Author: bugman Date: Sun Apr 20 19:16:55 2008 New Revision: 5866 URL: http://svn.gna.org/viewcvs/relax?rev=5866&view=rev Log: Wrote a unit test for the private Scientific_data.__molecule_loop() method with a selection object. Modified: 1.3/test_suite/unit_tests/_generic_fns/_structure/test_scientific.py Modified: 1.3/test_suite/unit_tests/_generic_fns/_structure/test_scientific.py URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/unit_tests/_generic_fns/_structure/test_scientific.py?rev=5866&r1=5865&r2=5866&view=diff ============================================================================== --- 1.3/test_suite/unit_tests/_generic_fns/_structure/test_scientific.py (original) +++ 1.3/test_suite/unit_tests/_generic_fns/_structure/test_scientific.py Sun Apr 20 19:16:55 2008 @@ -26,6 +26,7 @@ # relax module imports. from data import Data as relax_data_store +from generic_fns.selection import Selection from generic_fns.structure.scientific import Scientific_data @@ -78,6 +79,30 @@ self.assertEqual(mol.sequence(), ['GLY', 'PRO', 'LEU', 'GLY', 'SER', 'MET', 'ASP', 'SER', 'PRO', 'PRO', 'GLU', 'GLY']) + def test___molecule_loop_selection(self): + """Test the private Scientific_data.__molecule_loop() method with a selection object.""" + + # Load the PDB file. + self.data.load_structures(self.test_pdb_path) + + # Create the selection object (which should match the molecule name of None). + sel_obj = Selection('@1') + + # Loop over the molecules. + mol_count = 0 + for mol, mol_name, mol_type in self.data._Scientific_data__molecule_loop(self.data.structural_data[0], sel_obj): + mol_count = mol_count + 1 + + # Test the number of molecules looped over. + self.assertEqual(mol_count, 1) + + # Test the molecular data. + self.assertEqual(mol_name, None) + self.assertEqual(mol_type, 'protein') + self.assertEqual(len(mol.residues), 12) + self.assertEqual(mol.sequence(), ['GLY', 'PRO', 'LEU', 'GLY', 'SER', 'MET', 'ASP', 'SER', 'PRO', 'PRO', 'GLU', 'GLY']) + + def test_atom_loop(self): """Test the Scientific_data.atom_loop() method."""