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
def test_construct_MatOptModel(): canvas = test_construct_Canvas() a0, a1 = test_construct_Atom() atoms = [a0, a1] model = MatOptModel(canvas, atoms) return model