def test_molecules_mixed_add_get(storage_socket):
water = ptl.data.get_molecule("water_dimer_minima.psimol")
ret = storage_socket.get_add_molecules_mixed([bad_id1, water, bad_id2, "bad_id"])
assert ret["data"][0] is None
assert ret["data"][1].identifiers.molecule_hash == water.get_hash()
assert ret["data"][2] is None
assert set(ret["meta"]["missing"]) == {0, 2, 3}
# Cleanup adds
ret = storage_socket.del_molecules(id=ret["data"][1].id)
assert ret == 1
def test_molecules_mixed_add_get(storage_socket):
water = ptl.data.get_molecule("water_dimer_minima.psimol")
water2 = ptl.data.get_molecule("water_dimer_stretch.psimol")
del_ids = []
water2_id = storage_socket.add_molecules([water2])["data"][0]
del_ids.append(water2_id)
ret = storage_socket.get_add_molecules_mixed(
[bad_id1, water, bad_id2, water2_id])
assert ret["data"][0] is None
assert ret["data"][1].identifiers.molecule_hash == water.get_hash()
assert ret["data"][2] is None
assert ret["data"][3].id == water2_id
assert set(ret["meta"]["missing"]) == {0, 2}
# Cleanup adds
del_ids.append(ret["data"][1].id)
ret = storage_socket.del_molecules(id=del_ids)
assert ret == 2
