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https://github.com/openmc-dev/openmc.git
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Replacing manual absolute error tests with pytest.approx, improving documentation, and other small changes per the review by @paulroman.
This commit is contained in:
agnelson
parent
e4476fc0b7
commit
c9e91d42fb
4 changed files with 53 additions and 34 deletions
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@ -52,7 +52,7 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
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args = [openmc_exec]
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if volume:
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args += ['--volume']
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args.append('--volume')
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if isinstance(particles, Integral) and particles > 0:
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args += ['-n', str(particles)]
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@ -112,7 +112,17 @@ def global_bounding_box():
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def calculate_volumes(output=True):
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"""Run stochastic volume calculation"""
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"""Run stochastic volume calculation
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.. versionchanged:: 0.13.0
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The *output* argument was added.
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Parameters
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----------
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output : bool, optional
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Whether or not to show output. Defaults to showing output
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"""
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with quiet_dll(output):
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_dll.openmc_calculate_volumes()
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@ -140,7 +150,7 @@ def export_properties(filename=None, output=True):
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----------
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filename : str or None
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Filename to export properties to (defaults to "properties.h5")
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output: bool, optional
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output : bool, optional
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Whether or not to show output. Defaults to showing output
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See Also
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@ -242,7 +252,7 @@ def init(args=None, intracomm=None, output=True):
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Command-line arguments
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intracomm : mpi4py.MPI.Intracomm or None, optional
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MPI intracommunicator
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output: bool, optional
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output : bool, optional
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Whether or not to show output. Defaults to showing output
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"""
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@ -369,7 +379,7 @@ def plot_geometry(output=True):
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Parameters
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----------
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output: bool, optional
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output : bool, optional
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Whether or not to show output. Defaults to showing output
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"""
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@ -395,7 +405,7 @@ def run(output=True):
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Parameters
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----------
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output: bool, optional
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output : bool, optional
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Whether or not to show output. Defaults to showing output
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"""
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@ -20,7 +20,7 @@ from openmc.exceptions import InvalidIDError
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@contextmanager
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def _change_directory(working_dir):
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"""A context manager for executing in a provided working directory"""
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start_dir = Path().cwd()
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start_dir = Path.cwd()
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Path.mkdir(working_dir, exist_ok=True)
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os.chdir(working_dir)
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try:
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@ -231,7 +231,7 @@ class Model:
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event_based : None or bool, optional
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Turns on event-based parallelism if True. If None, the value in
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the Settings will be used.
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intracomm : DummyCommnicator, mpi4py.MPI.Intracomm or None, optional
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intracomm : mpi4py.MPI.Intracomm or None, optional
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MPI intracommunicator
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"""
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@ -261,7 +261,10 @@ class Model:
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self.export_to_xml()
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self._intracomm.barrier()
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openmc.lib.init(args=args, intracomm=self._intracomm, output=output)
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# We cannot pass DummyCommunicator to openmc.lib.init so pass instead
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# the user-provided intracomm which will either be None or an mpi4py
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# communicator
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openmc.lib.init(args=args, intracomm=intracomm, output=output)
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def finalize_lib(self):
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"""Finalize simulation and free memory allocated for the C API
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@ -610,8 +613,7 @@ class Model:
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if apply_volumes:
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# Load the results and add them to the model
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for i, vol_calc in enumerate(self.settings.volume_calculations):
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f_name = f"volume_{i + 1}.h5"
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vol_calc.load_results(f_name)
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vol_calc.load_results(f"volume_{i + 1}.h5")
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# First add them to the Python side
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self.geometry.add_volume_information(vol_calc)
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@ -1,8 +1,10 @@
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from math import pi
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import numpy as np
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import pytest
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from pathlib import Path
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from shutil import which
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import numpy as np
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import pytest
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import openmc
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import openmc.lib
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@ -304,9 +306,9 @@ def test_run(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
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lib_fiss = sp.get_tally(id=1).get_values(scores=['fission'])[0, 0, 0]
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# and lets compare results
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assert abs(lib_keff - cli_keff) < 1e-13
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assert abs(lib_flux - cli_flux) < 1e-13
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assert abs(lib_fiss - cli_fiss) < 1e-13
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assert lib_keff.n == pytest.approx(cli_keff.n, abs=1e-13)
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assert lib_flux == pytest.approx(cli_flux, abs=1e-13)
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assert lib_fiss == pytest.approx(cli_fiss, abs=1e-13)
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# Now we should make sure that the flags for items which should be handled
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# by init are properly set
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@ -348,7 +350,7 @@ def test_plots(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
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# convert is True, test.png, plot_2.png
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for fname in ['test.', 'plot_2.']:
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for ext in exts:
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test_file = Path('./{}{}'.format(fname, ext))
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test_file = Path(f'./{fname}{ext}')
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assert test_file.exists()
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test_file.unlink()
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@ -398,19 +400,20 @@ def test_py_lib_attributes(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
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# Now lets do the density updates.
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# Check initial conditions
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assert abs(openmc.lib.materials[1].get_density(
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'atom/b-cm') - 0.06891296988603757) < 1e-13
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assert openmc.lib.materials[1].get_density('atom/b-cm') == \
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pytest.approx(0.06891296988603757, abs=1e-13)
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mat_a_dens = np.sum(
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[v[1] for v in test_model.materials[0].
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get_nuclide_atom_densities().values()])
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assert abs(mat_a_dens - 0.06891296988603757) < 1e-8
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assert mat_a_dens == pytest.approx(0.06891296988603757, abs=1e-8)
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# Change the density
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test_model.update_densities(['UO2'], 2.)
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assert abs(openmc.lib.materials[1].get_density('atom/b-cm') - 2.) < 1e-13
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assert openmc.lib.materials[1].get_density('atom/b-cm') == \
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pytest.approx(2., abs=1e-13)
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mat_a_dens = np.sum(
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[v[1] for v in test_model.materials[0].
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get_nuclide_atom_densities().values()])
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assert abs(mat_a_dens - 2.) < 1e-8
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assert mat_a_dens == pytest.approx(2., abs=1e-8)
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# Now lets do the cell temperature updates.
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# Check initial conditions
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@ -418,22 +421,26 @@ def test_py_lib_attributes(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
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{2: geom.root_universe.cells[2], 3: geom.root_universe.cells[3],
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4: geom.root_universe.cells[4],
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1: geom.root_universe.cells[2].fill.cells[1]}
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assert abs(openmc.lib.cells[3].get_temperature() - 293.6) < 1e-13
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assert openmc.lib.cells[3].get_temperature() == \
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pytest.approx(293.6, abs=1e-13)
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assert test_model.geometry.root_universe.cells[3].temperature is None
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# Change the temperature
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test_model.update_cell_temperatures([3], 600.)
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assert abs(openmc.lib.cells[3].get_temperature() - 600.) < 1e-13
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assert abs(test_model.geometry.root_universe.cells[3].temperature -
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600.) < 1e-13
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assert openmc.lib.cells[3].get_temperature() == \
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pytest.approx(600., abs=1e-13)
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assert test_model.geometry.root_universe.cells[3].temperature == \
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pytest.approx(600., abs=1e-13)
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# And finally material volume
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assert abs(openmc.lib.materials[1].volume - 0.4831931368640985) < 1e-13
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assert openmc.lib.materials[1].volume == \
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pytest.approx(0.4831931368640985, abs=1e-13)
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# The temperature on the material will be None because its just the default
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assert abs(test_model.materials[0].volume - 0.4831931368640985) < 1e-13
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assert test_model.materials[0].volume == \
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pytest.approx(0.4831931368640985, abs=1e-13)
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# Change the temperature
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test_model.update_material_volumes(['UO2'], 2.)
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assert abs(openmc.lib.materials[1].volume - 2.) < 1e-13
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assert abs(test_model.materials[0].volume - 2.) < 1e-13
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assert openmc.lib.materials[1].volume == pytest.approx(2., abs=1e-13)
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assert test_model.materials[0].volume == pytest.approx(2., abs=1e-13)
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test_model.finalize_lib()
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@ -460,7 +467,7 @@ def test_deplete(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
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# Get the new Xe136 and U235 atom densities
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after_xe = mats[0].get_nuclide_atom_densities()['Xe136'][1]
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after_u = mats[0].get_nuclide_atom_densities()['U235'][1]
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assert abs((after_xe + after_u) - initial_u) < 1e-15
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assert after_xe + after_u == pytest.approx(initial_u, abs=1e-15)
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assert test_model.is_initialized is False
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# Reset the initial material densities
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@ -480,12 +487,12 @@ def test_deplete(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
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# Get the new Xe136 and U235 atom densities
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after_lib_xe = mats[0].get_nuclide_atom_densities()['Xe136'][1]
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after_lib_u = mats[0].get_nuclide_atom_densities()['U235'][1]
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assert abs((after_lib_xe + after_lib_u) - initial_u) < 1e-15
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assert after_lib_xe + after_lib_u == pytest.approx(initial_u, abs=1e-15)
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assert test_model.is_initialized is True
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# And end by comparing to the previous case
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assert abs(after_xe - after_lib_xe) < 1e-15
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assert abs(after_u - after_lib_u) < 1e-15
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assert after_xe == pytest.approx(after_lib_xe, abs=1e-15)
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assert after_u == pytest.approx(after_lib_u, abs=1e-15)
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test_model.finalize_lib()
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