test_external_programs.py 文件源码

def test_test_dssp(self):
        """Test if ISAMBARD can detect DSSP, check its availability and behave accordingly."""
        old_path = isambard.settings.global_settings['dssp']['path']
        try:
            avail = isambard.external_programs.dssp.test_dssp()
            self.assertTrue(avail)
            helix = isambard.specifications.Helix(30)

            dssp_out_ampal = isambard.external_programs.dssp.run_dssp(helix.pdb, path=False)
            self.assertEqual(type(dssp_out_ampal), str)

            isambard.settings.global_settings['dssp']['path'] = ''
            avail = isambard.external_programs.dssp.test_dssp()
            isambard.settings.global_settings['dssp']['available'] = avail
            self.assertFalse(avail)

            dssp_out_ampal = isambard.external_programs.dssp.run_dssp(helix.pdb, path=False)
            self.assertIsNone(dssp_out_ampal)
        finally:
            isambard.settings.global_settings['dssp']['path'] = old_path
            isambard.settings.global_settings['dssp']['available'] = isambard.external_programs.dssp.test_dssp()