コード例 #1
0
def test_construct_SumSitesAndConfs():
    lattice = test_construct_FCCLattice()
    canvas = test_construct_Canvas()
    canvas.addLocation(np.array([0, 0, 0], dtype=float))
    canvas.addShell(lattice.getNeighbors)
    canvas.setNeighborsFromFunc(lattice.getNeighbors)
    confs = [[None] * len(canvas.NeighborhoodIndexes[0]) for _ in range(1)]
    a0, a1 = test_construct_Atom()
    atoms = [a0, a1]
    m = MatOptModel(canvas, atoms, confs)
    expression = SumSitesAndConfs(m.Zic)
    return expression
コード例 #2
0
def test_construct_MatOptModel():
    canvas = test_construct_Canvas()
    a0, a1 = test_construct_Atom()
    atoms = [a0, a1]
    model = MatOptModel(canvas, atoms)
    return model