def test_number_density_units(self):
builder = MaterialBuilder()
builder.setName('Bizarre oxide').setFormula('Al2 O3').setNumberDensity(
0.23)
builder.setNumberDensityUnit(NumberDensityUnit.FormulaUnits)
material = builder.build()
self.assertEqual(material.numberDensity, 0.23 * (2. + 3.))
def test_number_density_units(self):
builder = MaterialBuilder()
builder.setName(NAME).setFormula(FORMULA).setNumberDensity(NUMBER_DENSITY)
builder.setNumberDensityUnit(NumberDensityUnit.FormulaUnits)
material = builder.build()
self.assertEqual(material.numberDensity, NUMBER_DENSITY * (2. + 3.))
self.assertEqual(material.numberDensityEffective, NUMBER_DENSITY * (2. + 3.))
self.assertEqual(material.packingFraction, 1.)
def test_build_material(self):
builder = MaterialBuilder()
material = builder.setName('Bizarre oxide').setFormula('Al2 O3').setNumberDensity(0.23).build()
self.assertEqual(material.name(), 'Bizarre oxide')
formula = material.chemicalFormula()
self.assertEqual(len(formula), 2)
atoms = formula[0]
multiplicities = formula[1]
self.assertEqual(len(atoms), 2)
self.assertEqual(atoms[0].symbol, 'Al')
self.assertEqual(atoms[1].symbol, 'O')
self.assertEqual(len(multiplicities), 2)
self.assertEqual(multiplicities[0], 2)
self.assertEqual(multiplicities[1], 3)
self.assertEqual(material.numberDensity, 0.23)
def test_build_material(self):
builder = MaterialBuilder()
material = builder.setName('Bizarre oxide').setFormula(
'Al2 O3').setNumberDensity(0.23).build()
self.assertEqual(material.name(), 'Bizarre oxide')
formula = material.chemicalFormula()
self.assertEqual(len(formula), 2)
atoms = formula[0]
multiplicities = formula[1]
self.assertEqual(len(atoms), 2)
self.assertEqual(atoms[0].symbol, 'Al')
self.assertEqual(atoms[1].symbol, 'O')
self.assertEqual(len(multiplicities), 2)
self.assertEqual(multiplicities[0], 2)
self.assertEqual(multiplicities[1], 3)
self.assertEqual(material.numberDensity, 0.23)
def test_build_material(self):
builder = MaterialBuilder()
material = builder.setName(NAME).setFormula(FORMULA).setNumberDensity(NUMBER_DENSITY).build()
self.assertEqual(material.name(), NAME)
self.assertEqual(material.numberDensity, NUMBER_DENSITY)
self.assertEqual(material.numberDensityEffective, NUMBER_DENSITY)
self.assertEqual(material.packingFraction, 1.)
formula = material.chemicalFormula()
self.assertEqual(len(formula), 2)
atoms = formula[0]
multiplicities = formula[1]
self.assertEqual(len(atoms), 2)
self.assertEqual(atoms[0].symbol, 'Al')
self.assertEqual(atoms[1].symbol, 'O')
self.assertEqual(len(multiplicities), 2)
self.assertEqual(multiplicities[0], 2)
self.assertEqual(multiplicities[1], 3)
self.assertEqual(material.numberDensity, NUMBER_DENSITY)
def test_number_density_units(self):
builder = MaterialBuilder()
builder.setName('Bizarre oxide').setFormula('Al2 O3').setNumberDensity(0.23)
builder.setNumberDensityUnit(NumberDensityUnit.FormulaUnits)
material = builder.build()
self.assertEqual(material.numberDensity, 0.23 * (2. + 3.))