mirror of
https://github.com/openmc-dev/openmc.git
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264 lines
9.1 KiB
Python
264 lines
9.1 KiB
Python
from collections.abc import Callable
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from math import exp
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import os
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import random
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import numpy as np
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import pytest
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import openmc.data
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from . import needs_njoy
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@pytest.fixture(scope='module')
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def h2o():
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"""H in H2O thermal scattering data."""
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directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
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filename = os.path.join(directory, 'c_H_in_H2O.h5')
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return openmc.data.ThermalScattering.from_hdf5(filename)
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@pytest.fixture(scope='module')
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def graphite():
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"""Graphite thermal scattering data."""
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directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
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filename = os.path.join(directory, 'c_Graphite.h5')
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return openmc.data.ThermalScattering.from_hdf5(filename)
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@pytest.fixture(scope='module')
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def h2o_njoy():
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"""H in H2O generated using NJOY."""
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endf_data = os.environ['OPENMC_ENDF_DATA']
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path_h1 = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
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path_h2o = os.path.join(endf_data, 'thermal_scatt', 'tsl-HinH2O.endf')
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return openmc.data.ThermalScattering.from_njoy(
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path_h1, path_h2o, temperatures=[293.6, 500.0])
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@pytest.fixture(scope='module')
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def hzrh():
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"""H in ZrH thermal scattering data."""
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endf_data = os.environ['OPENMC_ENDF_DATA']
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filename = os.path.join(endf_data, 'thermal_scatt', 'tsl-HinZrH.endf')
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return openmc.data.ThermalScattering.from_endf(filename)
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@pytest.fixture(scope='module')
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def hzrh_njoy():
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"""H in ZrH generated using NJOY."""
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endf_data = os.environ['OPENMC_ENDF_DATA']
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path_h1 = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
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path_hzrh = os.path.join(endf_data, 'thermal_scatt', 'tsl-HinZrH.endf')
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with_endf_data = openmc.data.ThermalScattering.from_njoy(
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path_h1, path_hzrh, temperatures=[296.0], iwt=0
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)
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without_endf_data = openmc.data.ThermalScattering.from_njoy(
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path_h1, path_hzrh, temperatures=[296.0], use_endf_data=False, iwt=1
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)
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return with_endf_data, without_endf_data
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@pytest.fixture(scope='module')
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def sio2():
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"""SiO2 thermal scattering data."""
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endf_data = os.environ['OPENMC_ENDF_DATA']
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filename = os.path.join(endf_data, 'thermal_scatt', 'tsl-SiO2.endf')
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return openmc.data.ThermalScattering.from_endf(filename)
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def test_h2o_attributes(h2o):
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assert h2o.name == 'c_H_in_H2O'
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assert h2o.nuclides == ['H1']
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assert h2o.temperatures == ['294K']
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assert h2o.atomic_weight_ratio == pytest.approx(0.999167)
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assert h2o.energy_max == pytest.approx(4.46)
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assert isinstance(repr(h2o), str)
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def test_h2o_xs(h2o):
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assert not h2o.elastic
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for temperature, func in h2o.inelastic.xs.items():
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assert temperature.endswith('K')
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assert isinstance(func, Callable)
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def test_graphite_attributes(graphite):
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assert graphite.name == 'c_Graphite'
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assert graphite.nuclides == ['C0', 'C12', 'C13']
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assert graphite.temperatures == ['296K']
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assert graphite.atomic_weight_ratio == pytest.approx(11.898)
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assert graphite.energy_max == pytest.approx(4.46)
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def test_graphite_xs(graphite):
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for temperature, func in graphite.elastic.xs.items():
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assert temperature.endswith('K')
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assert isinstance(func, openmc.data.CoherentElastic)
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for temperature, func in graphite.inelastic.xs.items():
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assert temperature.endswith('K')
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assert isinstance(func, Callable)
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elastic = graphite.elastic.xs['296K']
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assert elastic([1e-3, 1.0]) == pytest.approx([0.0, 0.62586153])
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@needs_njoy
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def test_graphite_njoy():
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endf_data = os.environ['OPENMC_ENDF_DATA']
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path_c0 = os.path.join(endf_data, 'neutrons', 'n-006_C_000.endf')
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path_gr = os.path.join(endf_data, 'thermal_scatt', 'tsl-graphite.endf')
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graphite = openmc.data.ThermalScattering.from_njoy(
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path_c0, path_gr, temperatures=[296.0])
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assert graphite.nuclides == ['C0', 'C12', 'C13']
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assert graphite.atomic_weight_ratio == pytest.approx(11.898)
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assert graphite.energy_max == pytest.approx(2.02)
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assert graphite.temperatures == ['296K']
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@needs_njoy
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def test_export_to_hdf5(tmpdir, h2o_njoy, hzrh_njoy, graphite):
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filename = str(tmpdir.join('water.h5'))
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h2o_njoy.export_to_hdf5(filename)
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assert os.path.exists(filename)
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# Graphite covers export of coherent elastic data
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filename = str(tmpdir.join('graphite.h5'))
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graphite.export_to_hdf5(filename)
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assert os.path.exists(filename)
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# H in ZrH covers export of incoherent elastic data, and incoherent
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# inelastic angle-energy distributions
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filename = str(tmpdir.join('hzrh.h5'))
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hzrh_njoy[0].export_to_hdf5(filename)
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assert os.path.exists(filename)
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hzrh_njoy[1].export_to_hdf5(filename, 'w')
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assert os.path.exists(filename)
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@needs_njoy
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def test_continuous_dist(h2o_njoy):
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for temperature, dist in h2o_njoy.inelastic.distribution.items():
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assert temperature.endswith('K')
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assert isinstance(dist, openmc.data.IncoherentInelasticAE)
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def test_h2o_endf():
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endf_data = os.environ['OPENMC_ENDF_DATA']
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filename = os.path.join(endf_data, 'thermal_scatt', 'tsl-HinH2O.endf')
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h2o = openmc.data.ThermalScattering.from_endf(filename)
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assert not h2o.elastic
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assert h2o.atomic_weight_ratio == pytest.approx(0.99917)
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assert h2o.energy_max == pytest.approx(3.99993)
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assert h2o.temperatures == ['294K', '350K', '400K', '450K', '500K', '550K',
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'600K', '650K', '800K']
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def test_hzrh_attributes(hzrh):
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assert hzrh.atomic_weight_ratio == pytest.approx(0.99917)
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assert hzrh.energy_max == pytest.approx(1.9734)
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assert hzrh.temperatures == ['296K', '400K', '500K', '600K', '700K', '800K',
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'1000K', '1200K']
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def test_hzrh_elastic(hzrh):
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rx = hzrh.elastic
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for temperature, func in rx.xs.items():
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assert temperature.endswith('K')
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assert isinstance(func, openmc.data.IncoherentElastic)
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xs = rx.xs['296K']
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sig_b, W = xs.bound_xs, xs.debye_waller
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assert sig_b == pytest.approx(81.98006)
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assert W == pytest.approx(8.486993)
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for i in range(10):
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E = random.uniform(0.0, hzrh.energy_max)
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assert xs(E) == pytest.approx(sig_b/2 * ((1 - exp(-4*E*W))/(2*E*W)))
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for temperature, dist in rx.distribution.items():
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assert temperature.endswith('K')
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assert dist.debye_waller > 0.0
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@needs_njoy
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def test_hzrh_njoy(hzrh_njoy):
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endf, ace = hzrh_njoy
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# First check version using ENDF incoherent elastic data
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assert endf.atomic_weight_ratio == pytest.approx(0.999167)
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assert endf.energy_max == pytest.approx(1.855)
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assert endf.temperatures == ['296K']
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# Now check version using ACE incoherent elastic data (discretized)
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assert ace.atomic_weight_ratio == endf.atomic_weight_ratio
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assert ace.energy_max == endf.energy_max
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# Cross sections should be about the same (within 1%)
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E = np.linspace(1e-5, endf.energy_max)
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xs1 = endf.elastic.xs['296K'](E)
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xs2 = ace.elastic.xs['296K'](E)
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assert xs1 == pytest.approx(xs2, rel=0.01)
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# Check discrete incoherent elastic distribution
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d = ace.elastic.distribution['296K']
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assert np.all((-1.0 <= d.mu_out) & (d.mu_out <= 1.0))
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# Check discrete incoherent inelastic distribution
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d = endf.inelastic.distribution['296K']
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assert d.skewed
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assert np.all((-1.0 <= d.mu_out) & (d.mu_out <= 1.0))
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assert np.all((0.0 <= d.energy_out) & (d.energy_out < 3*endf.energy_max))
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def test_sio2_attributes(sio2):
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assert sio2.atomic_weight_ratio == pytest.approx(27.84423)
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assert sio2.energy_max == pytest.approx(2.46675)
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assert sio2.temperatures == ['294K', '350K', '400K', '500K', '800K',
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'1000K', '1200K']
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def test_sio2_elastic(sio2):
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rx = sio2.elastic
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for temperature, func in rx.xs.items():
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assert temperature.endswith('K')
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assert isinstance(func, openmc.data.CoherentElastic)
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xs = rx.xs['294K']
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assert len(xs) == 317
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assert xs.bragg_edges[0] == pytest.approx(0.000711634)
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assert xs.factors[0] == pytest.approx(2.6958e-14)
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# Below first bragg edge, cross section should be zero
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E = xs.bragg_edges[0] / 2.0
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assert xs(E) == 0.0
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# Between bragg edges, cross section is P/E where P is the factor
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E = (xs.bragg_edges[0] + xs.bragg_edges[1]) / 2.0
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P = xs.factors[0]
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assert xs(E) == pytest.approx(P / E)
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# Check the last Bragg edge
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E = 1.1 * xs.bragg_edges[-1]
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P = xs.factors[-1]
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assert xs(E) == pytest.approx(P / E)
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for temperature, dist in rx.distribution.items():
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assert temperature.endswith('K')
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assert dist.coherent_xs is rx.xs[temperature]
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def test_get_thermal_name():
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f = openmc.data.get_thermal_name
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# Names which are recognized
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assert f('lwtr') == 'c_H_in_H2O'
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assert f('hh2o') == 'c_H_in_H2O'
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with pytest.warns(UserWarning, match='is not recognized'):
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# Names which can be guessed
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assert f('lw00') == 'c_H_in_H2O'
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assert f('graphite') == 'c_Graphite'
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assert f('D_in_D2O') == 'c_D_in_D2O'
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# Not in values, but very close
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assert f('hluci') == 'c_H_in_C5O2H8'
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assert f('ortho_d') == 'c_ortho_D'
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# Names that don't remotely match anything
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assert f('boogie_monster') == 'c_boogie_monster'
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