Author: bugman
Date: Tue Nov 20 10:03:59 2007
New Revision: 3610
URL: http://svn.gna.org/viewcvs/relax?rev=3610&view=rev
Log:
Updated the generic_fns.test_molecule unit test module to use the newly
created base class.
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=3610&r1=3609&r2=3610&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 Tue Nov 20
10:03:59 2007
@@ -27,336 +27,12 @@
from data import Data as relax_data_store
from generic_fns import molecule, residue
from relax_errors import RelaxError, RelaxNoPipeError,
RelaxResSelectDisallowError, RelaxSpinSelectDisallowError
+from test_suite.unit_tests.molecule_testing_base import Molecule_base_class
-class Test_molecule(TestCase):
+class Test_molecule(Molecule_base_class, TestCase):
"""Unit tests for the functions of the 'generic_fns.molecule' module."""
- def setUp(self):
- """Set up for all the molecule unit tests."""
-
- # Reset the relax data storage object.
- relax_data_store.__reset__()
-
- # 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')
-
- # Set the current data pipe to 'orig'.
- relax_data_store.current_pipe = 'orig'
-
-
- def tearDown(self):
- """Reset the relax data storage object."""
-
- relax_data_store.__reset__()
-
-
- def setup_data(self):
- """Function for setting up some data for the unit tests."""
-
- # 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
- relax_data_store['orig'].mol[0].name = 'Old mol'
-
- # 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='#Old mol: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
-
-
- def test_copy_between_pipes(self):
- """Test the copying of the molecule data between different data
pipes.
-
- 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 to the second data pipe.
- molecule.copy(mol_from='#Old mol', pipe_to='test')
- molecule.copy(pipe_from='orig', mol_from='#Old mol', pipe_to='test',
mol_to='#New mol')
-
- # 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
-
- # 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.
- self.assertEqual(relax_data_store['test'].mol[0].name, 'Old mol')
- 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 second new molecule.
- self.assertEqual(relax_data_store['test'].mol[1].name, 'New mol')
- self.assertEqual(relax_data_store['test'].mol[1].res[0].num, 1)
- self.assertEqual(relax_data_store['test'].mol[1].res[0].name, 'Ala')
- self.assertEqual(relax_data_store['test'].mol[1].res[0].spin[0].num,
111)
- self.assertEqual(relax_data_store['test'].mol[1].res[0].spin[0].x, 1)
-
-
- def test_copy_between_pipes_fail_no_pipe(self):
- """Test the failure of copying of the molecule data between
different data pipes.
-
- 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 to the second data pipe.
- 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.
-
- The function used is generic_fns.molecule.create().
- """
-
- # Create a few new molecules.
- molecule.create('Ap4Aase')
- molecule.create('ATP')
- molecule.create(mol_name='MgF4')
-
- # Test that the molecule names are correct.
- self.assertEqual(relax_data_store['orig'].mol[0].name, 'Ap4Aase')
- self.assertEqual(relax_data_store['orig'].mol[1].name, 'ATP')
- self.assertEqual(relax_data_store['orig'].mol[2].name, 'MgF4')
-
-
- def test_creation_fail(self):
- """Test the failure of molecule creation by supplying two molecules
with the same name.
-
- The function used is generic_fns.molecule.create().
- """
-
- # Create the first molecule.
- molecule.create('CaM')
-
- # Assert that a RelaxError occurs when the next added molecule has
the same name as the first.
- self.assertRaises(RelaxError, molecule.create, 'CaM')
-
-
- def test_delete(self):
- """Test molecule deletion.
-
- The function used is generic_fns.molecule.delete().
- """
-
- # Set up some data.
- self.setup_data()
-
- # Delete the first molecule.
- molecule.delete(mol_id='#Old mol')
-
- # Test that the first molecule is now 'New mol'.
- self.assertEqual(relax_data_store['orig'].mol[0].name, 'New 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,
111)
- self.assert_(hasattr(relax_data_store['orig'].mol[0].res[0].spin[0],
'x'))
- self.assertEqual(relax_data_store['orig'].mol[0].res[1].num, 5)
- self.assertEqual(relax_data_store['orig'].mol[0].res[1].name, 'Ala')
- self.assertEqual(relax_data_store['orig'].mol[0].res[1].spin[0].num,
111)
- self.assert_(hasattr(relax_data_store['orig'].mol[0].res[1].spin[0],
'x'))
-
-
- def test_delete_all(self):
- """Test the deletion of all molecules.
-
- The function used is generic_fns.molecule.delete().
- """
-
- # Set up some data.
- self.setup_data()
-
- # Delete all molecules.
- molecule.delete(mol_id='#Old mol')
- molecule.delete(mol_id='#New mol')
-
- # Test that the first molecule defaults back to the empty container.
- self.assertEqual(relax_data_store['orig'].mol[0].name, None)
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].num, None)
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].name, None)
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].num,
None)
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].name, None)
-
-
- def test_delete_fail(self):
- """Test the failure of molecule deletion when a residue or spin id
is supplied.
-
- The function used is generic_fns.molecule.delete().
- """
-
- # Supply a spin id.
- self.assertRaises(RelaxSpinSelectDisallowError, molecule.delete,
mol_id='@2')
-
- # Supply a residue id.
- self.assertRaises(RelaxResSelectDisallowError, molecule.delete,
mol_id=':1')
-
-
- def test_display(self):
- """Test the display of molecular information.
-
- The function used is generic_fns.molecule.display().
- """
-
- # Set up some data.
- self.setup_data()
-
- # The following should all work without error.
- molecule.display()
- molecule.display('#Old mol')
- molecule.display(mol_id='#New mol')
-
-
- def test_display_fail(self):
- """Test the failure of the display of molecule information.
-
- The function used is generic_fns.molecule.display().
- """
-
- # Set up some data.
- self.setup_data()
-
- # The following should fail.
- self.assertRaises(RelaxSpinSelectDisallowError, molecule.display,
'@N')
- self.assertRaises(RelaxResSelectDisallowError, molecule.display,
':1')
-
-
- def test_rename(self):
- """Test the renaming of a molecule.
-
- The function tested is generic_fns.molecule.rename().
- """
-
- # Set up some data.
- self.setup_data()
-
- # Rename the molecule.
- molecule.rename(mol_id='#New mol', new_name='K')
-
- # Test that the molecule has been renamed.
- self.assertEqual(relax_data_store['orig'].mol[1].name, 'K')
-
-
- def test_rename_fail(self):
- """Test the failure of renaming a molecule when a residue or spin id
is given.
-
- The function tested is generic_fns.molecule.rename().
- """
-
- # Try renaming using a spin id.
- self.assertRaises(RelaxSpinSelectDisallowError, molecule.rename,
mol_id='@111', new_name='K')
-
- # Try renaming using a residue id.
- self.assertRaises(RelaxResSelectDisallowError, molecule.rename,
mol_id=':1', new_name='K')
-
-
- def test_rename_many_fail(self):
- """Test the failure of the renaming of multiple molecules to the
same name.
-
- The function used is generic_fns.molecule.rename().
- """
-
- # Set up some data.
- self.setup_data()
-
- # Test for the failure.
- self.assertRaises(RelaxError, molecule.rename, mol_id='#Old mol,New
mol', new_name='K')
+ # Place the generic_fns.spin module into the class namespace.
+ spin_fns = molecule
r3610 - /1.3/test_suite/unit_tests/generic_fns/test_molecule.py