r3426 - /1.3/test_suite/unit_tests/generic_fns/test_molecule.py -- November 04, 2007 - 18:23

Author: bugman
Date: Sun Nov  4 18:23:47 2007
New Revision: 3426

URL: http://svn.gna.org/viewcvs/relax?rev=3426&view=rev
Log:
Added two more unit tests for the generic_fns.molecule.copy() function.


Modified:
    1.3/test_suite/unit_tests/generic_fns/test_molecule.py

Modified: 1.3/test_suite/unit_tests/generic_fns/test_molecule.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/unit_tests/generic_fns/test_molecule.py?rev=3426&r1=3425&r2=3426&view=diff
==============================================================================
--- 1.3/test_suite/unit_tests/generic_fns/test_molecule.py (original)
+++ 1.3/test_suite/unit_tests/generic_fns/test_molecule.py Sun Nov  4 
18:23:47 2007
@@ -134,6 +134,75 @@
         self.assertRaises(RelaxNoPipeError, molecule.copy, mol_from='#Old 
mol', pipe_to='test2')
 
 
+    def test_copy_within_pipe(self):
+        """Test the copying of the molecule data within a single data pipe.
+
+        The function used is generic_fns.molecule.copy().
+        """
+
+        # Create the first molecule and residue and add some data to its 
spin container.
+        molecule.create('Old mol')
+        residue.create(1, 'Ala')
+        relax_data_store['orig'].mol[0].res[0].spin[0].num = 111
+        relax_data_store['orig'].mol[0].res[0].spin[0].x = 1
+
+        # Copy the molecule a few times.
+        molecule.copy(mol_from='#Old mol', mol_to='#2')
+        molecule.copy(mol_from='#Old mol', pipe_to='orig', mol_to='#3')
+
+        # Change the first molecule's data.
+        relax_data_store['orig'].mol[0].res[0].spin[0].num = 222
+        relax_data_store['orig'].mol[0].res[0].spin[0].x = 2
+
+        # Copy the molecule once more.
+        molecule.copy(mol_from='#Old mol', mol_to='#4')
+
+        # Test the original molecule.
+        self.assertEqual(relax_data_store['orig'].mol[0].name, 'Old mol')
+        self.assertEqual(relax_data_store['orig'].mol[0].res[0].num, 1)
+        self.assertEqual(relax_data_store['orig'].mol[0].res[0].name, 'Ala')
+        self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].num, 
222)
+        self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].x, 2)
+
+        # Test the new molecule 2.
+        self.assertEqual(relax_data_store['orig'].mol[1].name, 2)
+        self.assertEqual(relax_data_store['orig'].mol[1].res[0].num, 1)
+        self.assertEqual(relax_data_store['orig'].mol[1].res[0].name, 'Ala')
+        self.assertEqual(relax_data_store['orig'].mol[1].res[0].spin[0].num, 
111)
+        self.assertEqual(relax_data_store['orig'].mol[1].res[0].spin[0].x, 1)
+
+        # Test the new molecule 3.
+        self.assertEqual(relax_data_store['orig'].mol[2].name, 3)
+        self.assertEqual(relax_data_store['orig'].mol[2].res[0].num, 1)
+        self.assertEqual(relax_data_store['orig'].mol[2].res[0].name, 'Ala')
+        self.assertEqual(relax_data_store['orig'].mol[2].res[0].spin[0].num, 
111)
+        self.assertEqual(relax_data_store['orig'].mol[2].res[0].spin[0].x, 1)
+
+        # Test the new molecule 4.
+        self.assertEqual(relax_data_store['orig'].mol[3].name, 4)
+        self.assertEqual(relax_data_store['orig'].mol[3].res[0].num, 1)
+        self.assertEqual(relax_data_store['orig'].mol[3].res[0].name, 'Ala')
+        self.assertEqual(relax_data_store['orig'].mol[3].res[0].spin[0].num, 
222)
+        self.assertEqual(relax_data_store['orig'].mol[3].res[0].spin[0].x, 2)
+
+
+    def test_copy_within_pipe_fail(self):
+        """Test the failure of the copying of the molecule data within a 
molecule.
+
+        The function used is generic_fns.molecule.copy().
+        """
+
+        # Create a few molecules.
+        molecule.create('GST')
+        molecule.create('GB1')
+
+        # Copy a non-existent molecule (MBP).
+        self.assertRaises(RelaxError, molecule.copy, mol_from='#MBP', 
mol_to='#IL4')
+
+        # Copy a molecule to one which already exists.
+        self.assertRaises(RelaxError, molecule.copy, mol_from='#GST', 
mol_to='#GB1')
+
+
     def test_creation(self):
         """Test the creation of a molecule data structure.