def test_is_normal_ordered_empty(self):
op = FermionOperator() * 2
self.assertTrue(op.is_normal_ordered())
def test_number_operator_site(self):
op = number_operator(3, 2, 1j)
self.assertTrue(op.isclose(FermionOperator(((2, 1), (2, 0))) * 1j))
def test_number_operator_nosite(self):
op = number_operator(4)
expected = (FermionOperator(((0, 1), (0, 0))) + FermionOperator(
((1, 1), (1, 0))) + FermionOperator(
((2, 1), (2, 0))) + FermionOperator(((3, 1), (3, 0))))
self.assertTrue(op.isclose(expected))
def test_freeze_orbitals_nonvanishing(self):
op = FermionOperator(((1, 1), (1, 0), (0, 1), (2, 0)))
op_frozen = freeze_orbitals(op, [1])
expected = FermionOperator(((0, 1), (1, 0)), -1)
self.assertTrue(op_frozen.isclose(expected))
def test_freeze_orbitals_vanishing(self):
op = FermionOperator(((1, 1), (2, 0)))
op_frozen = freeze_orbitals(op, [], [2])
self.assertEquals(len(op_frozen.terms), 0)
def test_is_molecular_term_three(self):
op = FermionOperator(((0, 1), (2, 1), (4, 0)))
self.assertFalse(op.is_molecular_term())
def test_is_molecular_term_out_of_order(self):
op = FermionOperator(((0, 1), (2, 0), (1, 1), (3, 0)))
self.assertTrue(op.is_molecular_term())
def test_is_molecular_term_downup_badspin(self):
op = FermionOperator(((2, 0), (3, 1)))
self.assertFalse(op.is_molecular_term())
def test_is_molecular_term_downup(self):
op = FermionOperator(((2, 0), (4, 1)))
self.assertTrue(op.is_molecular_term())
def test_is_molecular_term_FermionOperator(self):
op = FermionOperator()
self.assertTrue(op.is_molecular_term())
def test_normal_ordered_multi(self):
op = FermionOperator(((2, 0), (1, 1), (2, 1)))
expected = (-FermionOperator(
((2, 1), (1, 1), (2, 0))) - FermionOperator(((1, 1), )))
self.assertTrue(expected.isclose(normal_ordered(op)))
def test_normal_ordered_double_create_separated(self):
op = FermionOperator(((3, 1), (2, 0), (3, 1)))
expected = FermionOperator((), 0.0)
self.assertTrue(expected.isclose(normal_ordered(op)))
