def test_bitstring_invalid_input(self):
"""Test passing invalid input raises."""
with self.subTest('too many particles'):
with self.assertRaises(ValueError):
_ = hartree_fock_bitstring(4, (3, 3))
with self.subTest('too few orbitals'):
with self.assertRaises(ValueError):
_ = hartree_fock_bitstring(-1, (2, 2))
def test_bitstring_invalid_input(self):
"""Test passing invalid input raises."""
with self.subTest('too many particles'):
with self.assertRaises(ValueError):
_ = hartree_fock_bitstring(4, 4, 'jordan-wigner')
with self.subTest('too few orbitals'):
with self.assertRaises(ValueError):
_ = hartree_fock_bitstring(-1, 4, 'parity', True)
with self.subTest('invalid qubit mapping'):
with self.assertRaises(ValueError):
_ = hartree_fock_bitstring(4, 2, 'parit', True)
def symmetry_sector_locator(self, z2_symmetries: Z2Symmetries) -> Optional[List[int]]:
"""Given the detected Z2Symmetries can determine the correct sector of the tapered
operators so the correct one can be returned
Args:
z2_symmetries: the z2 symmetries object.
Returns:
The sector of the tapered operators with the problem solution.
"""
q_molecule = cast(QMolecule, self._molecule_data_transformed)
hf_bitstr = hartree_fock_bitstring(
num_spin_orbitals=2 * q_molecule.num_molecular_orbitals,
num_particles=self.num_particles)
sector_locator = self._pick_sector(z2_symmetries, hf_bitstr)
return sector_locator
def test_bitstring(self):
"""Simple test for the bitstring function."""
bitstr = hartree_fock_bitstring(4, (1, 1))
self.assertTrue(all(bitstr == np.array([True, False, True, False])))
def test_bitstring(self):
"""Simple test for the bitstring function."""
bitstr = hartree_fock_bitstring(4, 2, 'parity', True)
self.assertTrue(all(
bitstr[::-1] == np.array([True, False]))) # big endian notation