diff --git a/nomad/datamodel/dft.py b/nomad/datamodel/dft.py index 6cc5eb55835a6c8cfc0c145c56ef967393ce5029..bb26a224b6099947c49be8a9097f353dc5633f48 100644 --- a/nomad/datamodel/dft.py +++ b/nomad/datamodel/dft.py @@ -46,7 +46,7 @@ version_re = re.compile(r'(\d+(\.\d+(\.\d+)?)?)') def map_functional_name_to_xc_treatment(name): - if name == config.services.unavailable_label: + if name == config.services.unavailable_value: return name return xc_treatments.get(name[:3].lower(), name) @@ -114,7 +114,7 @@ class DFTCalcWithMetadata(CalcWithMetadata): if val is None: logger.warning( 'The values for %s where not available in any %s' % (key, section)) - return unavailable_value if unavailable_value is not None else config.services.unavailable_label + return unavailable_value if unavailable_value is not None else config.services.unavailable_value else: return val diff --git a/nomad/normalizing/system.py b/nomad/normalizing/system.py index 64b6b6f173899f7a190e7e88f999f9bf4b44bc15..b195141f79f9dd624ea67d60ba343de1aaf05f2a 100644 --- a/nomad/normalizing/system.py +++ b/nomad/normalizing/system.py @@ -184,7 +184,7 @@ class SystemNormalizer(SystemBasedNormalizer): Determine the dimensioality and hence the system type of the system with Matid. Write the system type to the backend. """ - system_type = 'unavailable' + system_type = config.services.unavailable_value try: dimensionality = get_dimensionality( atoms, cluster_threshold=3.1, return_clusters=False) diff --git a/tests/test_normalizing.py b/tests/test_normalizing.py index 7b5f7f271829f2386b0fb663fb234f547d000f47..497cfec46200c2ea420e02c07b852180d823185f 100644 --- a/tests/test_normalizing.py +++ b/tests/test_normalizing.py @@ -68,11 +68,11 @@ def assert_normalized(backend: LocalBackend): assert len(metadata.atoms) > 0 assert metadata.spacegroup is not None - assert metadata.code_name is not config.services.unavailable_label - assert metadata.code_version is not config.services.unavailable_label - assert metadata.basis_set is not config.services.unavailable_label - assert metadata.xc_functional is not config.services.unavailable_label - assert metadata.system is not config.services.unavailable_label + assert metadata.code_name != config.services.unavailable_value + assert metadata.code_version != config.services.unavailable_value + assert metadata.basis_set != config.services.unavailable_value + assert metadata.xc_functional != config.services.unavailable_value + assert metadata.system != config.services.unavailable_value # TODO check symmetry where we know it should be there