def test_checkpoint(): with h5.File('horton.io.test.test_cif.test_checkpoint', driver='core', backing_store=False) as f: sys0 = System.from_file(context.get_fn('test/lta_iza.cif')) sys0.to_file(f) sys1 = System.from_file(f) s0 = sys0.extra['symmetry'] s1 = sys1.extra['symmetry'] compare_symmetries(s0, s1)
def test_hdf5(): s0 = get_fake_symmetry() with h5.File('horton.test.test_symmetry.test_hdf5.h5', driver='core', backing_store=False) as f: s0.to_hdf5(f) s1 = Symmetry.from_hdf5(f) compare_symmetries(s0, s1)
def test_checkpoint(): with h5.File("horton.io.test.test_cif.test_checkpoint", driver="core", backing_store=False) as f: mol0 = IOData.from_file(context.get_fn("test/lta_iza.cif")) mol0.to_file(f) mol1 = IOData.from_file(f) assert mol0.title == mol1.title s0 = mol0.symmetry s1 = mol1.symmetry compare_symmetries(s0, s1)
def test_checkpoint(): with h5.File('horton.io.test.test_cif.test_checkpoint', driver='core', backing_store=False) as f: mol0 = IOData.from_file(context.get_fn('test/lta_iza.cif')) mol0.to_file(f) mol1 = IOData.from_file(f) assert mol0.title == mol1.title s0 = mol0.symmetry s1 = mol1.symmetry compare_symmetries(s0, s1)