Author: bugman Date: Thu Oct 23 14:27:05 2014 New Revision: 26380 URL: http://svn.gna.org/viewcvs/relax?rev=26380&view=rev Log: Created the Structure.test_bug_22861_PDB_writing_chainID_fail system test.
This is to catch bug #22861 (https://gna.org/bugs/?22861), the chain IDs in the structure.write_pdb user function PDB files are incorrect after calling structure.delete. Modified: trunk/test_suite/system_tests/structure.py Modified: trunk/test_suite/system_tests/structure.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=26380&r1=26379&r2=26380&view=diff ============================================================================== --- trunk/test_suite/system_tests/structure.py (original) +++ trunk/test_suite/system_tests/structure.py Thu Oct 23 14:27:05 2014 @@ -377,6 +377,36 @@ # CoM. self.assertRaises(RelaxNoPdbError, self.interpreter.structure.com) + + + def test_bug_22861_PDB_writing_chainID_fail(self): + """Catch U{bug #22861<https://gna.org/bugs/?22861>}, the chain IDs in the structure.write_pdb user function PDB files are incorrect after calling structure.delete.""" + + # Add one atom to two different molecules. + self.interpreter.structure.add_atom(mol_name='A', atom_name='N', res_name='Phe', res_num=1, pos=[1.0, 1.0, 1.0], element='N') + self.interpreter.structure.add_atom(mol_name='B', atom_name='N', res_name='Phe', res_num=1, pos=[1.0, 1.0, 1.0], element='N') + + # Delete the first molecule. + self.interpreter.structure.delete('#A') + + # Create a PDB file. + file = DummyFileObject() + self.interpreter.structure.write_pdb(file=file, force=True) + + # The file contents, without remarks, as they should be. + contents = [ + "ATOM 1 N Phe A 1 1.000 1.000 1.000 1.00 0.00 N \n", + "TER 2 Phe A 1 \n", + "MASTER 0 0 0 0 0 0 0 0 1 1 0 0 \n", + "END \n" + ] + + # Check the created PDB file. + lines = file.readlines() + self.strip_remarks(lines) + self.assertEqual(len(contents), len(lines)) + for i in range(len(lines)): + self.assertEqual(contents[i], lines[i]) def test_collapse_ensemble(self): _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits
