def test_list_methods(self): atoms1 = StructureAtoms() for Z in range(100, 0, -1): atoms1.append(StructureAtom(Z=Z)) atoms1.sort(key=lambda a: a.Z) atoms2 = StructureAtoms() for Z in range(1, 101): atoms2.append(StructureAtom(Z=Z)) assert_equal(atoms1, atoms2)
def __init__(self, *args, **kwargs): super().__init__(*args, **kwargs) self._atoms = StructureAtoms() self._crystal_cell = CrystalCell()