def test_user_tag_settings(self): tags_dict_ans = self.mp_xanes.tags.as_dict() tags_dict_ans["COREHOLE"] = "RPA" tags_dict_ans["EDGE"] = "L1" user_tag_settings = {"COREHOLE": "RPA", "EDGE": "L1"} mp_xanes_2 = MPXANESSet(self.absorbing_atom, self.structure, user_tag_settings=user_tag_settings) self.assertEqual(mp_xanes_2.tags.as_dict(), tags_dict_ans) print(mp_xanes_2.as_dict().keys())
def test_user_tag_settings(self): tags_dict_ans = self.mp_xanes.tags.as_dict() tags_dict_ans["COREHOLE"] = "RPA" tags_dict_ans["EDGE"] = "L1" user_tag_settings = {"COREHOLE": "RPA", "EDGE": "L1"} mp_xanes_2 = MPXANESSet(self.absorbing_atom, self.structure, user_tag_settings=user_tag_settings) self.assertEqual(mp_xanes_2.tags.as_dict(), tags_dict_ans) print(mp_xanes_2.as_dict().keys())