def test_rotate_basis_reverse(self):
rotation_matrix_reverse = numpy.zeros((self.n_qubits, self.n_qubits))
rotation_matrix_reverse[0, 1] = 1
rotation_matrix_reverse[1, 0] = 1
one_body = numpy.zeros((self.n_qubits, self.n_qubits))
two_body = numpy.zeros((self.n_qubits, self.n_qubits,
self.n_qubits, self.n_qubits))
one_body_reverse = numpy.zeros((self.n_qubits, self.n_qubits))
two_body_reverse = numpy.zeros((self.n_qubits, self.n_qubits,
self.n_qubits, self.n_qubits))
i = 0
j = 0
i_reverse = pow(self.n_qubits, 2) - 1
j_reverse = pow(self.n_qubits, 4) - 1
for p in range(self.n_qubits):
for q in range(self.n_qubits):
one_body[p, q] = i
i = i + 1
one_body_reverse[p, q] = i_reverse
i_reverse = i_reverse - 1
for r in range(self.n_qubits):
for s in range(self.n_qubits):
two_body[p, q, r, s] = j
j = j + 1
two_body_reverse[p, q, r, s] = j_reverse
j_reverse = j_reverse - 1
polynomial_tensor = PolynomialTensor(
{(): self.constant, (1, 0): one_body, (1, 1, 0, 0): two_body})
want_polynomial_tensor = PolynomialTensor(
{(): self.constant, (1, 0): one_body_reverse,
(1, 1, 0, 0): two_body_reverse})
polynomial_tensor.rotate_basis(rotation_matrix_reverse)
self.assertEqual(polynomial_tensor, want_polynomial_tensor)
def test_mul(self):
new_tensor = self.polynomial_tensor_a * self.polynomial_tensor_b
self.assertEqual(new_tensor, self.polynomial_tensor_axb)
new_tensor_1 = self.polynomial_tensor_a * 2.
new_tensor_2 = 2. * self.polynomial_tensor_a
self.assertEqual(
new_tensor_1,
PolynomialTensor({
(): self.constant * 2.,
(1, 0): self.one_body_a * 2.,
(1, 1, 0, 0): self.two_body_a * 2.
}))
self.assertEqual(
new_tensor_2,
PolynomialTensor({
(): self.constant * 2.,
(1, 0): self.one_body_a * 2.,
(1, 1, 0, 0): self.two_body_a * 2.
}))
self.assertEqual(get_fermion_operator(new_tensor_1),
get_fermion_operator(self.polynomial_tensor_a) * 2.)
self.assertEqual(get_fermion_operator(new_tensor_2),
get_fermion_operator(self.polynomial_tensor_a) * 2.)
def test_rotate_basis_identical(self):
rotation_matrix_identical = numpy.zeros((self.n_qubits, self.n_qubits))
rotation_matrix_identical[0, 0] = 1
rotation_matrix_identical[1, 1] = 1
one_body = numpy.zeros((self.n_qubits, self.n_qubits))
two_body = numpy.zeros(
(self.n_qubits, self.n_qubits, self.n_qubits, self.n_qubits))
one_body_spinful = numpy.zeros((2 * self.n_qubits, 2 * self.n_qubits))
two_body_spinful = numpy.zeros((2 * self.n_qubits, 2 * self.n_qubits,
2 * self.n_qubits, 2 * self.n_qubits))
i = 0
j = 0
for p in range(self.n_qubits):
for q in range(self.n_qubits):
one_body[p, q] = i
one_body_spinful[p, q] = i
one_body_spinful[p + self.n_qubits, q + self.n_qubits] = i
i = i + 1
for r in range(self.n_qubits):
for s in range(self.n_qubits):
two_body[p, q, r, s] = j
two_body_spinful[p, q, r, s] = j
two_body_spinful[p + self.n_qubits, q + self.n_qubits,
r + self.n_qubits,
s + self.n_qubits] = j
j = j + 1
polynomial_tensor = PolynomialTensor({
(): self.constant,
(1, 0): one_body,
(1, 1, 0, 0): two_body
})
want_polynomial_tensor = PolynomialTensor({
(): self.constant,
(1, 0): one_body,
(1, 1, 0, 0): two_body
})
polynomial_tensor_spinful = PolynomialTensor({
():
self.constant,
(1, 0):
one_body_spinful,
(1, 1, 0, 0):
two_body_spinful
})
want_polynomial_tensor_spinful = PolynomialTensor({
():
self.constant,
(1, 0):
one_body_spinful,
(1, 1, 0, 0):
two_body_spinful
})
polynomial_tensor.rotate_basis(rotation_matrix_identical)
polynomial_tensor_spinful.rotate_basis(rotation_matrix_identical)
self.assertEqual(polynomial_tensor, want_polynomial_tensor)
self.assertEqual(polynomial_tensor_spinful,
want_polynomial_tensor_spinful)
def test_iter_and_str(self):
one_body = numpy.zeros((self.n_qubits, self.n_qubits))
two_body = numpy.zeros((self.n_qubits, self.n_qubits,
self.n_qubits, self.n_qubits))
one_body[0, 1] = 11.0
two_body[0, 1, 1, 0] = 22.0
polynomial_tensor = PolynomialTensor(
{(): self.constant, (1, 0): one_body, (1, 1, 0, 0): two_body})
want_str = ('() 23.0\n((0, 1), (1, 0)) 11.0\n'
'((0, 1), (1, 1), (1, 0), (0, 0)) 22.0\n')
self.assertEqual(str(polynomial_tensor), want_str)
self.assertEqual(polynomial_tensor.__repr__(), want_str)
def do_rotate_basis_high_order(self, order):
key = (1, ) * (order // 2) + (0, ) * ((order + 1) // 2)
shape = (1, ) * order
num = numpy.random.rand()
rotation = numpy.exp(numpy.random.rand() * numpy.pi * 2j)
polynomial_tensor = PolynomialTensor({key: numpy.zeros(shape) + num})
# If order is odd, there are one more 0 than 1 in key
if order % 2 == 1: num *= rotation
want_polynomial_tensor = PolynomialTensor(
{key: numpy.zeros(shape) + num})
polynomial_tensor.rotate_basis(numpy.array([[rotation]]))
return polynomial_tensor, want_polynomial_tensor
def test_different_keys_mult(self):
result = self.polynomial_tensor_a * self.polynomial_tensor_operand
expected = PolynomialTensor({
(1, 0):
numpy.multiply(self.one_body_a, self.one_body_operand)
})
self.assertEqual(result, expected)
def test_div(self):
new_tensor = self.polynomial_tensor_a / 2.
self.assertEqual(new_tensor, PolynomialTensor(
{(): self.constant / 2.,
(1, 0): self.one_body_a / 2.,
(1, 1, 0, 0): self.two_body_a / 2.}))
self.assertEqual(get_fermion_operator(new_tensor),
get_fermion_operator(self.polynomial_tensor_a) / 2.)
def test_different_keys_sub(self):
result = self.polynomial_tensor_a - self.polynomial_tensor_operand
expected = PolynomialTensor(
{(): self.constant,
(1, 0): numpy.subtract(self.one_body_a, self.one_body_operand),
(1, 1, 0, 0): self.two_body_a,
(0, 0, 1, 1): self.two_body_operand})
self.assertEqual(result, expected)
def test_idiv(self):
new_tensor = copy.deepcopy(self.polynomial_tensor_a)
new_tensor /= 3.
self.assertEqual(new_tensor, PolynomialTensor(
{(): self.constant / 3.,
(1, 0): self.one_body_a / 3.,
(1, 1, 0, 0): self.two_body_a / 3.}))
self.assertEqual(get_fermion_operator(new_tensor),
get_fermion_operator(self.polynomial_tensor_a) / 3.)
def test_mod(self):
new_constant = 2.0
new_one_body = numpy.zeros_like(self.one_body_a)
new_one_body[0, 1] = 2
new_two_body = numpy.zeros_like(self.two_body_a)
new_two_body[0, 1, 0, 1] = 1
new_two_body[1, 1, 0, 0] = 2
new_tensor = PolynomialTensor({(): new_constant,
(1, 0): new_one_body, (1, 1, 0, 0): new_two_body})
assert new_tensor == (self.polynomial_tensor_a % 3)
def test_init_none(self):
n_qubits = 2
constant = 23.0
one_body = numpy.zeros((self.n_qubits, self.n_qubits))
two_body = numpy.zeros((self.n_qubits, self.n_qubits,
self.n_qubits, self.n_qubits))
one_body[0, 1] = 2
one_body[1, 0] = 3
two_body[0, 1, 0, 1] = 4
two_body[1, 1, 0, 0] = 5
polynomial_tensor = PolynomialTensor(
None,
{(1, 0): one_body, (1, 1, 0, 0): two_body})
self.assertAlmostEqual(polynomial_tensor.constant, 0.)
self.polynomial_tensor_a[()] = 0.
self.assertAlmostEqual(self.polynomial_tensor_a, polynomial_tensor)
self.polynomial_tensor_a[()] = self.constant
def setUp(self):
self.n_qubits = 2
self.constant = 23.0
one_body_a = numpy.zeros((self.n_qubits, self.n_qubits))
two_body_a = numpy.zeros((self.n_qubits, self.n_qubits,
self.n_qubits, self.n_qubits))
one_body_a[0, 1] = 2
one_body_a[1, 0] = 3
two_body_a[0, 1, 0, 1] = 4
two_body_a[1, 1, 0, 0] = 5
self.one_body_a = one_body_a
self.two_body_a = two_body_a
self.polynomial_tensor_a = PolynomialTensor(
{(): self.constant, (1, 0): one_body_a, (1, 1, 0, 0): two_body_a})
self.one_body_operand = numpy.zeros((self.n_qubits, self.n_qubits))
self.two_body_operand = numpy.zeros((self.n_qubits, self.n_qubits,
self.n_qubits, self.n_qubits))
self.one_body_operand[0, 1] = 6
self.one_body_operand[1, 0] = 7
self.two_body_operand[0, 1, 0, 1] = 8
self.two_body_operand[1, 1, 0, 0] = 9
self.polynomial_tensor_operand = PolynomialTensor(
{(1, 0): self.one_body_operand,
(0, 0, 1, 1): self.two_body_operand})
self.polynomial_tensor_a_with_zeros = PolynomialTensor(
{(): self.constant, (1, 0): one_body_a, (1, 1, 0, 0): two_body_a,
(1, 1, 0, 0, 0, 0): numpy.zeros([self.n_qubits] * 6)})
one_body_na = numpy.zeros((self.n_qubits, self.n_qubits))
two_body_na = numpy.zeros((self.n_qubits, self.n_qubits,
self.n_qubits, self.n_qubits))
one_body_na[0, 1] = -2
one_body_na[1, 0] = -3
two_body_na[0, 1, 0, 1] = -4
two_body_na[1, 1, 0, 0] = -5
self.polynomial_tensor_na = PolynomialTensor(
{(): -self.constant, (1, 0): one_body_na,
(1, 1, 0, 0): two_body_na})
one_body_b = numpy.zeros((self.n_qubits, self.n_qubits))
two_body_b = numpy.zeros((self.n_qubits, self.n_qubits,
self.n_qubits, self.n_qubits))
one_body_b[0, 1] = 1
one_body_b[1, 0] = 2
two_body_b[0, 1, 0, 1] = 3
two_body_b[1, 0, 0, 1] = 4
self.polynomial_tensor_b = PolynomialTensor(
{(): self.constant, (1, 0): one_body_b,
(1, 1, 0, 0): two_body_b})
one_body_ab = numpy.zeros((self.n_qubits, self.n_qubits))
two_body_ab = numpy.zeros((self.n_qubits, self.n_qubits,
self.n_qubits, self.n_qubits))
one_body_ab[0, 1] = 3
one_body_ab[1, 0] = 5
two_body_ab[0, 1, 0, 1] = 7
two_body_ab[1, 0, 0, 1] = 4
two_body_ab[1, 1, 0, 0] = 5
self.polynomial_tensor_ab = PolynomialTensor(
{(): 2.0 * self.constant, (1, 0): one_body_ab,
(1, 1, 0, 0): two_body_ab})
constant_axb = self.constant * self.constant
one_body_axb = numpy.zeros((self.n_qubits, self.n_qubits))
two_body_axb = numpy.zeros((self.n_qubits, self.n_qubits,
self.n_qubits, self.n_qubits))
one_body_axb[0, 1] = 2
one_body_axb[1, 0] = 6
two_body_axb[0, 1, 0, 1] = 12
self.polynomial_tensor_axb = PolynomialTensor(
{(): constant_axb, (1, 0): one_body_axb,
(1, 1, 0, 0): two_body_axb})
self.n_qubits_plus_one = self.n_qubits + 1
one_body_c = numpy.zeros((self.n_qubits_plus_one,
self.n_qubits_plus_one))
two_body_c = numpy.zeros((self.n_qubits_plus_one,
self.n_qubits_plus_one,
self.n_qubits_plus_one,
self.n_qubits_plus_one))
one_body_c[0, 1] = 1
one_body_c[1, 0] = 2
two_body_c[0, 1, 0, 1] = 3
two_body_c[1, 0, 0, 1] = 4
self.polynomial_tensor_c = PolynomialTensor(
{(): self.constant, (1, 0): one_body_c,
(1, 1, 0, 0): two_body_c})
one_body_hole = numpy.zeros((self.n_qubits, self.n_qubits))
two_body_hole = numpy.zeros((self.n_qubits, self.n_qubits,
self.n_qubits, self.n_qubits))
one_body_hole[0, 1] = 2
one_body_hole[1, 0] = 3
two_body_hole[0, 1, 0, 1] = 4
two_body_hole[1, 1, 0, 0] = 5
self.polynomial_tensor_hole = PolynomialTensor(
{(): self.constant, (0, 1): one_body_hole,
(0, 0, 1, 1): two_body_hole})
one_body_spinful = numpy.zeros((2 * self.n_qubits, 2 * self.n_qubits))
two_body_spinful = numpy.zeros((2 * self.n_qubits, 2 * self.n_qubits,
2 * self.n_qubits, 2 * self.n_qubits))
one_body_spinful[0, 1] = 2
one_body_spinful[1, 0] = 3
one_body_spinful[2, 3] = 6
one_body_spinful[3, 2] = 7
two_body_spinful[0, 1, 0, 1] = 4
two_body_spinful[1, 1, 0, 0] = 5
two_body_spinful[2, 1, 2, 3] = 8
two_body_spinful[3, 3, 2, 2] = 9
self.polynomial_tensor_spinful = PolynomialTensor(
{(): self.constant, (1, 0): one_body_spinful,
(1, 1, 0, 0): two_body_spinful})