def test_process_item(self):
item = self.materials.query_one(criteria={"pretty_formula": "Cs"})
builder = PropnetBuilder(self.materials, self.propstore)
processed = builder.process_item(item)
self.assertIsNotNone(processed)
# Ensure vickers hardness gets populated
self.assertIn("vickers_hardness", processed)
if 'created_at' in item.keys():
date_value = item['created_at']
else:
date_value = ""
# Check that provenance values propagate correctly
current_quantity = processed['vickers_hardness']['quantities'][0]
at_deepest_level = False
while not at_deepest_level:
current_provenance = current_quantity['provenance']
if current_provenance['inputs'] is not None:
self.assertEqual(current_provenance['source']['source'],
"propnet")
self.assertEqual(current_provenance['source']['source_key'],
current_quantity['internal_id'])
self.assertNotIn(current_provenance['source']['date_created'],
("", None))
current_quantity = current_provenance['inputs'][0]
else:
self.assertEqual(current_provenance['source']['source'],
"Materials Project")
self.assertEqual(current_provenance['source']['source_key'],
item['task_id'])
self.assertEqual(current_provenance['source']['date_created'],
date_value)
at_deepest_level = True
def test_process_item(self):
item = self.materials.query_one(criteria={"pretty_formula": "Cs"})
builder = PropnetBuilder(self.materials, self.propstore)
processed = builder.process_item(item)
self.assertIsNotNone(processed)
# Ensure vickers hardness gets populated
self.assertIn("vickers_hardness", processed)
def create_test_docs(self):
formulas = ["BaNiO3", "Si", "Fe2O3", "Cs"]
from maggma.advanced_stores import MongograntStore
from monty.serialization import dumpfn
mgstore = MongograntStore("ro:matgen2.lbl.gov/mp_prod", "materials")
builder = PropnetBuilder(
mgstore, self.propstore, criteria={"pretty_formula": {"$in": formulas},
"e_above_hull": 0})
builder.connect()
dumpfn(list(builder.get_items()), "test_materials.json")
def test_multiproc_runner(self):
builder = PropnetBuilder(self.materials, self.propstore)
runner = Runner([builder])
runner.run()