def test_tocuboid_complex(): sc = SuperCell([1, 1, 1, 60, 60, 60]) s = str(sc.cell) c1 = sc.toCuboid() assert np.allclose(sc.cell, c1._v) c2 = sc.toCuboid(True) assert not np.allclose(np.diagonal(c1._v), np.diagonal(c2._v))
def test_tocuboid_simple(): sc = SuperCell([1, 1, 1, 90, 90, 90]) c1 = sc.toCuboid() assert np.allclose(sc.cell, c1._v) c2 = sc.toCuboid(True) assert np.allclose(c1._v, c2._v)