def test_create_h_bbsc_and_h_scbb_3(self):
"""
Tests if H_BBBB Hamiltonian qubit operator is built correctly.
"""
main_chain_residue_seq = "SAACS"
side_chain_residue_sequences = ["", "", "A", "A", ""]
mj_interaction = MiyazawaJerniganInteraction()
pair_energies = mj_interaction.calculate_energy_matrix(main_chain_residue_seq)
peptide = Peptide(main_chain_residue_seq, side_chain_residue_sequences)
penalty_params = PenaltyParameters()
qubit_op_builder = QubitOpBuilder(peptide, pair_energies, penalty_params)
h_bbsc, h_scbb = qubit_op_builder._create_h_bbsc_and_h_scbb()
self.assertEqual(h_bbsc, 0)
self.assertEqual(h_scbb, 0)
def test_create_h_bbsc_and_h_scbb_2(self):
"""Tests if H_BBSC and H_SCBB Hamiltonians qubit operators are built correctly."""
main_chain_residue_seq = "APRLAA"
side_chain_residue_sequences = ["", "", "A", "A", "A", ""]
mj_interaction = MiyazawaJerniganInteraction()
pair_energies = mj_interaction.calculate_energy_matrix(main_chain_residue_seq)
peptide = Peptide(main_chain_residue_seq, side_chain_residue_sequences)
penalty_params = PenaltyParameters()
qubit_op_builder = QubitOpBuilder(peptide, pair_energies, penalty_params)
h_bbsc, h_scbb = qubit_op_builder._create_h_bbsc_and_h_scbb()
expected_path_h_bbsc = self.get_resource_path(
"test_create_h_bbsc_and_h_scbb_2_expected",
PATH,
)
expected_h_bbsc = read_expected_file(expected_path_h_bbsc)
self.assertEqual(h_bbsc, expected_h_bbsc)
self.assertEqual(h_scbb, 0)