def test_m_graph_from_entries_failed(self):
# only base
s_list = MigrationGraph.get_structure_from_entries(
entries=[self.test_ents_MOF["ent_base"]],
migrating_ion_entry=self.li_ent,
)
self.assertEqual(len(s_list), 0)
s_list = MigrationGraph.get_structure_from_entries(
entries=self.test_ents_MOF["one_cation"],
migrating_ion_entry=self.li_ent,
)
self.assertEqual(len(s_list), 0)
def setUp(self):
self.test_ents_MOF = loadfn(f"{dir_path}/full_path_files/Mn6O5F7_cat_migration.json")
self.aeccar_MOF = Chgcar.from_file(f"{dir_path}/full_path_files/AECCAR_Mn6O5F7.vasp")
self.li_ent = loadfn(f"{dir_path}/full_path_files/li_ent.json")["li_ent"]
self.full_struct = MigrationGraph.get_structure_from_entries(
base_entries=[self.test_ents_MOF["ent_base"]],
inserted_entries=self.test_ents_MOF["one_cation"],
migrating_ion_entry=self.li_ent,
)[0]