def test_local():
# Fetch some stuff from cirdb
db = CirDB()
bz = db.get("molecule", "norbornene")
pre_string = bz.tojson()
db = LocalDB("/tmp/testdb/")
db.store("molecule", 'norbornene', bz, nowarn=True)
post_string = db.get('molecule', 'norbornene').tojson()
assert pre_string == post_string
# Do the same thing for a system of 3 norbornenes
s = System([bz.copy() for i in range(3)])
pre_string = s.tojson()
db.store("system", 'norbornene-3', s, nowarn=True)
post_string = db.get('system', 'norbornene-3').tojson()
assert pre_string == post_string
def test_local():
# Fetch some stuff from cirdb
db = CirDB()
bz = db.get("molecule", "norbornene")
pre_string = bz.tojson()
db = LocalDB("/tmp/testdb/")
db.store("molecule", 'norbornene', bz, nowarn=True)
post_string = db.get('molecule', 'norbornene').tojson()
assert pre_string == post_string
# Do the same thing for a system of 3 norbornenes
s = System([bz.copy() for i in range(3)])
pre_string = s.tojson()
db.store("system", 'norbornene-3', s, nowarn=True)
post_string = db.get('system', 'norbornene-3').tojson()
assert pre_string == post_string
def test_cir():
db = CirDB()
bz = db.get("molecule", "norbornene")
def test_cir():
db = CirDB()
bz = db.get("molecule", "norbornene")
display_molecule(bz)