def test_get_structure_by_formula(self): data = COD().get_structure_by_formula("Li2O") self.assertTrue(len(data) > 15) self.assertEqual(data[0]["structure"].composition.reduced_formula, "Li2O")
def test_get_structure_by_id(self): s = COD().get_structure_by_id(2002926) self.assertEqual(s.formula, "Be8 H64 N16 F32")
def test_get_cod_ids(self): ids = COD().get_cod_ids("Li2O") self.assertTrue(len(ids) > 15)