From 894ec54ad7659194ed53cc806444e88cd164d649 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 23 Jan 2018 23:01:03 -0600 Subject: [PATCH] Add unit tests for material classes --- openmc/material.py | 6 +- tests/unit_tests/test_material.py | 128 ++++++++++++++++++++++++++++++ 2 files changed, 131 insertions(+), 3 deletions(-) create mode 100644 tests/unit_tests/test_material.py diff --git a/openmc/material.py b/openmc/material.py index e22fe0b8ba..a59fdaa285 100644 --- a/openmc/material.py +++ b/openmc/material.py @@ -15,7 +15,7 @@ from .mixin import IDManagerMixin # Units for density supported by OpenMC -DENSITY_UNITS = ['g/cm3', 'g/cc', 'kg/cm3', 'atom/b-cm', 'atom/cm3', 'sum', +DENSITY_UNITS = ['g/cm3', 'g/cc', 'kg/m3', 'atom/b-cm', 'atom/cm3', 'sum', 'macro'] @@ -49,7 +49,7 @@ class Material(IDManagerMixin): density : float Density of the material (units defined separately) density_units : str - Units used for `density`. Can be one of 'g/cm3', 'g/cc', 'kg/cm3', + Units used for `density`. Can be one of 'g/cm3', 'g/cc', 'kg/m3', 'atom/b-cm', 'atom/cm3', 'sum', or 'macro'. The 'macro' unit only applies in the case of a multi-group calculation. depletable : bool @@ -312,7 +312,7 @@ class Material(IDManagerMixin): Parameters ---------- - units : {'g/cm3', 'g/cc', 'kg/cm3', 'atom/b-cm', 'atom/cm3', 'sum', 'macro'} + units : {'g/cm3', 'g/cc', 'kg/m3', 'atom/b-cm', 'atom/cm3', 'sum', 'macro'} Physical units of density. density : float, optional Value of the density. Must be specified unless units is given as diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py new file mode 100644 index 0000000000..46241e83df --- /dev/null +++ b/tests/unit_tests/test_material.py @@ -0,0 +1,128 @@ +import openmc +import pytest + + +@pytest.fixture(scope='module') +def uo2(): + m = openmc.Material(material_id=100, name='UO2') + m.add_nuclide('U235', 1.0) + m.add_nuclide('O16', 2.0) + m.set_density('g/cm3', 10.0) + m.depletable = True + return m + + +def test_attributes(uo2): + assert uo2.name == 'UO2' + assert uo2.id == 100 + assert uo2.depletable + + +def test_nuclides(uo2): + """Test adding/removing nuclides.""" + m = openmc.Material() + m.add_nuclide('U235', 1.0) + with pytest.raises(ValueError): + m.add_nuclide('H1', '1.0') + with pytest.raises(ValueError): + m.add_nuclide(1.0, 'H1') + with pytest.raises(ValueError): + m.add_nuclide('H1', 1.0, 'oa') + m.remove_nuclide('U235') + + +def test_elements(): + """Test adding elements.""" + m = openmc.Material() + m.add_element('Zr', 1.0) + m.add_element('U', 1.0, enrichment=4.5) + with pytest.raises(ValueError): + m.add_element('U', 1.0, enrichment=100.0) + with pytest.raises(ValueError): + m.add_element('Pu', 1.0, enrichment=3.0) + + +def test_density(): + m = openmc.Material() + for unit in ['g/cm3', 'g/cc', 'kg/m3', 'atom/b-cm', 'atom/cm3']: + m.set_density(unit, 1.0) + with pytest.raises(ValueError): + m.set_density('g/litre', 1.0) + + +def test_salphabeta(): + m = openmc.Material() + m.add_s_alpha_beta('c_H_in_H2O', 0.5) + + +def test_repr(): + m = openmc.Material() + m.add_nuclide('Zr90', 1.0) + m.add_nuclide('H2', 0.5) + m.add_s_alpha_beta('c_D_in_D2O') + m.set_density('sum') + m.temperature = 600.0 + repr(m) + + +def test_macroscopic(): + m = openmc.Material(name='UO2') + m.add_macroscopic('UO2') + with pytest.raises(ValueError): + m.add_nuclide('H1', 1.0) + with pytest.raises(ValueError): + m.add_element('O', 1.0) + with pytest.raises(ValueError): + m.add_macroscopic('Other') + + m2 = openmc.Material() + m2.add_nuclide('He4', 1.0) + with pytest.raises(ValueError): + m2.add_macroscopic('UO2') + + m.remove_macroscopic('UO2') + + +def test_isotropic(): + m = openmc.Material() + m.add_nuclide('U235', 1.0) + m.add_nuclide('O16', 2.0) + m.make_isotropic_in_lab() + assert m.isotropic == ['U235', 'O16'] + m.isotropic = ['O16'] + assert m.isotropic == ['O16'] + + +def test_get_nuclide_densities(uo2): + nucs = uo2.get_nuclide_densities() + for nuc, density, density_type in nucs.values(): + assert nuc in ('U235', 'O16') + assert density > 0 + assert density_type in ('ao', 'wo') + + +def test_get_nuclide_atom_densities(uo2): + nucs = uo2.get_nuclide_atom_densities() + for nuc, density in nucs.values(): + assert nuc in ('U235', 'O16') + assert density > 0 + + +def test_materials(tmpdir): + m1 = openmc.Material() + m1.add_nuclide('U235', 1.0, 'wo') + m1.add_nuclide('O16', 2.0, 'wo') + m1.set_density('g/cm3', 10.0) + m1.depletable = True + m1.temperature = 900.0 + + m2 = openmc.Material() + m2.add_nuclide('H1', 2.0) + m2.add_nuclide('O16', 1.0) + m2.add_s_alpha_beta('c_H_in_H2O') + m2.set_density('kg/m3', 1000.0) + + mats = openmc.Materials([m1, m2]) + mats.cross_sections = '/some/fake/cross_sections.xml' + mats.multipole_library = '/some/awesome/mp_lib/' + mats.export_to_xml(str(tmpdir.join('materials.xml')))