def yaml_read_irred_perts(filename, doc_tag="!IrredPerts"):
"""Read the list of irreducible perturbations from file."""
with YamlTokenizer(filename) as r:
doc = r.next_doc_with_tag(doc_tag)
d = yaml.safe_load(doc.text_notag)
return [AttrDict(**pert) for pert in d["irred_perts"]]
def yaml_read_kpoints(filename, doc_tag="!Kpoints"):
"""Read the K-points from file."""
with YamlTokenizer(filename) as r:
doc = r.next_doc_with_tag(doc_tag)
d = yaml.safe_load(doc.text_notag)
return np.array(d["reduced_coordinates_of_qpoints"])
def test_database_version(self):
with MPRester(notify_db_version=True) as mpr:
db_version = mpr.get_database_version()
self.assertIsInstance(db_version, str)
with open(SETTINGS_FILE, "rt") as f:
d = yaml.safe_load(f)
self.assertEqual(d["MAPI_DB_VERSION"]["LAST_ACCESSED"], db_version)
self.assertIsInstance(d["MAPI_DB_VERSION"]["LOG"][db_version], int)
def as_dict(self):
"""Use Yaml to parse the text (without the tag) and returns a dictionary."""
return yaml.safe_load(self.text_notag)