def test_isotopes_are_parsed_correctly(self): """ Test that isotopes in the file in the format `element:P` are valid """ wks_grp = SimulatedDensityOfStates(PHONONFile=self._isotope_phonon, SpectrumType='DOS', Ions='H:P,C:P,O') self.assertEqual(3, wks_grp.size()) self.assertTrue(_is_name_material_in_group(wks_group = wks_grp, \ name_to_find = 'wks_grp_C(13)', material_to_find = '(C13)'))
def test_isotopes_are_parsed_correctly(self): """ Test that isotopes in the file in the format `element:P` are valid """ wks_grp = SimulatedDensityOfStates(PHONONFile=self._isotope_phonon, SpectrumType='DOS', Ions='H:P,C:P,O') self.assertEqual(3, wks_grp.size()) self.assertEqual('wks_grp_C(13)', wks_grp.getItem(0).getName()) self.assertEqual('(C13)', wks_grp.getItem(0).sample().getMaterial().name())
def test_isotopes_are_parsed_correctly(self): """ Test that isotopes in the file in the format `element:P` are valid """ wks_grp = SimulatedDensityOfStates(PHONONFile=self._isotope_phonon, SpectrumType='DOS', Ions='H:P,C:P,O') self.assertEqual(3, wks_grp.size()) self.assertTrue(_is_name_material_in_group(wks_group = wks_grp, \ name_to_find = 'wks_grp_C(13)', material_to_find = '(C13)'))