def test_confirm_failure():
"""Check failure cases."""
symmetry = [
[[1, 2], 1.0, False],
[[2, 1], 1.0, True],
]
temp = np.random.rand(4, 4) + np.random.rand(4, 4) * 1.0j
matrix = temp + np.conjugate(temp.T)
matrix[1, 0] = -matrix[0, 1]
with pytest.raises(ValueError):
tensor_utils.confirm_symmetry(matrix, symmetry)
def test_confirm_symmetry_four_index_conjugate():
"""Check that complex conjugation is built correctly."""
symmetry = [
[[1, 2, 3, 4], 1.0, False],
[[2, 1, 3, 4], 1.0, True],
[[1, 2, 4, 3], 1.0, True],
]
matrix = np.zeros((2, 2, 2, 2), dtype=np.complex64)
matrix[0, 0, 0, 0] = 1.0
matrix[1, 0, 0, 0] = 1.5
matrix[0, 1, 0, 0] = 1.5
matrix[0, 0, 1, 0] = 2.0
matrix[0, 0, 0, 1] = 2.0
matrix[1, 1, 0, 0] = 2.5 - 0.0j
matrix[0, 0, 1, 1] = 3.0 + 0.0j
matrix[0, 1, 1, 1] = 3.5
matrix[1, 0, 1, 1] = 3.5
matrix[1, 1, 0, 1] = 4.0
matrix[1, 1, 1, 0] = 4.0
matrix[1, 0, 1, 0] = 5.0 + 1.0j
matrix[0, 1, 1, 0] = 5.0 - 1.0j
matrix[1, 0, 0, 1] = 5.0 - 1.0j
matrix[0, 1, 0, 1] = 5.0 + 1.0j
matrix[1, 1, 1, 1] = 6.0
assert tensor_utils.confirm_symmetry(matrix, symmetry) is None
def test_confirm_symmetry_real():
"""Check that real symmetry is obeyed."""
symmetry = [[[1, 2, 3, 4], 1.0, True]]
matrix = np.zeros((2, 2, 2, 2), dtype=np.complex64)
matrix[0, 0, 0, 0] = 1.0 + 0.0j
matrix[1, 1, 0, 0] = 2.0 + 0.0j
matrix[0, 0, 1, 1] = 2.0 + 0.0j
matrix[1, 1, 1, 1] = 3.0 + 0.0j
assert tensor_utils.confirm_symmetry(matrix, symmetry) is None
def test_confirm_symmetry_four_index_all():
"""Check that all symmetry operations are built correctly."""
test = [
[[1, 2, 3, 4], 1.0, False],
[[2, 1, 3, 4], -1.0, True],
[[1, 2, 4, 3], 1.0, True],
[[1, 4, 2, 3], 1.0, False],
[[4, 3, 2, 1], 1.0, False],
]
matrix = np.zeros((2, 2, 2, 2), dtype=np.complex64)
assert tensor_utils.confirm_symmetry(matrix, test) is None
def test_confirm_hermitian():
"""Check Hermitian cases."""
symmetry = [
[[1, 2], 1.0, False],
[[2, 1], 1.0, True],
]
temp = np.random.rand(4, 4) + np.random.rand(4, 4) * 1.0j
matrix = temp + np.conjugate(temp.T)
assert tensor_utils.confirm_symmetry(matrix, symmetry) is None
def test_confirm_anti_symmetric():
"""Check antisymmetric cases."""
symmetry = [
[[1, 2], 1.0, False],
[[2, 1], -1.0, False],
]
temp = np.random.rand(4, 4) + np.random.rand(4, 4) * 1.0j
matrix = temp - temp.T
assert tensor_utils.confirm_symmetry(matrix, symmetry) is None
def test_only_unity():
"""If the only symmetry is unity there is no validation to do."""
symmetry = [[[1, 2], 1.0, False]]
temp = np.random.rand(4, 4) + np.random.rand(4, 4) * 1.0j
assert tensor_utils.confirm_symmetry(temp, symmetry) is None