opt.tests.single_objective.comb.drug_discovery_problem package
Submodules
opt.tests.single_objective.comb.drug_discovery_problem.test_drug_discovery_problem module
- class opt.tests.single_objective.comb.drug_discovery_problem.test_drug_discovery_problem.TestDrugDiscoveryProblem(methodName='runTest')
Bases:
TestCase- setUp()
Create a temporary JSON file with molecule data.
- tearDown()
Remove the temporary file after test.
- test_copy_method()
- test_from_input_file_empty()
- test_from_input_file_success()
- test_get_random_individual()
- test_get_random_individual_empty()
- test_init_default()
- test_load_from_file()
- test_molecules_setter_and_getter_valid()
- test_molecules_setter_invalid_element()
- test_molecules_setter_invalid_type()
- test_str_repr_format()
opt.tests.single_objective.comb.drug_discovery_problem.test_fitness module
- class opt.tests.single_objective.comb.drug_discovery_problem.test_fitness.TestFitness(methodName='runTest')
Bases:
TestCase- setUp()
Hook method for setting up the test fixture before exercising it.
- test_custom_weights()
- test_invalid_molecule_raises()
- test_qed_returns_float()
- test_qed_value_in_range()
opt.tests.single_objective.comb.drug_discovery_problem.test_ga_parameters module
- class opt.tests.single_objective.comb.drug_discovery_problem.test_ga_parameters.TestGAParameters(methodName='runTest')
Bases:
TestCase- setUp()
Get a fresh instance of GAParameters for each test.
- classmethod setUpClass()
Initialize the QApplication and Application.
- classmethod tearDownClass()
Close the application once after all tests.
- test_initial_values()
Ensure default GA parameters are correctly set.
- test_launch_button_click_updates_ui_state()
- test_set_parameters()
Simulate setting new GA parameter values.
opt.tests.single_objective.comb.drug_discovery_problem.test_hyper_parameters module
- class opt.tests.single_objective.comb.drug_discovery_problem.test_hyper_parameters.TestHyperParameters(methodName='runTest')
Bases:
TestCase- classmethod setUpClass()
Hook method for setting up class fixture before running tests in the class.
- classmethod tearDownClass()
Hook method for deconstructing the class fixture after running all tests in the class.
- test_get_sliders_widget_returns_qwidget()
- test_initial_slider_values()
- test_reset_button_resets_all_sliders()
- test_update_param_label_changes_label_and_triggers_updates()
opt.tests.single_objective.comb.drug_discovery_problem.test_main module
- class opt.tests.single_objective.comb.drug_discovery_problem.test_main.TestApplicationInitialization(methodName='runTest')
Bases:
TestCase- setUp()
Hook method for setting up the test fixture before exercising it.
- tearDown()
Hook method for deconstructing the test fixture after testing it.
- test_components_initialized()
- test_layout_structure()
- test_submit_button_behavior()
opt.tests.single_objective.comb.drug_discovery_problem.test_solver module
- class opt.tests.single_objective.comb.drug_discovery_problem.test_solver.TestGeneticAlgorithm(methodName='runTest')
Bases:
TestCase- setUp()
Hook method for setting up the test fixture before exercising it.
- test_atom_switch_mutation()
- test_crossover_fail_reuse_parents()
- test_crossover_success()
- test_deletion_mutation_fail()
- test_deletion_mutation_success()
- test_genetic_algorithm_runs()
- test_group_switch_mutation()
- test_insertion_mutation_fallback_to_deletion()
- test_insertion_mutation_success()
- test_is_valid_smiles_invalid()
- test_is_valid_smiles_valid()
- test_mutation_no_effect_when_probability_zero()
- test_selection_roulette()
- test_selection_tournament()