def test_Atoms__getattr__():
"""Tests the mothed Atoms.__getattr__
"""
from matdb.atoms import Atoms
at1 = Atoms("Co3W2V3",positions=[[0,0,0],[0.25,0.25,0.25],[0.5,0.5,0],[1.75,1.75,1.25],
[1.5,1,1.5],[2.75,2.25,2.75],[2,2.5,2.5],[2.25,2.75,2.75]],
cell=[5.43,5.43,5.43],info={"params":{"vasp_energy": 1234}, "properties":{}})
assert at1.__getattr__("params") == {"vasp_energy": 1234}
assert at1.__getattr__("properties") == {}
assert np.allclose(at1.__getattr__("cell"), [[5.43, 0. , 0. ], [0. , 5.43, 0. ], [0. , 0. , 5.43]])
assert np.allclose(at1.__getattr__("positions"), [[0,0,0],[0.25,0.25,0.25],[0.5,0.5,0],[1.75,1.75,1.25],
[1.5,1,1.5],[2.75,2.25,2.75],[2,2.5,2.5],[2.25,2.75,2.75]])
at2 = Atoms("Co3W2V3", cell=[5.43,5.43,5.43])
del at2.__dict__["info"]
assert not hasattr(at2,"info")
assert np.allclose(at2.__getattr__("cell"), [[5.43, 0. , 0. ], [0. , 5.43, 0. ], [0. , 0. , 5.43]])
def test_Atoms__setattr__():
"""Tests the mothed Atoms.__setattr__
"""
from matdb.atoms import Atoms
at1 = Atoms("Co3W2V3")
at1.__setattr__("params", {"vasp_energy": 1234})
at1.__setattr__("properties", {"rank": 21})
at1.__setattr__("cell", [[5.43, 0. , 0. ], [0. , 5.43, 0. ], [0. , 0. , 5.43]])
at1.__setattr__("positions", [[0,0,0],[0.25,0.25,0.25],[0.5,0.5,0],[1.75,1.75,1.25],
[1.5,1,1.5],[2.75,2.25,2.75],[2,2.5,2.5],[2.25,2.75,2.75]])
assert at1.__getattr__("params") == {"vasp_energy": 1234}
assert at1.__getattr__("properties") == {"rank": 21}
assert np.allclose(at1.__getattr__("cell"), [[5.43, 0. , 0. ], [0. , 5.43, 0. ], [0. , 0. , 5.43]])
assert np.allclose(at1.__getattr__("positions"), [[0,0,0],[0.25,0.25,0.25],[0.5,0.5,0],[1.75,1.75,1.25],
[1.5,1,1.5],[2.75,2.25,2.75],[2,2.5,2.5],[2.25,2.75,2.75]])
at1.__setattr__("rank", 22)
assert at1.__getattr__("rank") == 22
at1.__setattr__("vasp_energy", 4321)
assert at1.__getattr__("vasp_energy") == 4321
