diff --git a/apps/+example/example.py b/apps/+example/example.py new file mode 100644 index 0000000..844edc9 --- /dev/null +++ b/apps/+example/example.py @@ -0,0 +1,43 @@ +#!/usr/bin/env python +# -*- coding: utf-8 -*- +# :noTabs=true: + +# (c) Copyright Rosetta Commons Member Institutions. +# (c) This file is part of the Rosetta software suite and is made available under license. +# (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. +# (c) For more information, see http://www.rosettacommons.org. Questions about this can be +# (c) addressed to University of Washington CoMotion, email: license@uw.edu. + +## @file example.py +## @brief Example PyRosetta app +## @author Sergey Lyskov + +from __future__ import print_function + +import sys, argparse + +import pyrosetta + +def app_function(s): + ''' dummy app function + ''' + return '__q' + s + 'w__' + + +def main(args): + ''' Example PyRosetta app script ''' + + parser = argparse.ArgumentParser() + parser.add_argument('-j', '--jobs', default=1, const=0, nargs="?", type=int, help="Number of processors to use on when building, use '-j' with no arguments to launch job-per-core. (default: 1) ") + parser.add_argument("--multi-choice", default='Release', choices=['Release', 'Debug', 'MinSizeRel', 'RelWithDebInfo'], help="Specify one of the allowed values") + parser.add_argument('-s', '--skip-generation-phase', action="store_true", help="Example of true/false option") + + global Options + Options = parser.parse_args() + + print( 'PyRosetta example app, running with options: {Options}...'.format(**vars()) ) + print('PyRosetta example app... Done!') + + +if __name__ == "__main__": + main(sys.argv) diff --git a/apps/+example/test_example.py b/apps/+example/test_example.py new file mode 100644 index 0000000..40cdb16 --- /dev/null +++ b/apps/+example/test_example.py @@ -0,0 +1,31 @@ +#!/usr/bin/env python +# -*- coding: utf-8 -*- +# :noTabs=true: + +# (c) Copyright Rosetta Commons Member Institutions. +# (c) This file is part of the Rosetta software suite and is made available under license. +# (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. +# (c) For more information, see http://www.rosettacommons.org. Questions about this can be +# (c) addressed to University of Washington CoMotion, email: license@uw.edu. + +## @file test_example.py +## @brief test file example.py app +## @author Sergey Lyskov + +from __future__ import print_function + +import example + +import pytest + + +def test_app_function(): + ''' defining test function as 'test_' + test-name, such function will be automatically executed by test framework + ''' + assert example.app_function('A') == '__qAw__' + + +# def test_app_function2(): +# ''' This test will always fail +# ''' +# assert False diff --git a/apps/PeptideDesign/huabai/PP2_hash_table/._calc_const_PP2.py b/apps/PeptideDesign/huabai/PP2_hash_table/._calc_const_PP2.py deleted file mode 100644 index 87ae8e9..0000000 Binary files a/apps/PeptideDesign/huabai/PP2_hash_table/._calc_const_PP2.py and /dev/null differ diff --git a/apps/PeptideDesign/huabai/PP2_hash_table/._hash_orient.py b/apps/PeptideDesign/huabai/PP2_hash_table/._hash_orient.py deleted file mode 100644 index de24994..0000000 Binary files a/apps/PeptideDesign/huabai/PP2_hash_table/._hash_orient.py and /dev/null differ diff --git a/apps/PeptideDesign/huabai/PP2_hash_table/._hash_orient_forPP2unique.py b/apps/PeptideDesign/huabai/PP2_hash_table/._hash_orient_forPP2unique.py deleted file mode 100644 index 3e6dd4e..0000000 Binary files a/apps/PeptideDesign/huabai/PP2_hash_table/._hash_orient_forPP2unique.py and /dev/null differ diff --git a/apps/PeptideDesign/huabai/PP2_hash_table/._test.py b/apps/PeptideDesign/huabai/PP2_hash_table/._test.py deleted file mode 100644 index b1bd661..0000000 Binary files a/apps/PeptideDesign/huabai/PP2_hash_table/._test.py and /dev/null differ