Author: bugman
Date: Sat Nov 3 19:25:57 2007
New Revision: 3392
URL: http://svn.gna.org/viewcvs/relax?rev=3392&view=rev
Log:
More unit tests for the generic_fns.residue.copy() function.
The current test was renamed. Two new tests were added for copying between
molecules and copying
between data pipes.
Modified:
1.3/test_suite/unit_tests/generic_fns/test_residue.py
Modified: 1.3/test_suite/unit_tests/generic_fns/test_residue.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/unit_tests/generic_fns/test_residue.py?rev=3392&r1=3391&r2=3392&view=diff
==============================================================================
--- 1.3/test_suite/unit_tests/generic_fns/test_residue.py (original)
+++ 1.3/test_suite/unit_tests/generic_fns/test_residue.py Sat Nov 3 19:25:57
2007
@@ -42,6 +42,9 @@
# Add a data pipe to the data store.
relax_data_store.add(pipe_name='orig', pipe_type='mf')
+ # Add a second data pipe for copying tests.
+ relax_data_store.add(pipe_name='test', pipe_type='mf')
+
def tearDown(self):
"""Reset the relax data storage object."""
@@ -49,10 +52,10 @@
relax_data_store.__reset__()
- def test_copy(self):
- """Test the copying of the residue data.
-
- The function used is generic_fns.residues.copy().
+ def test_copy_between_molecules(self):
+ """Test the copying of the residue data between different molecules.
+
+ The function used is generic_fns.residue.copy().
"""
# Create the first residue and add some data to its spin container.
@@ -60,9 +63,91 @@
relax_data_store['orig'].mol[0].res[0].spin[0].num = 111
relax_data_store['orig'].mol[0].res[0].spin[0].x = 1
+ # Create a second molecule.
+ relax_data_store['orig'].mol.add_item('New mol')
+
+ # Copy the residue to the new molecule.
+ residue.copy(res_from=':1', res_to='#New mol')
+ residue.copy(res_from=':1', res_to='#New mol:5')
+
+ # Change the first residue'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
+
+ # Test the original residue.
+ 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 residue 1.
+ 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 residue 5.
+ self.assertEqual(relax_data_store['orig'].mol[1].res[1].num, 5)
+ self.assertEqual(relax_data_store['orig'].mol[1].res[1].name, 'Ala')
+ self.assertEqual(relax_data_store['orig'].mol[1].res[1].spin[0].num,
111)
+ self.assertEqual(relax_data_store['orig'].mol[1].res[1].spin[0].x, 1)
+
+
+
+ def test_copy_between_pipes(self):
+ """Test the copying of the residue data between different data pipes.
+
+ The function used is generic_fns.residue.copy().
+ """
+
+ # Create the first residue and add some data to its spin container.
+ 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 residue to the second data pipe.
+ residue.copy(res_from=':1', pipe_to='test')
+ residue.copy(pipe_from='orig', res_from=':1', pipe_to='test',
res_to=':5')
+
+ # Change the first residue'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
+
+ # Test the original residue.
+ 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 residue 1.
+ self.assertEqual(relax_data_store['test'].mol[0].res[0].num, 1)
+ self.assertEqual(relax_data_store['test'].mol[0].res[0].name, 'Ala')
+ self.assertEqual(relax_data_store['test'].mol[0].res[0].spin[0].num,
111)
+ self.assertEqual(relax_data_store['test'].mol[0].res[0].spin[0].x, 1)
+
+ # Test the new residue 5.
+ self.assertEqual(relax_data_store['test'].mol[0].res[1].num, 5)
+ self.assertEqual(relax_data_store['test'].mol[0].res[1].name, 'Ala')
+ self.assertEqual(relax_data_store['test'].mol[0].res[1].spin[0].num,
111)
+ self.assertEqual(relax_data_store['test'].mol[0].res[1].spin[0].x, 1)
+
+
+ def test_copy_within_molecule(self):
+ """Test the copying of the residue data within a single molecule.
+
+ The function used is generic_fns.residue.copy().
+ """
+
+ # Create the first residue and add some data to its spin container.
+ 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 residue a few times.
- residue.copy(res_num_from=1, res_num_to=2)
- residue.copy(res_num_from=1, res_name_from='Ala', res_num_to=3)
+ residue.copy(res_from=':1', res_num_to=2)
+ residue.copy(res_from=':1', pipe_to='orig', res_name_from='Ala',
res_num_to=3)
+ residue.copy(pipe_from='orig', res_from=':1', pipe_to='orig',
res_name_from='Ala', res_num_to=3)
+ residue.copy(pipe_from='orig', res_from=':1', pipe_to='test',
res_name_from='Ala', res_num_to=4)
# Change the first residue's data.
relax_data_store['orig'].mol[0].res[0].spin[0].num = 222
r3392 - /1.3/test_suite/unit_tests/generic_fns/test_residue.py