Add unit tests for material classes

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

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')))