def setUpClass(cls): cls.structure = Structure.from_file( os.path.join(MODULE_DIR, "cifs", "BaTiO3_mp-2998_computed.cif")) cls.molecule = Molecule(["C", "O", "O"], [[0, 0, 0], [-1, 0, 0], [1, 0, 0]]) cls.mall = MinimumDistanceNNAll(4) cls.aapair = AllAtomPairs()
def test_serialization(self): mall = MinimumDistanceNNAll(4) config = serialize(mall) self.assertDictEqual( config, {"@module": "megnet.data.local_env", "@class": "MinimumDistanceNNAll", "cutoff": 4} ) self.assertTrue(serialize(None) is None) mall2 = deserialize(config) self.assertTrue(isinstance(mall2, MinimumDistanceNNAll)) self.assertTrue(mall2.cutoff == 4)
def test_serialization(self): mall = MinimumDistanceNNAll(4) config = serialize(mall) self.assertDictEqual( config, { '@module': 'megnet.data.local_env', '@class': 'MinimumDistanceNNAll', 'cutoff': 4 }) self.assertTrue(serialize(None) is None) mall2 = deserialize(config) self.assertTrue(isinstance(mall2, MinimumDistanceNNAll)) self.assertTrue(mall2.cutoff == 4)