def test_material_set_properties(self):
bad_absorb = '-1'
bad_scattering = 0
good_absorb = '1'
good_scattering = 2.0
material_obj = sample_details._Material(chemical_formula='V')
with assertRaisesRegex(self, ValueError, "absorption_cross_section was: -1 which is impossible for a physical "
"object"):
material_obj.set_material_properties(abs_cross_sect=bad_absorb, scattering_cross_sect=good_scattering)
# Check the immutability flag has not been set on a failure
self.assertFalse(material_obj._is_material_props_set)
with assertRaisesRegex(self, ValueError, "scattering_cross_section was: 0"):
material_obj.set_material_properties(abs_cross_sect=good_absorb, scattering_cross_sect=bad_scattering)
# Check nothing has been set yet
self.assertIsNone(material_obj.absorption_cross_section)
self.assertIsNone(material_obj.scattering_cross_section)
# Set the object this time
material_obj.set_material_properties(abs_cross_sect=good_absorb, scattering_cross_sect=good_scattering)
self.assertTrue(material_obj._is_material_props_set)
self.assertEqual(material_obj.absorption_cross_section, float(good_absorb))
self.assertEqual(material_obj.scattering_cross_section, float(good_scattering))
# Check we cannot set it twice and fields do not change
with assertRaisesRegex(self, RuntimeError, "The material properties have already been set"):
material_obj.set_material_properties(abs_cross_sect=999, scattering_cross_sect=999)
self.assertEqual(material_obj.absorption_cross_section, float(good_absorb))
self.assertEqual(material_obj.scattering_cross_section, float(good_scattering))
def test_material_constructor(self):
chemical_formula_one_char_element = 'V'
chemical_formula_two_char_element = 'Si'
chemical_formula_complex = 'V Si' # Yes, this isn't a sensible input but for our tests it will do
number_density_sample = 1.234
crystal_density_sample = 2.345
material_obj_one_char = sample_details._Material(
chemical_formula=chemical_formula_one_char_element)
self.assertIsNotNone(material_obj_one_char)
self.assertEqual(material_obj_one_char.chemical_formula,
chemical_formula_one_char_element)
self.assertIsNone(material_obj_one_char.number_density)
# Also check that the absorption and scattering X sections have not been set
self.assertIsNone(material_obj_one_char.absorption_cross_section)
self.assertIsNone(material_obj_one_char.scattering_cross_section)
self.assertFalse(material_obj_one_char._is_material_props_set)
# Check if it accepts two character elements without number density
material_obj_two_char = sample_details._Material(
chemical_formula=chemical_formula_two_char_element)
self.assertIsNotNone(material_obj_two_char)
self.assertEqual(material_obj_two_char.chemical_formula,
chemical_formula_two_char_element)
self.assertIsNone(material_obj_two_char.number_density)
# Check it stores number density if passed and use it as crystal density when crystal_density is not passed
material_obj_number_density = sample_details._Material(
chemical_formula=chemical_formula_two_char_element,
number_density=number_density_sample)
self.assertEqual(material_obj_number_density.number_density,
number_density_sample)
self.assertEqual(material_obj_number_density.crystal_density,
number_density_sample)
# Check it stores crystal density if passed
material_obj_crystal_density = sample_details._Material(
chemical_formula=chemical_formula_two_char_element,
number_density=number_density_sample,
crystal_density=crystal_density_sample)
self.assertEqual(material_obj_crystal_density.crystal_density,
crystal_density_sample)
# Check that it raises an error if we have a non-elemental formula without number density
with self.assertRaisesRegex(
ValueError,
"A number density formula must be set on a chemical formula"):
sample_details._Material(chemical_formula=chemical_formula_complex)
# Check it constructs if it is given the number density too
material_obj_num_complex_formula = sample_details._Material(
chemical_formula=chemical_formula_complex,
number_density=number_density_sample)
self.assertEqual(material_obj_num_complex_formula.chemical_formula,
chemical_formula_complex)
self.assertEqual(material_obj_num_complex_formula.number_density,
number_density_sample)
def test_material_set_properties(self):
bad_absorb = '-1'
bad_scattering = 0
good_absorb = '1'
good_scattering = 2.0
material_obj = sample_details._Material(chemical_formula='V')
with assertRaisesRegex(
self, ValueError,
"absorption_cross_section was: -1 which is impossible for a physical "
"object"):
material_obj.set_material_properties(
abs_cross_sect=bad_absorb,
scattering_cross_sect=good_scattering)
# Check the immutability flag has not been set on a failure
self.assertFalse(material_obj._is_material_props_set)
with assertRaisesRegex(self, ValueError,
"scattering_cross_section was: 0"):
material_obj.set_material_properties(
abs_cross_sect=good_absorb,
scattering_cross_sect=bad_scattering)
# Check nothing has been set yet
self.assertIsNone(material_obj.absorption_cross_section)
self.assertIsNone(material_obj.scattering_cross_section)
# Set the object this time
material_obj.set_material_properties(
abs_cross_sect=good_absorb, scattering_cross_sect=good_scattering)
self.assertTrue(material_obj._is_material_props_set)
self.assertEqual(material_obj.absorption_cross_section,
float(good_absorb))
self.assertEqual(material_obj.scattering_cross_section,
float(good_scattering))
# Check we cannot set it twice and fields do not change
with assertRaisesRegex(
self, RuntimeError,
"The material properties have already been set"):
material_obj.set_material_properties(abs_cross_sect=999,
scattering_cross_sect=999)
self.assertEqual(material_obj.absorption_cross_section,
float(good_absorb))
self.assertEqual(material_obj.scattering_cross_section,
float(good_scattering))
def test_material_constructor(self):
chemical_formula_one_char_element = 'V'
chemical_formula_two_char_element = 'Si'
chemical_formula_complex = 'V Si' # Yes, this isn't a sensible input but for our tests it will do
number_density_sample = 1.234
material_obj_one_char = sample_details._Material(chemical_formula=chemical_formula_one_char_element)
self.assertIsNotNone(material_obj_one_char)
self.assertEqual(material_obj_one_char.chemical_formula, chemical_formula_one_char_element)
self.assertIsNone(material_obj_one_char.number_density)
# Also check that the absorption and scattering X sections have not been set
self.assertIsNone(material_obj_one_char.absorption_cross_section)
self.assertIsNone(material_obj_one_char.scattering_cross_section)
self.assertFalse(material_obj_one_char._is_material_props_set)
# Check if it accepts two character elements without number density
material_obj_two_char = sample_details._Material(chemical_formula=chemical_formula_two_char_element)
self.assertIsNotNone(material_obj_two_char)
self.assertEqual(material_obj_two_char.chemical_formula, chemical_formula_two_char_element)
self.assertIsNone(material_obj_two_char.number_density)
# Check it stores number density if passed
material_obj_number_density = sample_details._Material(chemical_formula=chemical_formula_two_char_element,
number_density=number_density_sample)
self.assertEqual(material_obj_number_density.number_density, number_density_sample)
# Check that it raises an error if we have a non-elemental formula without number density
with assertRaisesRegex(self, ValueError, "A number density formula must be set on a chemical formula"):
sample_details._Material(chemical_formula=chemical_formula_complex)
# Check it constructs if it is given the number density too
material_obj_num_complex_formula = sample_details._Material(chemical_formula=chemical_formula_complex,
number_density=number_density_sample)
self.assertEqual(material_obj_num_complex_formula.chemical_formula, chemical_formula_complex)
self.assertEqual(material_obj_num_complex_formula.number_density, number_density_sample)