OpenMC/tests/unit_tests/test_material.py

import openmc
import openmc.model
import openmc.stats
import openmc.examples
import pytest


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(TypeError):
        m.add_nuclide('H1', '1.0')
    with pytest.raises(TypeError):
        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(run_in_tmpdir):
    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')

    # Make sure we can remove/add macroscopic
    m.remove_macroscopic('UO2')
    m.add_macroscopic('UO2')
    repr(m)

    # Make sure we can export a material with macroscopic data
    mats = openmc.Materials([m])
    mats.export_to_xml()


def test_paths():
    model = openmc.examples.pwr_assembly()
    model.geometry.determine_paths()
    fuel = model.materials[0]
    assert fuel.num_instances == 264
    assert len(fuel.paths) == 264


def test_isotropic():
    m1 = openmc.Material()
    m1.add_nuclide('U235', 1.0)
    m1.add_nuclide('O16', 2.0)
    m1.isotropic = ['O16']
    assert m1.isotropic == ['O16']

    m2 = openmc.Material()
    m2.add_nuclide('H1', 1.0)
    mats = openmc.Materials([m1, m2])
    mats.make_isotropic_in_lab()
    assert m1.isotropic == ['U235', 'O16']
    assert m2.isotropic == ['H1']


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_mass():
    m = openmc.Material()
    m.add_nuclide('Zr90', 1.0, 'wo')
    m.add_nuclide('U235', 1.0, 'wo')
    m.set_density('g/cm3', 2.0)
    m.volume = 10.0

    assert m.get_mass_density('Zr90') == pytest.approx(1.0)
    assert m.get_mass_density('U235') == pytest.approx(1.0)
    assert m.get_mass_density() == pytest.approx(2.0)

    assert m.get_mass('Zr90') == pytest.approx(10.0)
    assert m.get_mass('U235') == pytest.approx(10.0)
    assert m.get_mass() == pytest.approx(20.0)
    assert m.fissionable_mass == pytest.approx(10.0)


def test_materials(run_in_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()


def test_borated_water():
    # Test against reference values from the BEAVRS benchmark.
    m = openmc.model.borated_water(975, 566.5, 15.51, material_id=50)
    assert m.density == pytest.approx(0.7405, 1e-3)
    assert m.temperature == pytest.approx(566.5)
    assert m._sab[0][0] == 'c_H_in_H2O'
    ref_dens = {'B10':8.0023e-06, 'B11':3.2210e-05, 'H1':4.9458e-02,
                'O16':2.4672e-02}
    nuc_dens = m.get_nuclide_atom_densities()
    for nuclide in ref_dens:
        assert nuc_dens[nuclide][1] == pytest.approx(ref_dens[nuclide], 1e-2)
    assert m.id == 50

    # Test the Celsius conversion.
    m = openmc.model.borated_water(975, 293.35, 15.51, 'C')
    assert m.density == pytest.approx(0.7405, 1e-3)

    # Test Fahrenheit and psi conversions.
    m = openmc.model.borated_water(975, 560.0, 2250.0, 'F', 'psi')
    assert m.density == pytest.approx(0.7405, 1e-3)

    # Test the density override
    m = openmc.model.borated_water(975, 566.5, 15.51, density=0.9)
    assert m.density == pytest.approx(0.9, 1e-3)