dwiddo / average-minimum-distance

                pytest.fail(f'Structure {s.name} read with CifReader disagrees with reference.')

def test_CifReader_ccdc(cif_paths, reference_data):

    for name in cif_paths:

        references = reference_data[name]

        try:

            read_in = list(amd.CifReader(cif_paths[name], reader='ccdc'))

        except ImportError as _:

            pytest.skip('Skipping ccdc reader test as ccdc is not installed.')

        if (not len(references) == len(read_in)) or len(read_in) == 0:

            pytest.fail(f'There are {len(references)} references, but {len(read_in)} structures were read.')

        for s, s_ in zip(read_in, references):

            if not s == s_['PeriodicSet']:

                pytest.fail(f'Structure {s.name} read with CifReader disagrees with reference.')

@pytest.fixture(scope='module')

                pytest.fail(f'Structure {s.name} read with CifReader disagrees with reference.')

def test_CifReader_gemmi(cif_paths, reference_data):

    for name in cif_paths:

        references = reference_data[name]

        try:

            read_in = list(amd.CifReader(cif_paths[name], reader='gemmi'))

        except ImportError as _:

            pytest.skip('Skipping gemmi reader test as gemmi is not installed.')

        if (not len(references) == len(read_in)) or len(read_in) == 0:

            pytest.fail(f'There are {len(references)} references, but {len(read_in)} structures were read.')

        for s, s_ in zip(read_in, references):

            if not s == s_['PeriodicSet']:

                pytest.fail(f'Structure {s.name} read with CifReader disagrees with reference.')

def test_CifReader_ccdc(cif_paths, reference_data):

                pytest.fail(f'Structure {s.name} read with CifReader disagrees with reference.')

def test_CifReader_pymatgen(cif_paths, reference_data):

    for name in cif_paths:

        references = reference_data[name]

        try:

            read_in = list(amd.CifReader(cif_paths[name], reader='pymatgen'))

        except ImportError as _:

            pytest.skip('Skipping pymatgen reader test as pymatgen is not installed.')

        if (not len(references) == len(read_in)) or len(read_in) == 0:

            pytest.fail(f'There are {len(references)} references, but {len(read_in)} structures were read.')

        for s, s_ in zip(read_in, references):

            if not s == s_['PeriodicSet']:

                pytest.fail(f'Structure {s.name} read with CifReader disagrees with reference.')

def test_CifReader_gemmi(cif_paths, reference_data):