def load_from_cif(self, filename, oxidations, cation="Li"): s = Structure.from_file(os.path.join(module_dir, filename)) s.add_oxidation_state_by_element(oxidations) return BatteryAnalyzer(s, cation)
def load_from_internal(self, name, oxidations, cation="Li"): s = self.get_structure(name).copy() s.add_oxidation_state_by_element(oxidations) return BatteryAnalyzer(s, cation)
def load_from_cif(self, filename, oxidations, cation="Li"): s = Structure.from_file(os.path.join(PymatgenTest.TEST_FILES_DIR, filename)) s.add_oxidation_state_by_element(oxidations) return BatteryAnalyzer(s, cation)