def test_get_cnc(self): """Test get_cnc() function""" with utils.temporary_working_directory() as tmpdir: shutil.copy(os.path.join(TOPDIR, 'test', 'input', 'test.pdb'), '1abc.pdb') res, num = bmi_feature_parser.get_cnc('1abc') self.assertEqual(len(res), 8) self.assertEqual(num, ('1', '1'))
def test_get_cnc_pockets(self): """Test get_cnc() parsing of pocket information""" with utils.temporary_working_directory() as tmpdir: os.mkdir('test_out') shutil.copy(os.path.join(TOPDIR, 'test', 'input', 'test_out.pdb'), 'test_out') shutil.copy(os.path.join(TOPDIR, 'test', 'input', 'test_info.txt'), 'test_out') with utils.mocked_object(subprocess, 'check_call', mock_check_call): res, num = bmi_feature_parser.get_cnc('test') self.assertAlmostEqual(res[('ALA', 2, 'A')], 0.0, places=1) self.assertAlmostEqual(res[('ALA', 1, 'A')], 0.8, places=1)