test_external_programs.py 文件源码

def test_test_scwrl(self):
        """Test if ISAMBARD can detect Scwrl, check its availability and behave accordingly."""
        old_path = isambard.settings.global_settings['scwrl']['path']
        try:
            avail = isambard.external_programs.scwrl.test_scwrl()
            self.assertTrue(avail)

            helix = isambard.specifications.Helix(30)
            scwrl_out = isambard.external_programs.scwrl.pack_sidechains(helix.pdb, 'V'*30, path=False)
            self.assertEqual(type(scwrl_out[0]), str)
            self.assertEqual(type(scwrl_out[1]), float)

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

            scwrl_out = isambard.external_programs.scwrl.pack_sidechains(helix.pdb, 'V'*30, path=False)
            self.assertIsNone(scwrl_out)
        finally:
            isambard.settings.global_settings['scwrl']['path'] = old_path
            isambard.settings.global_settings[
                'scwrl']['available'] = isambard.external_programs.scwrl.test_scwrl()