restraintmaker.test package

Subpackages

Submodules

restraintmaker.test.pickle_input_test_file module

restraintmaker.test.pickle_input_test_file.test_file_dir = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files'

OPTIMIZER Input

restraintmaker.test.test_exporter module

Tests This file is testing, if the Exporter class.

It checks if:

  • output is correct file format.

  • class is constructable

class restraintmaker.test.test_exporter.test_Exporter(methodName='runTest')[source]

Bases: unittest.case.TestCase

..autoclass:: This class is testing the Exporters

in_disresObj_path1 = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/IO/in_5ligs_disres.p'
in_disresObj_path2 = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/IO/in_7ligs_disres.p'
in_solution_disres_path1 = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/IO/in_5ligs_disres.dat'
in_solution_disres_path2 = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/IO/in_7ligs_disres.dat'
out_gromos_disres_path1 = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/IO/out_5ligs_disres.dat'
out_gromos_disres_path2 = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/IO/out_7ligs_disres.dat'
setUp() → None[source]

Hook method for setting up the test fixture before exercising it.

test_Exporter_Gromacs_construct()[source]
test_Exporter_Gromacs_export_disresDat()[source]
test_Exporter_Gromacs_getargs()[source]
test_file_dir = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files'
test_files_IO = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/IO'

restraintmaker.test.test_importer module

Test Importer This file is testing, if the Exporter class.

It checks if:

  • output is correct file format.

  • class is constructable

class restraintmaker.test.test_importer.test_Importer(methodName='runTest')[source]

Bases: unittest.case.TestCase

This class is testing the Importer Class

in_disres1 = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/IO/in_5ligs_disres.dat'
in_disres2 = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/IO/in_7ligs_disres.dat'
in_pdb1 = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/test_systems/systemA/CHK1_5Ligs.pdb'
in_pdb2 = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/test_systems/systemB/BRD4_7Ligs.pdb'
setUp() → None[source]

Hook method for setting up the test fixture before exercising it.

test_Importer_Gromos_construct()[source]
test_Importer_Gromos_import_disresDat()[source]
test_Importer_Gromos_import_file_notFound()[source]
test_file_dir = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files'
test_files_io = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/IO'
test_files_structures = '/home/bschroed/Documents/projects/restraintmaker/restraintmaker/test/test_files/test_systems'

restraintmaker.test.test_optimizer module

class restraintmaker.test.test_optimizer.test_Optimizer(methodName='runTest')[source]

Bases: unittest.case.TestCase

check_restraint_results(found_restraints, expected_restraints)[source]
test_bruteForce_optimizer()[source]
test_cog_optimizer()[source]
test_prim_optimizer()[source]
test_shortest_optimizer()[source]

restraintmaker.test.test_restraintMaker_PyMol module

restraintmaker.test.test_restraintMaker_PyMol._check_optimzer_results_pairwise_5(self, exit_test_mode=False)[source]

Creates groups for all pairs which are connected. And show them all in grid mode :warning: only designed for pairwise restraints

restraintmaker.test.test_restraintMaker_PyMol._check_optimzer_results_pairwise_6(self, show_next: bool = True, exit_test_mode=False)[source]

Creates groups for all pairs which are connected. Then allow to cycle thorugh these this groups as in test mode 4

restraintmaker.test.test_restraintMaker_PyMol._optimzer_show_next_molecule_pair_2(self)[source]

Only for debugging and testing. :return: :rtype:

restraintmaker.test.test_restraintMaker_PyMol._optimzer_show_next_molecule_pair_3(self)[source]

Only for debugging and testing. :return: :rtype:

restraintmaker.test.test_restraintMaker_PyMol._test_optimizer_1(self, sele, Optimizer)[source]
Only used during programming to test some things about the optimizer.
return

rtype

restraintmaker.test.test_restraintMaker_PyMol._test_optimizer_3(self, timer_runs: int = 0)[source]

_test_optimizer_3 can be used to compare the results of the different optimizers. if timer_runs is specified the optimizers will be timed by running their make_restraint functions timer_runs time. The results will be printed to the log.

restraintmaker.test.test_restraintMaker_PyMol.timer(self, runs: int, func: Callable)[source]

Timer: Can be used

Module contents