray_auto_convert/test.py | 4 +- .../random_ray_auto_convert_bootstrap/test.py | 11 +- .../test.py | 4 +- .../test.py | 4 +- .../test.py | 7 +- .../random_ray_diagonal_stabilization/test.py | 4 +- .../dagmc/test_convert_to_multigroup.py | 4 +- tests/unit_tests/test_model.py | 150 ++++--- tests/unit_tests/test_settings.py | 63 --- tests/unit_tests/weightwindows/test_ww_gen.py | 4 +- 13 files changed, 318 insertions(+), 407 deletions(-) diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst index adf5227f5f4..e2ca8061566 100644 --- a/docs/source/usersguide/random_ray.rst +++ b/docs/source/usersguide/random_ray.rst @@ -642,13 +642,11 @@ model to use these multigroup cross sections. An example is given below:: model.convert_to_multigroup( method="material_wise", groups="CASMO-2", - nparticles=2000, overwrite_mgxs_library=False, mgxs_path="mgxs.h5", correction=None, source_energy=None, - temperatures=None, - temperature_settings=None + temperatures=None ) The most important parameter to set is the ``method`` parameter, which can be @@ -695,12 +693,22 @@ of these methods is given below: When selecting a non-default energy group structure, you can manually define group boundaries or specify the name of a known group structure (a list of which -can be found at :data:`openmc.mgxs.GROUP_STRUCTURES`). The ``nparticles`` -parameter can be adjusted upward to improve the fidelity of the generated cross -section library. The ``correction`` parameter can be set to ``"P0"`` to enable -P0 transport correction. The ``overwrite_mgxs_library`` parameter can be set to -``True`` to overwrite an existing MGXS library file, or ``False`` to skip -generation and use an existing library file. +can be found at :data:`openmc.mgxs.GROUP_STRUCTURES`). The ``correction`` +parameter can be set to ``"P0"`` to enable P0 transport correction. The +``overwrite_mgxs_library`` parameter can be set to ``True`` to overwrite an +existing MGXS library file, or ``False`` to skip generation and use an existing +library file. + +The continuous energy simulations used to generate the cross section library +can be customized via the ``settings`` parameter. To do so, start from the +default settings returned by :meth:`openmc.Model.mgxs_generation_settings`, +modify them as desired, and pass the result back. For example, the number of +particles per batch (2,000 by default) can be increased to improve the fidelity +of the generated cross section library as:: + + settings = model.mgxs_generation_settings(method="material_wise") + settings.particles = 100_000 + model.convert_to_multigroup(method="material_wise", settings=settings) .. note:: MGXS transport correction (via setting the ``correction`` parameter in the @@ -741,12 +749,10 @@ The ``temperatures`` parameter can be provided if temperature-dependent multi-group cross sections are desired for multi-physics simulations. An individual cross section generation calculation is run for each temperature provided, where the materials in the model are set to the temperature. The -temperature settings used during cross section generation can be specified with the -``temperature_settings`` parameter. If no ``temperature_settings`` are provided, -the settings contained in the model will be used. The valid keys and values in the -``temperature_settings`` dictionary are identical to -:attr:`openmc.Settings.temperature_settings`; more information can be found in -:class:`openmc.Settings` . This approach yields isothermal cross section interpolation +temperature settings used during cross section generation default to those +contained in the model and can be customized by setting +:attr:`openmc.Settings.temperature` on the object passed via the ``settings`` +parameter. This approach yields isothermal cross section interpolation tables, which can be inaccurate for systems with large differences between temperatures in each material (often the case in fission reactors). If a more sophisticated temperature-dependence is required, we recommend generating cross sections manually. diff --git a/openmc/model/model.py b/openmc/model/model.py index 8b0d6326091..ac73f94fd7b 100644 --- a/openmc/model/model.py +++ b/openmc/model/model.py @@ -24,7 +24,7 @@ from openmc.checkvalue import check_type, check_value, PathLike from openmc.exceptions import InvalidIDError from openmc.plots import add_plot_params, _BASIS_INDICES, id_map_to_rgb -from openmc.utility_funcs import change_directory +from openmc.utility_funcs import change_directory, input_path # Protocol for a function that is passed to search_keff @@ -1880,12 +1880,10 @@ def _auto_generate_mgxs_lib( Parameters ---------- + model : openmc.Model + The model to generate the MGXS library from. groups : openmc.mgxs.EnergyGroups Energy group structure for the MGXS. - nparticles : int - Number of particles to simulate per batch when generating MGXS. - mgxs_path : str - Filename for the MGXS HDF5 file. correction : str Transport correction to apply to the MGXS. Options are None and "P0". @@ -2037,13 +2035,11 @@ def _create_mgxs_sources( def _isothermal_infinite_media_mgxs( material: openmc.Material, groups: openmc.mgxs.EnergyGroups, - nparticles: int, + settings: openmc.Settings, correction: str | None, directory: PathLike, source: openmc.IndependentSource, - temperature_settings: dict, temperature: float | None = None, - settings: openmc.Settings | None = None, ) -> openmc.XSdata: """Generate a single MGXS set for one material, where the geometry is an infinite medium composed of that material at an isothermal temperature value. @@ -2054,8 +2050,9 @@ def _isothermal_infinite_media_mgxs( The material to generate MGXS for groups : openmc.mgxs.EnergyGroups Energy group structure for the MGXS. - nparticles : int - Number of particles to simulate per batch when generating MGXS. + settings : openmc.Settings + Settings for the generation run, used verbatim except for the + fields owned by the infinite medium method. correction : str Transport correction to apply to the MGXS. Options are None and "P0". @@ -2063,16 +2060,9 @@ def _isothermal_infinite_media_mgxs( Directory to run the simulation in, so as to contain XML files. source : openmc.IndependentSource Source to use when generating MGXS. - temperature_settings : dict - A dictionary of temperature settings to use when generating MGXS. - Valid entries for temperature_settings are the same as the valid - entries in openmc.Settings.temperature_settings. temperature : float, optional The isothermal temperature value to apply to the material. If not specified, defaults to the temperature in the material. - settings : openmc.Settings, optional - User settings applied on top of the generation defaults. See - :meth:`Model.convert_to_multigroup` for the resolution rules. Returns ------- @@ -2086,17 +2076,9 @@ def _isothermal_infinite_media_mgxs( if temperature is not None: model.materials[-1].temperature = temperature - # Settings for the generation run: defaults first, overridden by any - # populated attributes of the user-provided settings - model.settings.batches = 100 - model.settings.particles = nparticles - model.settings.output = {'summary': True, 'tallies': False} - model.settings.temperature = temperature_settings - if settings is not None: - model.settings.update(settings) - - # These fields are owned by the infinite medium method and cannot be - # overridden by user settings + # The provided settings are used verbatim, except for the fields + # owned by the infinite medium method + model.settings = copy.deepcopy(settings) model.settings.source = source model.settings.run_mode = 'fixed source' model.settings.create_fission_neutrons = False @@ -2122,14 +2104,12 @@ def _isothermal_infinite_media_mgxs( def _generate_infinite_medium_mgxs( self, groups: openmc.mgxs.EnergyGroups, - nparticles: int, + settings: openmc.Settings, mgxs_path: PathLike, correction: str | None, directory: PathLike, source_energy: openmc.stats.Univariate | None = None, temperatures: Sequence[float] | None = None, - temperature_settings: dict | None = None, - settings: openmc.Settings | None = None, ) -> None: """Generate a MGXS library by running multiple OpenMC simulations, each representing an infinite medium simulation of a single isolated @@ -2158,8 +2138,9 @@ def _generate_infinite_medium_mgxs( ---------- groups : openmc.mgxs.EnergyGroups Energy group structure for the MGXS. - nparticles : int - Number of particles to simulate per batch when generating MGXS. + settings : openmc.Settings + Settings for the generation run(s), used verbatim except for the + fields owned by the infinite medium method. mgxs_path : str Filename for the MGXS HDF5 file. correction : str @@ -2174,13 +2155,6 @@ def _generate_infinite_medium_mgxs( A list of temperatures to generate MGXS at. Each infinite material region is isothermal at a given temperature data point for cross section generation. - temperature_settings : dict, optional - A dictionary of temperature settings to use when generating MGXS. - Valid entries for temperature_settings are the same as the valid - entries in openmc.Settings.temperature_settings. - settings : openmc.Settings, optional - User settings applied on top of the generation defaults. See - :meth:`Model.convert_to_multigroup` for the resolution rules. """ src = self._create_mgxs_sources( @@ -2189,24 +2163,16 @@ def _generate_infinite_medium_mgxs( source_energy=source_energy ) - temp_settings = {} - if temperature_settings is None: - temp_settings = self.settings.temperature - else: - temp_settings = temperature_settings - if temperatures is None: mgxs_sets = [] for material in self.materials: xs_data = Model._isothermal_infinite_media_mgxs( material, groups, - nparticles, + settings, correction, directory, - src, - temp_settings, - settings=settings + src ) mgxs_sets.append(xs_data) @@ -2224,13 +2190,11 @@ def _generate_infinite_medium_mgxs( xs_data = Model._isothermal_infinite_media_mgxs( material, groups, - nparticles, + settings, correction, directory, src, - temp_settings, - temperature, - settings=settings + temperature ) raw_mgxs_sets[temperature].append(xs_data) @@ -2327,13 +2291,11 @@ def _create_stochastic_slab_geometry( def _isothermal_stochastic_slab_mgxs( stoch_geom: openmc.Geometry, groups: openmc.mgxs.EnergyGroups, - nparticles: int, + settings: openmc.Settings, correction: str | None, directory: PathLike, source: openmc.IndependentSource, - temperature_settings: dict, temperature: float | None = None, - settings: openmc.Settings | None = None, ) -> dict[str, openmc.XSdata]: """Generate MGXS assuming a stochastic "sandwich" of materials in a layered slab geometry. If a temperature is specified, all materials in the slab have @@ -2345,8 +2307,9 @@ def _isothermal_stochastic_slab_mgxs( The stochastic slab geometry. groups : openmc.mgxs.EnergyGroups Energy group structure for the MGXS. - nparticles : int - Number of particles to simulate per batch when generating MGXS. + settings : openmc.Settings + Settings for the generation run, used verbatim except for the + fields owned by the stochastic slab method. correction : str Transport correction to apply to the MGXS. Options are None and "P0". @@ -2354,16 +2317,9 @@ def _isothermal_stochastic_slab_mgxs( Directory to run the simulation in, so as to contain XML files. source : openmc.IndependentSource Source to use when generating MGXS. - temperature_settings : dict - A dictionary of temperature settings to use when generating MGXS. - Valid entries for temperature_settings are the same as the valid - entries in openmc.Settings.temperature_settings. temperature : float, optional The isothermal temperature value to apply to the materials in the slab. If not specified, defaults to the temperature in the materials. - settings : openmc.Settings, optional - User settings applied on top of the generation defaults. See - :meth:`Model.convert_to_multigroup` for the resolution rules. Returns ------- @@ -2378,18 +2334,9 @@ def _isothermal_stochastic_slab_mgxs( for material in model.geometry.get_all_materials().values(): material.temperature = temperature - # Settings for the generation run: defaults first, overridden by any - # populated attributes of the user-provided settings - model.settings.batches = 200 - model.settings.inactive = 100 - model.settings.particles = nparticles - model.settings.output = {'summary': True, 'tallies': False} - model.settings.temperature = temperature_settings - if settings is not None: - model.settings.update(settings) - - # These fields are owned by the stochastic slab method and cannot be - # overridden by user settings + # The provided settings are used verbatim, except for the fields + # owned by the stochastic slab method + model.settings = copy.deepcopy(settings) model.settings.source = source model.settings.run_mode = 'fixed source' model.settings.create_fission_neutrons = False @@ -2414,14 +2361,12 @@ def _isothermal_stochastic_slab_mgxs( def _generate_stochastic_slab_mgxs( self, groups: openmc.mgxs.EnergyGroups, - nparticles: int, + settings: openmc.Settings, mgxs_path: PathLike, correction: str | None, directory: PathLike, source_energy: openmc.stats.Univariate | None = None, temperatures: Sequence[float] | None = None, - temperature_settings: dict | None = None, - settings: openmc.Settings | None = None, ) -> None: """Generate MGXS assuming a stochastic "sandwich" of materials in a layered slab geometry. While geometry-specific spatial shielding effects are not @@ -2439,8 +2384,9 @@ def _generate_stochastic_slab_mgxs( ---------- groups : openmc.mgxs.EnergyGroups Energy group structure for the MGXS. - nparticles : int - Number of particles to simulate per batch when generating MGXS. + settings : openmc.Settings + Settings for the generation run(s), used verbatim except for the + fields owned by the stochastic slab method. mgxs_path : str Filename for the MGXS HDF5 file. correction : str @@ -2469,13 +2415,6 @@ def _generate_stochastic_slab_mgxs( A list of temperatures to generate MGXS at. Each infinite material region is isothermal at a given temperature data point for cross section generation. - temperature_settings : dict, optional - A dictionary of temperature settings to use when generating MGXS. - Valid entries for temperature_settings are the same as the valid - entries in openmc.Settings.temperature_settings. - settings : openmc.Settings, optional - User settings applied on top of the generation defaults. See - :meth:`Model.convert_to_multigroup` for the resolution rules. """ # Stochastic slab geometry @@ -2488,22 +2427,14 @@ def _generate_stochastic_slab_mgxs( source_energy=source_energy ) - temp_settings = {} - if temperature_settings is None: - temp_settings = self.settings.temperature - else: - temp_settings = temperature_settings - if temperatures is None: mgxs_sets = Model._isothermal_stochastic_slab_mgxs( geo, groups, - nparticles, + settings, correction, directory, - src, - temp_settings, - settings=settings + src ).values() # Write the file to disk. @@ -2518,13 +2449,11 @@ def _generate_stochastic_slab_mgxs( raw_mgxs_sets[temperature] = Model._isothermal_stochastic_slab_mgxs( geo, groups, - nparticles, + settings, correction, directory, src, - temp_settings, - temperature, - settings=settings + temperature ) # Unpack the isothermal XSData objects and build a single XSData object per material. @@ -2545,13 +2474,11 @@ def _generate_stochastic_slab_mgxs( def _isothermal_materialwise_mgxs( input_model: openmc.Model, groups: openmc.mgxs.EnergyGroups, - nparticles: int, + settings: openmc.Settings, correction: str | None, directory: PathLike, - temperature_settings: dict, temperature: float | None = None, weight_windows_file: PathLike | None = None, - settings: openmc.Settings | None = None, ) -> dict[str, openmc.XSdata]: """Generate a material-wise MGXS library for the model by running the original continuous energy OpenMC simulation. If a temperature is @@ -2567,17 +2494,13 @@ def _isothermal_materialwise_mgxs( The model to use when computing material-wise MGXS. groups : openmc.mgxs.EnergyGroups Energy group structure for the MGXS. - nparticles : int - Number of particles to simulate per batch when generating MGXS. + settings : openmc.Settings + Settings for the generation run, used verbatim. correction : str Transport correction to apply to the MGXS. Options are None and "P0". directory : str Directory to run the simulation in, so as to contain XML files. - temperature_settings : dict - A dictionary of temperature settings to use when generating MGXS. - Valid entries for temperature_settings are the same as the valid - entries in openmc.Settings.temperature_settings. temperature : float, optional The isothermal temperature value to apply to the materials in the input model. If not specified, defaults to the temperatures in the @@ -2586,9 +2509,6 @@ def _isothermal_materialwise_mgxs( Path to a weight windows file to load and apply during the continuous energy solve. See :meth:`Model.convert_to_multigroup` for details. - settings : openmc.Settings, optional - User settings applied on top of the generation defaults. See - :meth:`Model.convert_to_multigroup` for the resolution rules. Returns ------- @@ -2602,29 +2522,8 @@ def _isothermal_materialwise_mgxs( for material in model.geometry.get_all_materials().values(): material.temperature = temperature - # Settings for the generation run: the input model's own settings are - # the base (via the deepcopy above), the generation defaults replace - # the values that are tuned for the final multigroup solve, and any - # populated attributes of the user-provided settings take precedence - # over both - model.settings.batches = 200 - model.settings.inactive = 100 - model.settings.particles = nparticles - model.settings.output = {'summary': True, 'tallies': False} - model.settings.temperature = temperature_settings - if settings is not None: - model.settings.update(settings) - # Catch a half-overridden batch specification early: the error - # OpenMC would otherwise emit at run time would not explain - # where the inactive batches came from - if (model.settings.run_mode == 'eigenvalue' - and model.settings.inactive >= model.settings.batches): - raise ValueError( - f'The requested "settings.batches" ' - f'({model.settings.batches}) must exceed the number of ' - f'inactive batches ({model.settings.inactive}, which ' - 'defaults to 100 for MGXS generation); set ' - '"settings.inactive" as well.') + # The provided settings are used verbatim + model.settings = copy.deepcopy(settings) # If a weight window file was provided, load and apply the weight # windows during the continuous energy solve. This allows materials far @@ -2654,14 +2553,12 @@ def _isothermal_materialwise_mgxs( def _generate_material_wise_mgxs( self, groups: openmc.mgxs.EnergyGroups, - nparticles: int, + settings: openmc.Settings, mgxs_path: PathLike, correction: str | None, directory: PathLike, temperatures: Sequence[float] | None = None, - temperature_settings: dict | None = None, weight_windows_file: PathLike | None = None, - settings: openmc.Settings | None = None, ) -> None: """Generate a material-wise MGXS library for the model by running the original continuous energy OpenMC simulation of the full material @@ -2677,8 +2574,8 @@ def _generate_material_wise_mgxs( ---------- groups : openmc.mgxs.EnergyGroups Energy group structure for the MGXS. - nparticles : int - Number of particles to simulate per batch when generating MGXS. + settings : openmc.Settings + Settings for the generation run(s), used verbatim. mgxs_path : PathLike Filename for the MGXS HDF5 file. correction : str @@ -2690,34 +2587,19 @@ def _generate_material_wise_mgxs( A list of temperatures to generate MGXS at. Each infinite material region is isothermal at a given temperature data point for cross section generation. - temperature_settings : dict, optional - A dictionary of temperature settings to use when generating MGXS. - Valid entries for temperature_settings are the same as the valid - entries in openmc.Settings.temperature_settings. weight_windows_file : PathLike, optional Path to a weight windows file to load and apply during the continuous energy solve. See :meth:`Model.convert_to_multigroup` for details. - settings : openmc.Settings, optional - User settings applied on top of the generation defaults. See - :meth:`Model.convert_to_multigroup` for the resolution rules. """ - temp_settings = {} - if temperature_settings is None: - temp_settings = self.settings.temperature - else: - temp_settings = temperature_settings - if temperatures is None: mgxs_sets = Model._isothermal_materialwise_mgxs( self, groups, - nparticles, + settings, correction, directory, - temp_settings, - weight_windows_file=weight_windows_file, - settings=settings + weight_windows_file=weight_windows_file ).values() # Write the file to disk. @@ -2732,13 +2614,11 @@ def _generate_material_wise_mgxs( raw_mgxs_sets[temperature] = Model._isothermal_materialwise_mgxs( self, groups, - nparticles, + settings, correction, directory, - temp_settings, temperature, - weight_windows_file=weight_windows_file, - settings=settings + weight_windows_file=weight_windows_file ) # Unpack the isothermal XSData objects and build a single XSData object per material. @@ -2755,6 +2635,57 @@ def _generate_material_wise_mgxs( mgxs_file.add_xsdata(mgxs_set) mgxs_file.export_to_hdf5(mgxs_path) + def mgxs_generation_settings( + self, method: str = "material_wise" + ) -> openmc.Settings: + """Default settings for the simulations used to generate a MGXS library. + + Returns the :class:`openmc.Settings` object that + :meth:`Model.convert_to_multigroup` would use by default for the given + generation method: a copy of the model's own settings for the + ``"material_wise"`` method, or a fresh Settings object for the + surrogate-geometry methods (``"stochastic_slab"`` and + ``"infinite_medium"``, which also inherit the model's temperature + settings), with the generation defaults for batches, inactive + batches, particles, and output applied. To customize MGXS + generation, modify the returned object and pass it back via the + ``settings`` argument:: + + settings = model.mgxs_generation_settings() + settings.particles = 100_000 + model.convert_to_multigroup(settings=settings) + + .. versionadded:: 0.15.4 + + Parameters + ---------- + method : {"material_wise", "stochastic_slab", "infinite_medium"}, optional + MGXS generation method the settings are intended for. + + Returns + ------- + openmc.Settings + Default settings for the MGXS generation run(s). + """ + check_value('method', method, + ('material_wise', 'stochastic_slab', 'infinite_medium')) + if method == 'material_wise': + settings = copy.deepcopy(self.settings) + else: + settings = openmc.Settings() + settings.temperature = copy.deepcopy(self.settings.temperature) + # The surrogate-geometry methods always run in fixed source mode + # with fission treated as capture (nu-fission is still tallied) + settings.run_mode = 'fixed source' + settings.create_fission_neutrons = False + + settings.batches = 100 if method == 'infinite_medium' else 200 + if method != 'infinite_medium': + settings.inactive = 100 + settings.particles = 2000 + settings.output = {'summary': True, 'tallies': False} + return settings + def convert_to_multigroup( self, method: str = "material_wise", @@ -2787,8 +2718,11 @@ def convert_to_multigroup( Defaults to ``"CASMO-2"``. nparticles : int, optional Number of particles to simulate per batch when generating MGXS. - Defaults to 2000. Specifying both this argument and a - ``settings`` object with ``particles`` set is an error. + Defaults to 2000. + + .. deprecated:: 0.15.4 + Set ``particles`` on the object passed via the ``settings`` + argument instead. overwrite_mgxs_library : bool, optional Whether to overwrite an existing MGXS library file. mgxs_path : str, optional @@ -2822,6 +2756,10 @@ def convert_to_multigroup( A dictionary of temperature settings to use when generating MGXS. Valid entries for temperature_settings are the same as the valid entries in openmc.Settings.temperature_settings. + + .. deprecated:: 0.15.4 + Set ``temperature`` on the object passed via the ``settings`` + argument instead. weight_windows_file : PathLike, optional Path to a weight windows file (e.g., ``"weight_windows.h5"``) to load and apply during the continuous energy MGXS generation @@ -2838,53 +2776,71 @@ def convert_to_multigroup( .. versionadded:: 0.15.4 settings : openmc.Settings, optional - Settings for customizing the continuous energy simulation(s) used - to generate the MGXS library. Only attributes that are populated - override the generation defaults, so a sparse object may be used - to adjust just a few fields, e.g. - ``settings=openmc.Settings(particles=100_000)`` only increases - the particle count. The settings of the generation run are - resolved in three layers, with later layers taking precedence: - (1) the model's own settings for the ``"material_wise"`` method, - or a fresh :class:`openmc.Settings` object for the - surrogate-geometry methods; (2) the generation defaults (200 - batches with 100 inactive for ``"material_wise"`` and - ``"stochastic_slab"``, 100 batches for ``"infinite_medium"``, - 2000 particles, summary-only output, and the model's temperature - settings); (3) all populated attributes of this object (see - :meth:`openmc.Settings.update`). A few attributes are owned by - the generation method and cannot be overridden here: the - ``"stochastic_slab"`` and ``"infinite_medium"`` methods always - force ``run_mode``, ``source`` and ``create_fission_neutrons``, - while the ``"material_wise"`` method always takes its run mode - from the model. A ``weight_windows_file`` set on this object is - handled exactly as if it had been passed via the - ``weight_windows_file`` argument. Specifying an attribute both - here and via the corresponding argument (``nparticles``, - ``temperature_settings`` or ``weight_windows_file``) is an - error. + Settings used verbatim for the continuous energy simulation(s) + that generate the MGXS library. If not provided, defaults are + taken from :meth:`Model.mgxs_generation_settings`; to customize + a run, start from those defaults, modify them, and pass the + result here. Note that the ``"stochastic_slab"`` and + ``"infinite_medium"`` methods construct their own fixed source + and set ``run_mode``, ``source``, and + ``create_fission_neutrons`` accordingly, and that a + ``weight_windows_file`` set on this object is handled exactly as + if it had been passed via the ``weight_windows_file`` argument. + Cannot be combined with the deprecated ``nparticles`` or + ``temperature_settings`` arguments. .. versionadded:: 0.15.4 """ if not isinstance(groups, openmc.mgxs.EnergyGroups): groups = openmc.mgxs.EnergyGroups(groups) - # Reconcile user-provided settings with the arguments they overlap - # with. A deepcopy is taken so the caller's object is never mutated. - if settings is not None: - check_type('settings', settings, openmc.Settings) - if nparticles is not None and settings.particles is not None: + # The model may reference its materials only through the geometry. + # The materials are converted in place and library-wide attributes + # like cross_sections must persist on the model afterwards, so + # populate the explicit collection if it is empty (sorted by ID for + # reproducibility, since geometry traversal order is arbitrary) + if not self.materials: + self.materials = openmc.Materials(sorted( + self.geometry.get_all_materials().values(), + key=lambda mat: mat.id)) + + # Resolve the settings for the MGXS generation run(s): the provided + # settings are used verbatim, otherwise the generation defaults are + # used (with the deprecated arguments applied, if given). + if nparticles is not None or temperature_settings is not None: + warnings.warn( + 'The "nparticles" and "temperature_settings" arguments are ' + 'deprecated. Customize MGXS generation by modifying the ' + 'Settings object returned by Model.mgxs_generation_settings()' + ' and passing it via the "settings" argument.', FutureWarning) + if settings is not None: raise ValueError( - 'Only one of the "nparticles" argument and ' - '"settings.particles" may be specified.') - if temperature_settings is not None and settings.temperature: + 'The deprecated "nparticles" and "temperature_settings" ' + 'arguments cannot be combined with the "settings" ' + 'argument.') + + if settings is None: + settings = self.mgxs_generation_settings(method) + if nparticles is not None: + settings.particles = nparticles + if temperature_settings is not None: + settings.temperature = temperature_settings + else: + check_type('settings', settings, openmc.Settings) + # batches and particles are required for any OpenMC transport + # run; catch their absence here so a hand-built settings object + # fails with a pointer to the defaults rather than a mysterious + # error from inside the generation run + if settings.batches is None or settings.particles is None: raise ValueError( - 'Only one of the "temperature_settings" argument and ' - '"settings.temperature" may be specified.') + 'The provided settings are missing required attributes ' + '(batches, particles). Start from the defaults returned ' + 'by Model.mgxs_generation_settings() and modify them ' + 'rather than building a Settings object from scratch.') settings = copy.deepcopy(settings) # A weight windows file given via settings is funneled through - # the same validation and path resolution as the argument below. + # the same validation and path resolution as the argument below if settings.weight_windows_file is not None: if weight_windows_file is not None: raise ValueError( @@ -2899,10 +2855,6 @@ def convert_to_multigroup( 'The sources defined in "settings" are ignored by the ' f'"{method}" MGXS generation method, which constructs ' 'its own sources.') - settings.source = [] - - if nparticles is None: - nparticles = 2000 # Weight windows are only applicable to the "material_wise" method, # which runs a continuous energy simulation of the original geometry @@ -2912,10 +2864,11 @@ def convert_to_multigroup( # windows are neither applicable nor needed. if weight_windows_file is not None: if method == "material_wise": - # Resolve to an absolute path now: MGXS generation runs in a - # temporary working directory, so a path relative to the current - # working directory would not be found at run time. - weight_windows_file = Path(weight_windows_file).resolve() + # Normalize the path in the same way as the + # Settings.weight_windows_file setter (resolved to an absolute + # path by default) and verify that it exists, since the + # generation run occurs in a temporary directory + weight_windows_file = input_path(weight_windows_file) if not weight_windows_file.is_file(): raise FileNotFoundError( f'Weight windows file "{weight_windows_file}" could ' @@ -2964,17 +2917,16 @@ def convert_to_multigroup( if not Path(mgxs_path).is_file() or overwrite_mgxs_library: if method == "infinite_medium": self._generate_infinite_medium_mgxs( - groups, nparticles, mgxs_path, correction, tmpdir, source_energy, - temperatures, temperature_settings, settings) + groups, settings, mgxs_path, correction, tmpdir, + source_energy, temperatures) elif method == "material_wise": self._generate_material_wise_mgxs( - groups, nparticles, mgxs_path, correction, tmpdir, - temperatures, temperature_settings, weight_windows_file, - settings) + groups, settings, mgxs_path, correction, tmpdir, + temperatures, weight_windows_file) elif method == "stochastic_slab": self._generate_stochastic_slab_mgxs( - groups, nparticles, mgxs_path, correction, tmpdir, source_energy, - temperatures, temperature_settings, settings) + groups, settings, mgxs_path, correction, tmpdir, + source_energy, temperatures) else: raise ValueError( f'MGXS generation method "{method}" not recognized') diff --git a/openmc/settings.py b/openmc/settings.py index 81ade606300..8120eb073e6 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -1,5 +1,4 @@ from collections.abc import Iterable, Mapping, MutableSequence, Sequence -import copy from enum import Enum import itertools from math import ceil @@ -515,51 +514,6 @@ def __setattr__(self, name: str, value): warnings.warn(msg, stacklevel=2) super().__setattr__(name, value) - def update(self, other: 'Settings'): - """Update this object with all populated attributes of another instance. - - Every attribute of `other` that has been populated -- i.e., that is - not None and not an empty collection -- is copied to this object, - overwriting any existing value. Attributes that were never set on - `other` leave the corresponding attribute of this object untouched. - This allows a sparsely-populated Settings object to be applied as a - set of overrides on top of fully-populated defaults. - - Note that :attr:`run_mode` always carries a value, so an explicitly - assigned 'eigenvalue' run mode cannot be distinguished from the - default; the run mode is therefore only copied from `other` when it - differs from 'eigenvalue'. - - .. versionadded:: 0.15.4 - - Parameters - ---------- - other : openmc.Settings - Settings object whose populated attributes are applied to this - object. - - """ - cv.check_type('other', other, Settings) - for name, value in vars(other).items(): - # run_mode defaults to 'eigenvalue' rather than to an "unset" - # state, so only a non-default value is detectable (see note in - # the docstring). - if name == '_run_mode': - if value is not RunMode.EIGENVALUE: - self._run_mode = value - continue - - # None or an empty collection means the attribute was never set - # on `other` -- the same convention to_xml_element() relies on - # to decide which elements to export. - if value is None or (hasattr(value, '__len__') and len(value) == 0): - continue - - # Values on `other` were already validated by its property - # setters; deepcopy so later mutations of `other` cannot leak - # into this object. - setattr(self, name, copy.deepcopy(value)) - @property def run_mode(self) -> str: return self._run_mode.value diff --git a/tests/regression_tests/random_ray_auto_convert/test.py b/tests/regression_tests/random_ray_auto_convert/test.py index 99a931dce86..a1570c64bea 100644 --- a/tests/regression_tests/random_ray_auto_convert/test.py +++ b/tests/regression_tests/random_ray_auto_convert/test.py @@ -26,8 +26,10 @@ def test_random_ray_auto_convert(method): model = pwr_pin_cell() # Convert to a multi-group model + mgxs_settings = model.mgxs_generation_settings(method) + mgxs_settings.particles = 100 model.convert_to_multigroup( - method=method, groups='CASMO-2', nparticles=100, + method=method, groups='CASMO-2', settings=mgxs_settings, overwrite_mgxs_library=False, mgxs_path="mgxs.h5" ) diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py index 52b15c0c7b3..b20c722919b 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py @@ -1,5 +1,6 @@ import copy import os +from pathlib import Path import numpy as np import openmc @@ -71,18 +72,22 @@ def test_random_ray_auto_convert_bootstrap(): # Generate weight windows covering the whole problem with the # stochastic_slab method and a random ray FW-CADIS solve slab_model = copy.deepcopy(model) + slab_settings = slab_model.mgxs_generation_settings('stochastic_slab') + slab_settings.particles = 50 slab_model.convert_to_multigroup( - method='stochastic_slab', groups=GROUPS, nparticles=50, + method='stochastic_slab', groups=GROUPS, settings=slab_settings, overwrite_mgxs_library=True, mgxs_path='mgxs.h5') generate_weight_windows(slab_model, mesh) # Bootstrap the material-wise MGXS generation with those weight windows, # then regenerate the weight windows from the higher-fidelity library boot_model = copy.deepcopy(model) + boot_settings = boot_model.mgxs_generation_settings('material_wise') + boot_settings.particles = 1 boot_model.convert_to_multigroup( - method='material_wise', groups=GROUPS, nparticles=1, + method='material_wise', groups=GROUPS, settings=boot_settings, overwrite_mgxs_library=True, mgxs_path='mgxs.h5', - weight_windows_file='weight_windows.h5') + weight_windows_file=Path('weight_windows.h5').resolve()) generate_weight_windows(boot_model, mesh) # Run the continuous energy model with the improved weight windows, diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py b/tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py index 6decf165a7f..3f2468532ef 100644 --- a/tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py +++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py @@ -26,8 +26,10 @@ def test_random_ray_auto_convert(method): model = pwr_pin_cell() # Convert to a multi-group model + mgxs_settings = model.mgxs_generation_settings(method) + mgxs_settings.particles = 100 model.convert_to_multigroup( - method=method, groups='CASMO-2', nparticles=100, + method=method, groups='CASMO-2', settings=mgxs_settings, overwrite_mgxs_library=False, mgxs_path="mgxs.h5" ) diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/test.py b/tests/regression_tests/random_ray_auto_convert_source_energy/test.py index bb9119d8953..bfea6ae9f92 100644 --- a/tests/regression_tests/random_ray_auto_convert_source_energy/test.py +++ b/tests/regression_tests/random_ray_auto_convert_source_energy/test.py @@ -37,8 +37,10 @@ def test_random_ray_auto_convert_source_energy(method, source_type): source_energy = openmc.stats.delta_function(1.0e4) # Convert to a multi-group model + mgxs_settings = model.mgxs_generation_settings(method) + mgxs_settings.particles = 100 model.convert_to_multigroup( - method=method, groups='CASMO-8', nparticles=100, + method=method, groups='CASMO-8', settings=mgxs_settings, overwrite_mgxs_library=False, mgxs_path="mgxs.h5", source_energy=source_energy ) diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/test.py b/tests/regression_tests/random_ray_auto_convert_temperature/test.py index 99c99e6147f..2cd7133e5c1 100644 --- a/tests/regression_tests/random_ray_auto_convert_temperature/test.py +++ b/tests/regression_tests/random_ray_auto_convert_temperature/test.py @@ -33,10 +33,13 @@ def test_random_ray_auto_convert(method): } # Convert to a multi-group model + mgxs_settings = model.mgxs_generation_settings(method) + mgxs_settings.particles = 100 + mgxs_settings.temperature = temp_settings model.convert_to_multigroup( - method=method, groups='CASMO-2', nparticles=100, + method=method, groups='CASMO-2', settings=mgxs_settings, overwrite_mgxs_library=False, mgxs_path="mgxs.h5", - temperatures=[294.0, 394.0], temperature_settings=temp_settings + temperatures=[294.0, 394.0] ) # Convert to a random ray model diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/test.py b/tests/regression_tests/random_ray_diagonal_stabilization/test.py index 8d36e1d2581..08d8a50847b 100644 --- a/tests/regression_tests/random_ray_diagonal_stabilization/test.py +++ b/tests/regression_tests/random_ray_diagonal_stabilization/test.py @@ -22,8 +22,10 @@ def test_random_ray_diagonal_stabilization(): # and transport correction enabled. This will generate # MGXS data with some negatives on the diagonal, in order # to trigger diagonal correction. + mgxs_settings = model.mgxs_generation_settings('material_wise') + mgxs_settings.particles = 13 model.convert_to_multigroup( - method='material_wise', groups='CASMO-70', nparticles=13, + method='material_wise', groups='CASMO-70', settings=mgxs_settings, overwrite_mgxs_library=True, mgxs_path="mgxs.h5", correction='P0' ) diff --git a/tests/unit_tests/dagmc/test_convert_to_multigroup.py b/tests/unit_tests/dagmc/test_convert_to_multigroup.py index 069dc658e52..4d6243c7cc3 100644 --- a/tests/unit_tests/dagmc/test_convert_to_multigroup.py +++ b/tests/unit_tests/dagmc/test_convert_to_multigroup.py @@ -42,10 +42,12 @@ def test_convert_to_multigroup_without_particles_batches(run_in_tmpdir): # This should work without requiring particles/batches to be set # convert_to_multigroup handles initialization internally using non-transport mode + mgxs_settings = model.mgxs_generation_settings('material_wise') + mgxs_settings.particles = 10 model.convert_to_multigroup( method='material_wise', groups='CASMO-2', - nparticles=10, + settings=mgxs_settings, overwrite_mgxs_library=True ) diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py index 53a559958e2..f510f3dd3ee 100644 --- a/tests/unit_tests/test_model.py +++ b/tests/unit_tests/test_model.py @@ -1089,8 +1089,8 @@ def _steel_water_model(): def _capture_generation_settings(monkeypatch, model, **kwargs): - """Return the resolved Settings of the MGXS generation run by capturing - the generation model just before transport would start.""" + """Return the Settings of the MGXS generation run by capturing the + generation model just before transport would start.""" captured = {} def fake_auto_generate(gen_model, groups, correction, directory): @@ -1104,43 +1104,72 @@ def fake_auto_generate(gen_model, groups, correction, directory): return captured['settings'] +def test_mgxs_generation_settings(): + model = _steel_water_model() + model.settings.run_mode = 'fixed source' + model.settings.photon_transport = True + model.settings.particles = 50 # tuned for the final multigroup solve + model.settings.temperature = {'method': 'interpolation'} + + # material_wise: the model's own settings plus the generation defaults + s = model.mgxs_generation_settings('material_wise') + assert s.batches == 200 + assert s.inactive == 100 + assert s.particles == 2000 + assert s.output == {'summary': True, 'tallies': False} + assert s.run_mode == 'fixed source' + assert s.photon_transport is True + assert s.temperature == {'method': 'interpolation'} + + # The returned object is a copy: modifying it leaves the model untouched + s.particles = 100_000 + assert model.settings.particles == 50 + + # Surrogate methods: fresh settings that only inherit the temperature + for method, batches in (('stochastic_slab', 200), ('infinite_medium', 100)): + s = model.mgxs_generation_settings(method) + assert s.batches == batches + assert s.particles == 2000 + assert s.run_mode == 'fixed source' + assert s.create_fission_neutrons is False + assert s.temperature == {'method': 'interpolation'} + assert s.photon_transport is None + + with pytest.raises(ValueError): + model.mgxs_generation_settings('not_a_method') + + def test_convert_to_multigroup_settings_material_wise(run_in_tmpdir, monkeypatch): model = _steel_water_model() model.settings.run_mode = 'fixed source' model.settings.source = openmc.IndependentSource(space=openmc.stats.Point()) model.settings.photon_transport = True - user = openmc.Settings(particles=12345, seed=7) + user = model.mgxs_generation_settings('material_wise') + user.particles = 12345 + user.seed = 7 gen = _capture_generation_settings( monkeypatch, model, method='material_wise', settings=user) - # User-populated attributes take precedence + # The provided settings are used verbatim... assert gen.particles == 12345 assert gen.seed == 7 - # Generation defaults fill whatever the user left unset assert gen.batches == 200 assert gen.inactive == 100 assert gen.output == {'summary': True, 'tallies': False} - # The model's own settings pass through where not overridden + # ...including the model settings baked in by mgxs_generation_settings() + assert gen.run_mode == 'fixed source' assert gen.photon_transport is True assert len(gen.source) == 1 - # The run mode comes from the model even though the user's sparse - # settings object carries the constructor default of 'eigenvalue' - assert gen.run_mode == 'fixed source' - # The caller's settings object is never mutated - assert user.batches is None - assert user.run_mode == 'eigenvalue' def test_convert_to_multigroup_settings_stochastic_slab(run_in_tmpdir, monkeypatch): model = _steel_water_model() - user = openmc.Settings() + user = model.mgxs_generation_settings('stochastic_slab') user.particles = 999 user.batches = 50 - user.inactive = 20 user.max_history_splits = 42 - user.run_mode = 'volume' # owned by the method: ignored user.source = openmc.IndependentSource(space=openmc.stats.Point()) with pytest.warns(UserWarning, match='constructs its own'): @@ -1149,78 +1178,91 @@ def test_convert_to_multigroup_settings_stochastic_slab(run_in_tmpdir, monkeypat assert gen.particles == 999 assert gen.batches == 50 - assert gen.inactive == 20 assert gen.max_history_splits == 42 - # Method-owned attributes cannot be overridden: the run mode and sources - # are forced, and the user's source was discarded with a warning + # The method constructs its own source and run mode; the user's source + # was discarded with a warning assert gen.run_mode == 'fixed source' assert gen.create_fission_neutrons is False assert len(gen.source) > 0 assert all(s is not user.source[0] for s in gen.source) - - -def test_convert_to_multigroup_settings_infinite_medium(run_in_tmpdir, monkeypatch): - model = _steel_water_model() - - gen = _capture_generation_settings( - monkeypatch, model, method='infinite_medium', - settings=openmc.Settings(particles=777)) - - assert gen.particles == 777 - assert gen.batches == 100 - assert gen.run_mode == 'fixed source' - assert gen.create_fission_neutrons is False + # The caller's object is never mutated + assert len(user.source) == 1 def test_convert_to_multigroup_settings_weight_windows(run_in_tmpdir, monkeypatch): model = _steel_water_model() - Path('ww.h5').touch() + ww_path = Path('ww.h5').resolve() + ww_path.touch() - user = openmc.Settings() - user.weight_windows_file = 'ww.h5' + user = model.mgxs_generation_settings('material_wise') + user.weight_windows_file = ww_path gen = _capture_generation_settings( monkeypatch, model, method='material_wise', settings=user) # A weight windows file given via settings goes through the same handling - # as the weight_windows_file argument: resolved to an absolute path and - # weight windows turned on - assert Path(gen.weight_windows_file).is_absolute() - assert Path(gen.weight_windows_file).name == 'ww.h5' + # as the weight_windows_file argument: validated for existence and + # applied to the generation run with weight windows turned on + assert gen.weight_windows_file == ww_path assert gen.weight_windows_on is True + # The caller's object is never mutated + assert user.weight_windows_file == ww_path -def test_convert_to_multigroup_settings_conflicts(run_in_tmpdir): +def test_convert_to_multigroup_settings_validation(run_in_tmpdir): model = _steel_water_model() with pytest.raises(TypeError): model.convert_to_multigroup(settings={'particles': 100}) - with pytest.raises(ValueError, match='nparticles'): - model.convert_to_multigroup( - nparticles=1000, settings=openmc.Settings(particles=2000)) - - with pytest.raises(ValueError, match='temperature_settings'): + # A hand-built settings object missing attributes required for any + # transport run is rejected with a pointer to the defaults + with pytest.raises(ValueError, match='mgxs_generation_settings'): + model.convert_to_multigroup(settings=openmc.Settings(particles=5000)) + + # The deprecated arguments cannot be combined with settings + settings = model.mgxs_generation_settings() + with pytest.raises(ValueError, match='deprecated'), \ + pytest.warns(FutureWarning): + model.convert_to_multigroup(nparticles=1000, settings=settings) + with pytest.raises(ValueError, match='deprecated'), \ + pytest.warns(FutureWarning): model.convert_to_multigroup( temperature_settings={'method': 'interpolation'}, - settings=openmc.Settings(temperature={'method': 'interpolation'})) + settings=settings) + # A weight windows file cannot be given both ways Path('ww.h5').touch() - user = openmc.Settings() - user.weight_windows_file = 'ww.h5' + settings = model.mgxs_generation_settings() + settings.weight_windows_file = 'ww.h5' with pytest.raises(ValueError, match='weight_windows_file'): - model.convert_to_multigroup(weight_windows_file='ww.h5', settings=user) + model.convert_to_multigroup(weight_windows_file='ww.h5', + settings=settings) -def test_convert_to_multigroup_settings_inactive_guard(run_in_tmpdir, monkeypatch): - # Setting batches below the default number of inactive batches without - # also setting inactive raises a helpful error for eigenvalue models +def test_convert_to_multigroup_deprecated_args(run_in_tmpdir, monkeypatch): + # The deprecated arguments still work, with a FutureWarning model = _steel_water_model() + with pytest.warns(FutureWarning, match='deprecated'): + gen = _capture_generation_settings( + monkeypatch, model, method='stochastic_slab', nparticles=1234, + temperature_settings={'method': 'interpolation'}) + assert gen.particles == 1234 + assert gen.temperature == {'method': 'interpolation'} + assert gen.batches == 200 # generation default unchanged + + +def test_convert_to_multigroup_materials_from_geometry(run_in_tmpdir, monkeypatch): + # A model whose materials are only referenced through the geometry gets + # its materials collection populated (sorted by ID) for the conversion + model = _steel_water_model() + model.materials = openmc.Materials() + ids = sorted(model.geometry.get_all_materials()) def fake_auto_generate(gen_model, groups, correction, directory): raise _GenerationCaptured() monkeypatch.setattr(openmc.Model, '_auto_generate_mgxs_lib', fake_auto_generate) - with pytest.raises(ValueError, match='inactive'): - model.convert_to_multigroup( - method='material_wise', settings=openmc.Settings(batches=50)) + with pytest.raises(_GenerationCaptured): + model.convert_to_multigroup(method='stochastic_slab') + assert [m.id for m in model.materials] == ids diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py index bd5947c2146..bdb3ea8fe9f 100644 --- a/tests/unit_tests/test_settings.py +++ b/tests/unit_tests/test_settings.py @@ -246,66 +246,3 @@ def test_properties_file_load(tmp_path, mpi_intracomm): assert mat.get_density('atom/b-cm') == pytest.approx( orig_density * density_factor, rel=1e-5 ) - - -def test_settings_update(): - base = openmc.Settings() - base.batches = 100 - base.inactive = 10 - base.particles = 1000 - base.photon_transport = True - base.output = {'summary': False} - base.source = openmc.IndependentSource(space=openmc.stats.Point()) - - overrides = openmc.Settings() - overrides.particles = 5000 - overrides.seed = 7 - overrides.output = {'tallies': True} - - base.update(overrides) - - # Populated attributes overwrite the base values - assert base.particles == 5000 - assert base.seed == 7 - assert base.output == {'tallies': True} - - # Unpopulated attributes (None or empty collections) leave the base - # values untouched - assert base.batches == 100 - assert base.inactive == 10 - assert base.photon_transport is True - assert len(base.source) == 1 - - # Copied values are deep copies: mutating the source object afterwards - # does not affect the updated object - overrides.output['tallies'] = False - assert base.output == {'tallies': True} - - with pytest.raises(TypeError): - base.update({'particles': 100}) - - -def test_settings_update_run_mode(): - # A non-default run mode is copied over... - base = openmc.Settings() - base.update(openmc.Settings(run_mode='fixed source')) - assert base.run_mode == 'fixed source' - - # ...but 'eigenvalue' is indistinguishable from the default and is not - base = openmc.Settings(run_mode='fixed source') - base.update(openmc.Settings(run_mode='eigenvalue')) - assert base.run_mode == 'fixed source' - - -def test_settings_update_unset_detection(): - # update() infers "never set" from a value of None or an empty - # collection. If this assertion fails, a new Settings attribute was - # given a default that update() cannot distinguish from a user-assigned - # value: either make the attribute default to None/empty or special-case - # it in update() the way run_mode is. - populated = { - name for name, value in vars(openmc.Settings()).items() - if value is not None - and not (hasattr(value, '__len__') and len(value) == 0) - } - assert populated == {'_run_mode'} diff --git a/tests/unit_tests/weightwindows/test_ww_gen.py b/tests/unit_tests/weightwindows/test_ww_gen.py index a4456e6809a..fbb316860b2 100644 --- a/tests/unit_tests/weightwindows/test_ww_gen.py +++ b/tests/unit_tests/weightwindows/test_ww_gen.py @@ -363,10 +363,12 @@ def test_ww_generation_with_dagmc(run_in_tmpdir): rr_model = copy.deepcopy(model) rr_model.settings.inactive = 3 + mgxs_settings = rr_model.mgxs_generation_settings("stochastic_slab") + mgxs_settings.particles = 10 rr_model.convert_to_multigroup( method="stochastic_slab", overwrite_mgxs_library=True, - nparticles=10, + settings=mgxs_settings, groups="CASMO-2" ) From edb836acc6df55edec9dbc266e99233213ded0af Mon Sep 17 00:00:00 2001 From: John Tramm Date: Tue, 7 Jul 2026 21:19:25 +0000 Subject: [PATCH 18/22] Remove redundant weight windows path handling in convert_to_multigroup The Settings.weight_windows_file setter already applies input_path() when the file is assigned to the generation settings, and a missing file is reported at initialization of the generation run. Co-Authored-By: Claude Fable 5 --- openmc/model/model.py | 30 +++++++++--------------------- tests/unit_tests/test_model.py | 6 ++---- 2 files changed, 11 insertions(+), 25 deletions(-) diff --git a/openmc/model/model.py b/openmc/model/model.py index ac73f94fd7b..8478bef99f3 100644 --- a/openmc/model/model.py +++ b/openmc/model/model.py @@ -24,7 +24,7 @@ from openmc.checkvalue import check_type, check_value, PathLike from openmc.exceptions import InvalidIDError from openmc.plots import add_plot_params, _BASIS_INDICES, id_map_to_rgb -from openmc.utility_funcs import change_directory, input_path +from openmc.utility_funcs import change_directory # Protocol for a function that is passed to search_keff @@ -2840,7 +2840,7 @@ def convert_to_multigroup( settings = copy.deepcopy(settings) # A weight windows file given via settings is funneled through - # the same validation and path resolution as the argument below + # the same handling as the argument below if settings.weight_windows_file is not None: if weight_windows_file is not None: raise ValueError( @@ -2862,25 +2862,13 @@ def convert_to_multigroup( # that geometry). The "stochastic_slab" and "infinite_medium" methods # use simplified surrogate geometries for which the provided weight # windows are neither applicable nor needed. - if weight_windows_file is not None: - if method == "material_wise": - # Normalize the path in the same way as the - # Settings.weight_windows_file setter (resolved to an absolute - # path by default) and verify that it exists, since the - # generation run occurs in a temporary directory - weight_windows_file = input_path(weight_windows_file) - if not weight_windows_file.is_file(): - raise FileNotFoundError( - f'Weight windows file "{weight_windows_file}" could ' - 'not be found.' - ) - else: - warnings.warn( - 'The "weight_windows_file" argument is only applicable to ' - 'the "material_wise" MGXS generation method and will be ' - f'ignored for the "{method}" method.' - ) - weight_windows_file = None + if weight_windows_file is not None and method != "material_wise": + warnings.warn( + 'The "weight_windows_file" argument is only applicable to ' + 'the "material_wise" MGXS generation method and will be ' + f'ignored for the "{method}" method.' + ) + weight_windows_file = None # Do all work (including MGXS generation) in a temporary directory # to avoid polluting the working directory with residual XML files diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py index f510f3dd3ee..da0579f3b55 100644 --- a/tests/unit_tests/test_model.py +++ b/tests/unit_tests/test_model.py @@ -1192,7 +1192,6 @@ def test_convert_to_multigroup_settings_stochastic_slab(run_in_tmpdir, monkeypat def test_convert_to_multigroup_settings_weight_windows(run_in_tmpdir, monkeypatch): model = _steel_water_model() ww_path = Path('ww.h5').resolve() - ww_path.touch() user = model.mgxs_generation_settings('material_wise') user.weight_windows_file = ww_path @@ -1200,8 +1199,8 @@ def test_convert_to_multigroup_settings_weight_windows(run_in_tmpdir, monkeypatc monkeypatch, model, method='material_wise', settings=user) # A weight windows file given via settings goes through the same handling - # as the weight_windows_file argument: validated for existence and - # applied to the generation run with weight windows turned on + # as the weight_windows_file argument: applied to the generation run with + # weight windows turned on assert gen.weight_windows_file == ww_path assert gen.weight_windows_on is True # The caller's object is never mutated @@ -1231,7 +1230,6 @@ def test_convert_to_multigroup_settings_validation(run_in_tmpdir): settings=settings) # A weight windows file cannot be given both ways - Path('ww.h5').touch() settings = model.mgxs_generation_settings() settings.weight_windows_file = 'ww.h5' with pytest.raises(ValueError, match='weight_windows_file'): From 60ba8a99ffcbe3a2f0f99ed72876779716e1e63a Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 8 Jul 2026 01:15:17 +0000 Subject: [PATCH 19/22] Remove weight_windows_file argument in favor of settings.weight_windows_file Since the generation settings object can carry weight_windows_file directly, the separate argument (new in this PR, so removable without deprecation) is redundant. A file on the resolved generation settings is now applied during the material_wise solve (weight_windows_on is enabled automatically) and ignored with a warning for the surrogate-geometry methods. Co-Authored-By: Claude Fable 5 --- docs/source/usersguide/random_ray.rst | 26 ++-- openmc/model/model.py | 112 ++++++------------ .../random_ray_auto_convert_bootstrap/test.py | 4 +- tests/unit_tests/test_model.py | 22 ++-- 4 files changed, 64 insertions(+), 100 deletions(-) diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst index e2ca8061566..a87a66a76e0 100644 --- a/docs/source/usersguide/random_ray.rst +++ b/docs/source/usersguide/random_ray.rst @@ -671,8 +671,8 @@ of these methods is given below: - * Potentially slower as the full geometry must be run * If a material is only present far from the source and doesn't get tallied to in the CE simulation, the MGXS will be zero for that material. This - can be mitigated by supplying weight windows via the - ``weight_windows_file`` argument (see :ref:`mgxs_bootstrap`). + can be mitigated by supplying weight windows via the generation + settings (see :ref:`mgxs_bootstrap`). * - ``stochastic_slab`` - * Medium Fidelity * Runs a CE simulation with a greatly simplified geometry, where materials @@ -788,9 +788,9 @@ windows are generated using the ``"stochastic_slab"`` method (which produces cross sections for *all* materials regardless of their location) together with the random ray solver and a :class:`~openmc.WeightWindowGenerator`, exactly as described in the :ref:`FW-CADIS user guide `. The resulting -``weight_windows.h5`` file is then passed to a second, higher fidelity -``"material_wise"`` cross section generation via the ``weight_windows_file`` -argument:: +``weight_windows.h5`` file is then supplied to a second, higher fidelity +``"material_wise"`` cross section generation by setting ``weight_windows_file`` +on the generation settings:: # First, generate weight windows with the stochastic slab method and random # ray (see the FW-CADIS user guide), producing a weight_windows.h5 file. @@ -799,18 +799,20 @@ argument:: # Then, bootstrap a higher fidelity material-wise library, applying those # weight windows during the continuous energy solve so that particles can # reach materials far from the source. + settings = model.mgxs_generation_settings(method="material_wise") + settings.weight_windows_file = "weight_windows.h5" model.convert_to_multigroup( method="material_wise", - weight_windows_file="weight_windows.h5", + settings=settings, overwrite_mgxs_library=True, ) -The ``weight_windows_file`` argument is only used with the ``"material_wise"`` -method, as the ``"stochastic_slab"`` and ``"infinite_medium"`` methods use -simplified surrogate geometries that are incompatible with a weight window mesh -defined over the original geometry (and do not need weight windows, since they -already tally all materials). A warning is issued and the argument is ignored if -it is supplied to another method. +A weight windows file on the generation settings is only used with the +``"material_wise"`` method, as the ``"stochastic_slab"`` and +``"infinite_medium"`` methods use simplified surrogate geometries that are +incompatible with a weight window mesh defined over the original geometry (and +do not need weight windows, since they already tally all materials). A warning +is issued and the file is ignored if it is supplied to another method. ~~~~~~~~~~~~ The Hard Way diff --git a/openmc/model/model.py b/openmc/model/model.py index 8478bef99f3..48f4bfb82eb 100644 --- a/openmc/model/model.py +++ b/openmc/model/model.py @@ -2478,7 +2478,6 @@ def _isothermal_materialwise_mgxs( correction: str | None, directory: PathLike, temperature: float | None = None, - weight_windows_file: PathLike | None = None, ) -> dict[str, openmc.XSdata]: """Generate a material-wise MGXS library for the model by running the original continuous energy OpenMC simulation. If a temperature is @@ -2505,10 +2504,6 @@ def _isothermal_materialwise_mgxs( The isothermal temperature value to apply to the materials in the input model. If not specified, defaults to the temperatures in the materials. - weight_windows_file : PathLike, optional - Path to a weight windows file to load and apply during the - continuous energy solve. See :meth:`Model.convert_to_multigroup` - for details. Returns ------- @@ -2525,14 +2520,6 @@ def _isothermal_materialwise_mgxs( # The provided settings are used verbatim model.settings = copy.deepcopy(settings) - # If a weight window file was provided, load and apply the weight - # windows during the continuous energy solve. This allows materials far - # from the source -- which an analog simulation may struggle to reach -- - # to still be tallied, and thus obtain nonzero cross sections. - if weight_windows_file is not None: - model.settings.weight_windows_file = weight_windows_file - model.settings.weight_windows_on = True - # Generate MGXS mgxs_lib = Model._auto_generate_mgxs_lib( model, groups, correction, directory) @@ -2558,7 +2545,6 @@ def _generate_material_wise_mgxs( correction: str | None, directory: PathLike, temperatures: Sequence[float] | None = None, - weight_windows_file: PathLike | None = None, ) -> None: """Generate a material-wise MGXS library for the model by running the original continuous energy OpenMC simulation of the full material @@ -2587,20 +2573,10 @@ def _generate_material_wise_mgxs( A list of temperatures to generate MGXS at. Each infinite material region is isothermal at a given temperature data point for cross section generation. - weight_windows_file : PathLike, optional - Path to a weight windows file to load and apply during the - continuous energy solve. See :meth:`Model.convert_to_multigroup` - for details. """ if temperatures is None: mgxs_sets = Model._isothermal_materialwise_mgxs( - self, - groups, - settings, - correction, - directory, - weight_windows_file=weight_windows_file - ).values() + self, groups, settings, correction, directory).values() # Write the file to disk. mgxs_file = openmc.MGXSLibrary(energy_groups=groups) @@ -2612,14 +2588,7 @@ def _generate_material_wise_mgxs( raw_mgxs_sets = {} for temperature in temperatures: raw_mgxs_sets[temperature] = Model._isothermal_materialwise_mgxs( - self, - groups, - settings, - correction, - directory, - temperature, - weight_windows_file=weight_windows_file - ) + self, groups, settings, correction, directory, temperature) # Unpack the isothermal XSData objects and build a single XSData object per material. mgxs_sets = [] @@ -2697,7 +2666,6 @@ def convert_to_multigroup( source_energy: openmc.stats.Univariate | None = None, temperatures: Sequence[float] | None = None, temperature_settings: dict | None = None, - weight_windows_file: PathLike | None = None, settings: openmc.Settings | None = None, ): """Convert all materials from continuous energy to multigroup. @@ -2760,21 +2728,6 @@ def convert_to_multigroup( .. deprecated:: 0.15.4 Set ``temperature`` on the object passed via the ``settings`` argument instead. - weight_windows_file : PathLike, optional - Path to a weight windows file (e.g., ``"weight_windows.h5"``) to - load and apply during the continuous energy MGXS generation - simulation. Applying weight windows allows the simulation to obtain - tallies -- and thus nonzero cross sections -- for materials located - far from the source, for example behind a thick shield, which an - analog simulation may be unable to reach. A typical use case is to - first generate weight windows with the ``"stochastic_slab"`` method - and the random ray solver, then "bootstrap" a higher-fidelity - ``"material_wise"`` library by passing those weight windows here. - This argument is only used with the ``"material_wise"`` method; a - warning is issued and the argument is ignored for the - ``"stochastic_slab"`` and ``"infinite_medium"`` methods. - - .. versionadded:: 0.15.4 settings : openmc.Settings, optional Settings used verbatim for the continuous energy simulation(s) that generate the MGXS library. If not provided, defaults are @@ -2783,9 +2736,20 @@ def convert_to_multigroup( result here. Note that the ``"stochastic_slab"`` and ``"infinite_medium"`` methods construct their own fixed source and set ``run_mode``, ``source``, and - ``create_fission_neutrons`` accordingly, and that a - ``weight_windows_file`` set on this object is handled exactly as - if it had been passed via the ``weight_windows_file`` argument. + ``create_fission_neutrons`` accordingly. If the settings include + a ``weight_windows_file`` (e.g., ``"weight_windows.h5"``), the + ``"material_wise"`` method loads and applies those weight + windows during the continuous energy generation simulation + (``weight_windows_on`` is enabled automatically). Applying + weight windows allows the simulation to obtain tallies -- and + thus nonzero cross sections -- for materials located far from + the source, for example behind a thick shield, which an analog + simulation may be unable to reach. A typical use case is to + first generate weight windows with the ``"stochastic_slab"`` + method and the random ray solver, then "bootstrap" a + higher-fidelity ``"material_wise"`` library by setting those + weight windows here; a warning is issued and the file is ignored + for the ``"stochastic_slab"`` and ``"infinite_medium"`` methods. Cannot be combined with the deprecated ``nparticles`` or ``temperature_settings`` arguments. @@ -2839,16 +2803,6 @@ def convert_to_multigroup( 'rather than building a Settings object from scratch.') settings = copy.deepcopy(settings) - # A weight windows file given via settings is funneled through - # the same handling as the argument below - if settings.weight_windows_file is not None: - if weight_windows_file is not None: - raise ValueError( - 'Only one of the "weight_windows_file" argument and ' - '"settings.weight_windows_file" may be specified.') - weight_windows_file = settings.weight_windows_file - settings.weight_windows_file = None - # The surrogate-geometry methods construct their own sources if method != "material_wise" and len(settings.source) > 0: warnings.warn( @@ -2856,19 +2810,25 @@ def convert_to_multigroup( f'"{method}" MGXS generation method, which constructs ' 'its own sources.') - # Weight windows are only applicable to the "material_wise" method, - # which runs a continuous energy simulation of the original geometry - # (and is therefore compatible with a weight window mesh defined over - # that geometry). The "stochastic_slab" and "infinite_medium" methods - # use simplified surrogate geometries for which the provided weight - # windows are neither applicable nor needed. - if weight_windows_file is not None and method != "material_wise": - warnings.warn( - 'The "weight_windows_file" argument is only applicable to ' - 'the "material_wise" MGXS generation method and will be ' - f'ignored for the "{method}" method.' - ) - weight_windows_file = None + # A weight windows file on the generation settings is loaded and + # applied during the "material_wise" method's continuous energy + # simulation of the original geometry, allowing materials far from + # the source -- which an analog simulation may struggle to reach -- + # to still be tallied, and thus obtain nonzero cross sections. The + # "stochastic_slab" and "infinite_medium" methods use simplified + # surrogate geometries for which weight windows defined over the + # original geometry are neither applicable nor needed. + if settings.weight_windows_file is not None: + if method == "material_wise": + settings.weight_windows_on = True + else: + warnings.warn( + 'The weight windows file set on the generation settings ' + 'is only applicable to the "material_wise" MGXS ' + f'generation method and will be ignored for the ' + f'"{method}" method.' + ) + settings.weight_windows_file = None # Do all work (including MGXS generation) in a temporary directory # to avoid polluting the working directory with residual XML files @@ -2910,7 +2870,7 @@ def convert_to_multigroup( elif method == "material_wise": self._generate_material_wise_mgxs( groups, settings, mgxs_path, correction, tmpdir, - temperatures, weight_windows_file) + temperatures) elif method == "stochastic_slab": self._generate_stochastic_slab_mgxs( groups, settings, mgxs_path, correction, tmpdir, diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py index b20c722919b..61bec024551 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py @@ -84,10 +84,10 @@ def test_random_ray_auto_convert_bootstrap(): boot_model = copy.deepcopy(model) boot_settings = boot_model.mgxs_generation_settings('material_wise') boot_settings.particles = 1 + boot_settings.weight_windows_file = Path('weight_windows.h5').resolve() boot_model.convert_to_multigroup( method='material_wise', groups=GROUPS, settings=boot_settings, - overwrite_mgxs_library=True, mgxs_path='mgxs.h5', - weight_windows_file=Path('weight_windows.h5').resolve()) + overwrite_mgxs_library=True, mgxs_path='mgxs.h5') generate_weight_windows(boot_model, mesh) # Run the continuous energy model with the improved weight windows, diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py index da0579f3b55..fe63fdcbda3 100644 --- a/tests/unit_tests/test_model.py +++ b/tests/unit_tests/test_model.py @@ -1198,13 +1198,22 @@ def test_convert_to_multigroup_settings_weight_windows(run_in_tmpdir, monkeypatc gen = _capture_generation_settings( monkeypatch, model, method='material_wise', settings=user) - # A weight windows file given via settings goes through the same handling - # as the weight_windows_file argument: applied to the generation run with - # weight windows turned on + # A weight windows file on the generation settings is applied to the + # "material_wise" generation run with weight windows turned on assert gen.weight_windows_file == ww_path assert gen.weight_windows_on is True # The caller's object is never mutated assert user.weight_windows_file == ww_path + assert user.weight_windows_on is None + + # The surrogate-geometry methods ignore the file with a warning + user = model.mgxs_generation_settings('stochastic_slab') + user.weight_windows_file = ww_path + with pytest.warns(UserWarning, match='material_wise'): + gen = _capture_generation_settings( + monkeypatch, model, method='stochastic_slab', settings=user) + assert gen.weight_windows_file is None + assert user.weight_windows_file == ww_path def test_convert_to_multigroup_settings_validation(run_in_tmpdir): @@ -1229,13 +1238,6 @@ def test_convert_to_multigroup_settings_validation(run_in_tmpdir): temperature_settings={'method': 'interpolation'}, settings=settings) - # A weight windows file cannot be given both ways - settings = model.mgxs_generation_settings() - settings.weight_windows_file = 'ww.h5' - with pytest.raises(ValueError, match='weight_windows_file'): - model.convert_to_multigroup(weight_windows_file='ww.h5', - settings=settings) - def test_convert_to_multigroup_deprecated_args(run_in_tmpdir, monkeypatch): # The deprecated arguments still work, with a FutureWarning From e75a461b1b01a3a48d57e079c6de77787ec8858f Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 8 Jul 2026 02:48:17 +0000 Subject: [PATCH 20/22] Drop redundant method= from doc examples (material_wise is the default) Co-Authored-By: Claude Fable 5 --- docs/source/usersguide/random_ray.rst | 12 ++++-------- 1 file changed, 4 insertions(+), 8 deletions(-) diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst index a87a66a76e0..55177aab817 100644 --- a/docs/source/usersguide/random_ray.rst +++ b/docs/source/usersguide/random_ray.rst @@ -706,9 +706,9 @@ modify them as desired, and pass the result back. For example, the number of particles per batch (2,000 by default) can be increased to improve the fidelity of the generated cross section library as:: - settings = model.mgxs_generation_settings(method="material_wise") + settings = model.mgxs_generation_settings() settings.particles = 100_000 - model.convert_to_multigroup(method="material_wise", settings=settings) + model.convert_to_multigroup(settings=settings) .. note:: MGXS transport correction (via setting the ``correction`` parameter in the @@ -799,13 +799,9 @@ on the generation settings:: # Then, bootstrap a higher fidelity material-wise library, applying those # weight windows during the continuous energy solve so that particles can # reach materials far from the source. - settings = model.mgxs_generation_settings(method="material_wise") + settings = model.mgxs_generation_settings() settings.weight_windows_file = "weight_windows.h5" - model.convert_to_multigroup( - method="material_wise", - settings=settings, - overwrite_mgxs_library=True, - ) + model.convert_to_multigroup(settings=settings, overwrite_mgxs_library=True) A weight windows file on the generation settings is only used with the ``"material_wise"`` method, as the ``"stochastic_slab"`` and From 550fe2b11a0ab512321fc3e3b8061bcf05008fc0 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 8 Jul 2026 03:03:15 +0000 Subject: [PATCH 21/22] Default convert_to_multigroup method to the one its settings were built for mgxs_generation_settings() records its method on the returned object, so convert_to_multigroup(settings=...) no longer requires repeating the method, and an explicitly given method that conflicts with the settings is rejected rather than silently running with mismatched defaults. Co-Authored-By: Claude Fable 5 --- docs/source/usersguide/random_ray.rst | 8 +++++ openmc/model/model.py | 31 +++++++++++++++++-- .../random_ray_auto_convert_bootstrap/test.py | 6 ++-- tests/unit_tests/test_model.py | 19 ++++++++++++ 4 files changed, 59 insertions(+), 5 deletions(-) diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst index 55177aab817..c793cf22ffb 100644 --- a/docs/source/usersguide/random_ray.rst +++ b/docs/source/usersguide/random_ray.rst @@ -710,6 +710,14 @@ of the generated cross section library as:: settings.particles = 100_000 model.convert_to_multigroup(settings=settings) +The settings returned by :meth:`openmc.Model.mgxs_generation_settings` record +the method they were generated for, so a non-default method only needs to be +given once:: + + settings = model.mgxs_generation_settings("stochastic_slab") + settings.particles = 100_000 + model.convert_to_multigroup(settings=settings) + .. note:: MGXS transport correction (via setting the ``correction`` parameter in the :meth:`openmc.Model.convert_to_multigroup` method to ``"P0"``) may diff --git a/openmc/model/model.py b/openmc/model/model.py index 48f4bfb82eb..94e20f5c2c6 100644 --- a/openmc/model/model.py +++ b/openmc/model/model.py @@ -2624,6 +2624,10 @@ def mgxs_generation_settings( settings.particles = 100_000 model.convert_to_multigroup(settings=settings) + The returned object records the method it was generated for, which + :meth:`Model.convert_to_multigroup` uses as its default ``method``, + so a non-default method only needs to be given here. + .. versionadded:: 0.15.4 Parameters @@ -2653,11 +2657,13 @@ def mgxs_generation_settings( settings.inactive = 100 settings.particles = 2000 settings.output = {'summary': True, 'tallies': False} + # Record the method so convert_to_multigroup can default to it + settings._mgxs_generation_method = method return settings def convert_to_multigroup( self, - method: str = "material_wise", + method: str | None = None, groups: str | Sequence[float] | openmc.mgxs.EnergyGroups = "CASMO-2", nparticles: int | None = None, overwrite_mgxs_library: bool = False, @@ -2676,7 +2682,11 @@ def convert_to_multigroup( Parameters ---------- method : {"material_wise", "stochastic_slab", "infinite_medium"}, optional - Method to generate the MGXS. + Method to generate the MGXS. If not given, defaults to the + method that the ``settings`` object was generated for by + :meth:`Model.mgxs_generation_settings`, or ``"material_wise"`` + otherwise. Giving a method here that conflicts with the one the + settings were generated for is an error. groups : openmc.mgxs.EnergyGroups, str, or sequence of float, optional Energy group structure for the MGXS. Can be an :class:`openmc.mgxs.EnergyGroups` object, a string name of a @@ -2758,6 +2768,23 @@ def convert_to_multigroup( if not isinstance(groups, openmc.mgxs.EnergyGroups): groups = openmc.mgxs.EnergyGroups(groups) + # Resolve the generation method: an explicit argument wins, otherwise + # the method the provided settings were generated for (recorded by + # mgxs_generation_settings) is used, defaulting to "material_wise". + # Conflicting specifications are rejected, since the generation + # defaults differ by method. + settings_method = getattr(settings, '_mgxs_generation_method', None) + if method is None: + method = settings_method or 'material_wise' + elif settings_method is not None and method != settings_method: + raise ValueError( + f'The "{method}" generation method conflicts with the ' + 'provided settings, which were generated for the ' + f'"{settings_method}" method by ' + 'Model.mgxs_generation_settings().') + check_value('method', method, + ('material_wise', 'stochastic_slab', 'infinite_medium')) + # The model may reference its materials only through the geometry. # The materials are converted in place and library-wide attributes # like cross_sections must persist on the model afterwards, so diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py index 61bec024551..6e43d86592c 100644 --- a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py +++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py @@ -75,18 +75,18 @@ def test_random_ray_auto_convert_bootstrap(): slab_settings = slab_model.mgxs_generation_settings('stochastic_slab') slab_settings.particles = 50 slab_model.convert_to_multigroup( - method='stochastic_slab', groups=GROUPS, settings=slab_settings, + groups=GROUPS, settings=slab_settings, overwrite_mgxs_library=True, mgxs_path='mgxs.h5') generate_weight_windows(slab_model, mesh) # Bootstrap the material-wise MGXS generation with those weight windows, # then regenerate the weight windows from the higher-fidelity library boot_model = copy.deepcopy(model) - boot_settings = boot_model.mgxs_generation_settings('material_wise') + boot_settings = boot_model.mgxs_generation_settings() boot_settings.particles = 1 boot_settings.weight_windows_file = Path('weight_windows.h5').resolve() boot_model.convert_to_multigroup( - method='material_wise', groups=GROUPS, settings=boot_settings, + groups=GROUPS, settings=boot_settings, overwrite_mgxs_library=True, mgxs_path='mgxs.h5') generate_weight_windows(boot_model, mesh) diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py index fe63fdcbda3..abc6a29ffd6 100644 --- a/tests/unit_tests/test_model.py +++ b/tests/unit_tests/test_model.py @@ -1216,6 +1216,25 @@ def test_convert_to_multigroup_settings_weight_windows(run_in_tmpdir, monkeypatc assert user.weight_windows_file == ww_path +def test_convert_to_multigroup_settings_method_recorded(run_in_tmpdir, + monkeypatch): + model = _steel_water_model() + + # Settings record the method they were generated for, so a non-default + # method only needs to be given to mgxs_generation_settings() + user = model.mgxs_generation_settings('stochastic_slab') + gen = _capture_generation_settings(monkeypatch, model, settings=user) + assert gen.run_mode == 'fixed source' + assert gen.create_fission_neutrons is False + # The stochastic slab generation constructs its own source, proving the + # slab method was dispatched + assert len(gen.source) > 0 + + # An explicit method that conflicts with the settings is rejected + with pytest.raises(ValueError, match='stochastic_slab'): + model.convert_to_multigroup(method='material_wise', settings=user) + + def test_convert_to_multigroup_settings_validation(run_in_tmpdir): model = _steel_water_model() From 37d15f655baa61161d63e2194ff88173cb022b86 Mon Sep 17 00:00:00 2001 From: John Tramm Date: Wed, 8 Jul 2026 03:18:38 +0000 Subject: [PATCH 22/22] Declare the recorded MGXS generation method in Settings.__init__ Initializing _mgxs_generation_method to None makes it a declared private attribute rather than one added dynamically outside __init__, and lets convert_to_multigroup access it directly (type-checking settings first). Co-Authored-By: Claude Fable 5 --- openmc/model/model.py | 6 ++++-- openmc/settings.py | 5 +++++ 2 files changed, 9 insertions(+), 2 deletions(-) diff --git a/openmc/model/model.py b/openmc/model/model.py index 94e20f5c2c6..8728e3aa9c9 100644 --- a/openmc/model/model.py +++ b/openmc/model/model.py @@ -2773,7 +2773,10 @@ def convert_to_multigroup( # mgxs_generation_settings) is used, defaulting to "material_wise". # Conflicting specifications are rejected, since the generation # defaults differ by method. - settings_method = getattr(settings, '_mgxs_generation_method', None) + if settings is not None: + check_type('settings', settings, openmc.Settings) + settings_method = (settings._mgxs_generation_method + if settings is not None else None) if method is None: method = settings_method or 'material_wise' elif settings_method is not None and method != settings_method: @@ -2817,7 +2820,6 @@ def convert_to_multigroup( if temperature_settings is not None: settings.temperature = temperature_settings else: - check_type('settings', settings, openmc.Settings) # batches and particles are required for any OpenMC transport # run; catch their absence here so a hand-built settings object # fails with a pointer to the defaults rather than a mysterious diff --git a/openmc/settings.py b/openmc/settings.py index 8120eb073e6..1ecd483c125 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -501,6 +501,11 @@ def __init__(self, **kwargs): self._random_ray = {} + # MGXS generation method recorded by Model.mgxs_generation_settings() + # and read back by Model.convert_to_multigroup; provenance only, not + # written to XML + self._mgxs_generation_method = None + for key, value in kwargs.items(): setattr(self, key, value)