Author: bugman Date: Mon Dec 10 18:32:38 2012 New Revision: 18096 URL: http://svn.gna.org/viewcvs/relax?rev=18096&view=rev Log: Expanded the Interatomic.test_copy system test to check interatomic.copy without spin IDs. Modified: trunk/test_suite/system_tests/interatomic.py Modified: trunk/test_suite/system_tests/interatomic.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/interatomic.py?rev=18096&r1=18095&r2=18096&view=diff ============================================================================== --- trunk/test_suite/system_tests/interatomic.py (original) +++ trunk/test_suite/system_tests/interatomic.py Mon Dec 10 18:32:38 2012 @@ -28,6 +28,7 @@ # relax module imports. from data import Relax_data_store; ds = Relax_data_store() +from relax_errors import RelaxNoSpinError from status import Status; status = Status() from test_suite.system_tests.base_classes import SystemTestCase @@ -66,22 +67,40 @@ self.interpreter.interatomic.copy(pipe_from='orig', spin_id1=':2@N', spin_id2=':2@H') self.interpreter.interatomic.copy(pipe_from='orig', spin_id1=':1@H', spin_id2=':1@N') - # Check the sequence data. - self.assertEqual(cdp.mol[0].name, 'Test mol') - self.assertEqual(cdp.mol[0].res[0].name, 'His') - self.assertEqual(cdp.mol[0].res[0].spin[0].name, 'N') - self.assertEqual(cdp.mol[0].res[0].spin[1].name, 'H') - self.assertEqual(cdp.mol[0].res[1].name, 'His') - self.assertEqual(cdp.mol[0].res[1].spin[0].name, 'N') - self.assertEqual(cdp.mol[0].res[1].spin[1].name, 'H') + # Create a new data pipe to copy the data to. + self.interpreter.pipe.create(pipe_name="new 2", pipe_type='N-state') - # Check the interatomic data. - self.assertEqual(cdp.interatomic[0].spin_id1, ':2@N') - self.assertEqual(cdp.interatomic[0].spin_id2, ':2@H') - self.assertEqual(cdp.interatomic[0].y, 2) - self.assertEqual(cdp.interatomic[1].spin_id1, ':1@N') - self.assertEqual(cdp.interatomic[1].spin_id2, ':1@H') - self.assertEqual(cdp.interatomic[1].x, 1) + # Copy the data. + try: + self.interpreter.interatomic.copy(pipe_from='orig') + except RelaxNoSpinError: + print("Correct RelaxError encountered.") + self.interpreter.sequence.copy(pipe_from='orig') + self.interpreter.interatomic.copy(pipe_from='orig') + + # Loop over the two new pipes. + interatom_index = [[0, 1], [1, 0]] + pipes = ['new', 'new 2'] + for i in range(len(pipes)): + # Switch pipes. + self.interpreter.pipe.switch(pipes[i]) + + # Check the sequence data. + self.assertEqual(cdp.mol[0].name, 'Test mol') + self.assertEqual(cdp.mol[0].res[0].name, 'His') + self.assertEqual(cdp.mol[0].res[0].spin[0].name, 'N') + self.assertEqual(cdp.mol[0].res[0].spin[1].name, 'H') + self.assertEqual(cdp.mol[0].res[1].name, 'His') + self.assertEqual(cdp.mol[0].res[1].spin[0].name, 'N') + self.assertEqual(cdp.mol[0].res[1].spin[1].name, 'H') + + # Check the interatomic data. + self.assertEqual(cdp.interatomic[interatom_index[i][0]].spin_id1, ':2@N') + self.assertEqual(cdp.interatomic[interatom_index[i][0]].spin_id2, ':2@H') + self.assertEqual(cdp.interatomic[interatom_index[i][0]].y, 2) + self.assertEqual(cdp.interatomic[interatom_index[i][1]].spin_id1, ':1@N') + self.assertEqual(cdp.interatomic[interatom_index[i][1]].spin_id2, ':1@H') + self.assertEqual(cdp.interatomic[interatom_index[i][1]].x, 1) def test_manipulation(self):