Author: bugman
Date: Sun Nov 18 22:24:41 2007
New Revision: 3591
URL: http://svn.gna.org/viewcvs/relax?rev=3591&view=rev
Log:
Updated the spin user function unit tests to inherit Spin_base_class.
Modified:
1.3/test_suite/unit_tests/prompt/test_spin.py
Modified: 1.3/test_suite/unit_tests/prompt/test_spin.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/unit_tests/prompt/test_spin.py?rev=3591&r1=3590&r2=3591&view=diff
==============================================================================
--- 1.3/test_suite/unit_tests/prompt/test_spin.py (original)
+++ 1.3/test_suite/unit_tests/prompt/test_spin.py Sun Nov 18 22:24:41 2007
@@ -27,6 +27,7 @@
from data import Data as relax_data_store
from prompt.spin import Spin
from relax_errors import RelaxError, RelaxNoPipeError
+from test_suite.unit_tests.spin_testing_base import Spin_base_class
# A class to act as a container.
@@ -42,395 +43,7 @@
spin = Spin(relax)
-class Test_spin(TestCase):
+class Test_spin(Spin_base_class, TestCase):
"""Unit tests for the functions of the 'generic_fns.spin' module."""
- def setUp(self):
- """Set up for all the generic_fns.spin unit tests.
-
- The data contained within the 'orig' data pipe is:
-
- ID Molecule Res number Res name Spin number
Spin name
- 0,0,0 Old mol 1 Ala 111
C8
- 0,0,1 Old mol 1 Ala 6
C19
- 0,0,2 Old mol 1 Ala 7
C21
- 0,0,3 Old mol 1 Ala 8
C24
- 0,0,4 Old mol 1 Ala 9
C26
- 0,1,0 Old mol 2 Arg 78
NH
- 1,0,0 New mol 5 Lys 239
NH
- 1,1,0 New mol 6 Thr None
None
- 1,1,1 New mol 6 Thr 3239
NH
-
- The IDs correspond to the molecule, residue and spin indecies.
- """
-
- # 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'
-
- # Alias the 'orig' relax data store.
- cdp = relax_data_store['orig']
-
- # Name the first molecule.
- cdp.mol[0].name = 'Old mol'
-
- # Create the first residue and add some data to its spin container.
- cdp.mol[0].res[0].num = 1
- cdp.mol[0].res[0].name = 'Ala'
- cdp.mol[0].res[0].spin[0].num = 111
- cdp.mol[0].res[0].spin[0].name = 'C8'
- cdp.mol[0].res[0].spin[0].x = 1
-
- # Add some more spins.
- cdp.mol[0].res[0].spin.add_item('C19', 6)
- cdp.mol[0].res[0].spin.add_item('C21', 7)
- cdp.mol[0].res[0].spin.add_item('C24', 8)
- cdp.mol[0].res[0].spin.add_item('C26', 9)
-
- # Create a second residue.
- cdp.mol[0].res.add_item('Arg', 2)
- cdp.mol[0].res[1].spin[0].num = 78
- cdp.mol[0].res[1].spin[0].name = 'NH'
-
- # Create a second molecule.
- cdp.mol.add_item('New mol')
-
- # Create the first and second residue of the second molecule and add
some data to its spin container.
- cdp.mol[1].res[0].num = 5
- cdp.mol[1].res[0].name = 'Lys'
- cdp.mol[1].res[0].spin[0].num = 239
- cdp.mol[1].res[0].spin[0].name = 'NH'
- cdp.mol[1].res.add_item('Thr', 6)
- cdp.mol[1].res[1].spin.add_item('NH', 3239)
-
-
- def tearDown(self):
- """Reset the relax data storage object."""
-
- relax_data_store.__reset__()
-
-
- def test_copy_between_molecules(self):
- """Test the copying of the spin data between different molecules.
-
- The function used is generic_fns.spin.copy().
- """
-
- # Copy the spin '111' from the first molecule, first residue to the
second molecule, fifth residue.
- spin.copy(spin_from='#Old mol:1@111', spin_to='#New mol:5@334')
-
- # Test the original spin.
- 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.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].name, 'C8')
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].x, 1)
-
- # Test the new spin.
- self.assertEqual(relax_data_store['orig'].mol[1].res[0].num, 5)
- self.assertEqual(relax_data_store['orig'].mol[1].res[0].name, 'Lys')
- self.assertEqual(relax_data_store['orig'].mol[1].res[0].spin[0].num,
239)
-
self.assertEqual(relax_data_store['orig'].mol[1].res[0].spin[0].name, 'NH')
- self.assertEqual(relax_data_store['orig'].mol[1].res[0].spin[1].num,
334)
-
self.assertEqual(relax_data_store['orig'].mol[1].res[0].spin[1].name, 'C8')
- self.assertEqual(relax_data_store['orig'].mol[1].res[0].spin[1].x, 1)
-
-
- def test_copy_between_residues(self):
- """Test the copying of the spin data between different residues.
-
- The function used is generic_fns.spin.copy().
- """
-
- # Copy the spin '111' from the first residue to the third residue.
- spin.copy(spin_from='#Old mol:1@111', spin_to='#Old mol:2')
-
- # Test the original spin.
- 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.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].name, 'C8')
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].x, 1)
-
- # Test the new spin.
- self.assertEqual(relax_data_store['orig'].mol[0].res[1].num, 2)
- self.assertEqual(relax_data_store['orig'].mol[0].res[1].name, 'Arg')
- self.assertEqual(relax_data_store['orig'].mol[0].res[1].spin[0].num,
78)
-
self.assertEqual(relax_data_store['orig'].mol[0].res[1].spin[0].name, 'NH')
- self.assertEqual(relax_data_store['orig'].mol[0].res[1].spin[1].num,
111)
-
self.assertEqual(relax_data_store['orig'].mol[0].res[1].spin[1].name, 'C8')
- self.assertEqual(relax_data_store['orig'].mol[0].res[1].spin[1].x, 1)
-
-
- def test_copy_between_pipes(self):
- """Test the copying of the spin data between different data pipes.
-
- The function used is generic_fns.spin.copy().
- """
-
- # Copy the spin data.
- spin.copy(spin_from='#Old mol:1@111', pipe_to='test')
-
- # Change the first spin'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 spin.
- 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 spin.
- 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)
-
-
- def test_copy_between_pipes_fail(self):
- """Test the copying of the spin data between different data pipes.
-
- The function used is generic_fns.spin.copy().
- """
-
- # Copy the spin to the second data pipe.
- self.assertRaises(RelaxNoPipeError, spin.copy, spin_from='#Old
mol:1@111', pipe_to='test2')
-
-
-
- def test_copy_fail1(self):
- """Test the failure of the copying of the spin data of a
non-existent residue.
-
- The function used is generic_fns.spin.copy().
- """
-
- # Copy a non-existent residue (1 Met, @111).
- self.assertRaises(RelaxError, spin.copy, spin_from=':Met@111',
spin_to=':2,Gly')
-
-
- def test_copy_fail2(self):
- """Test the failure of the copying of the spin data of a
non-existent spin.
-
- The function used is generic_fns.spin.copy().
- """
-
- # Copy a non-existent spin (1 Ala, @234).
- self.assertRaises(RelaxError, spin.copy, spin_from=':Ala@234',
spin_to=':2,Gly')
-
-
- def test_copy_fail3(self):
- """Test the failure of the copying of the spin data to a
non-existent residue.
-
- The function used is generic_fns.spin.copy().
- """
-
- # Copy to a non-existent residue (3).
- self.assertRaises(RelaxError, spin.copy, spin_from='#Old mol:1@111',
spin_to='#Old mol:3')
-
-
- def test_copy_fail4(self):
- """Test the failure of the copying of the spin data to a number
which already exists.
-
- The function used is generic_fns.spin.copy().
- """
-
- # Copy a spin to a number which already exists.
- self.assertRaises(RelaxError, spin.copy, spin_from=':1',
spin_to=':2@78')
-
-
- def test_creation(self):
- """Test the creation of a spin.
-
- The function used is generic_fns.spin.create().
- """
-
- # Create a few new spins.
- spin.create(1, 'C3')
- spin.create(2, 'C17')
- spin.create(-3, 'N7', res_id='#New mol:6')
-
- # Test that the spin numbers are correct.
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[5].num,
1)
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[6].num,
2)
- self.assertEqual(relax_data_store['orig'].mol[1].res[1].spin[2].num,
-3)
-
- # Test that the spin names are correct.
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[5].name, 'C3')
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[6].name, 'C17')
-
self.assertEqual(relax_data_store['orig'].mol[1].res[1].spin[2].name, 'N7')
-
-
- def test_creation_fail(self):
- """Test the failure of spin creation (by supplying two spins with
the same number).
-
- The function used is generic_fns.spin.create().
- """
-
- # Create the first spin.
- spin.create(1, 'P1')
-
- # Assert that a RelaxError occurs when the next added spin has the
same number as the first.
- self.assertRaises(RelaxError, spin.create, 1, 'P3')
-
-
- def test_delete_name(self):
- """Test spin deletion using spin name identifiers.
-
- The function used is generic_fns.spin.delete().
- """
-
- # Delete the first spin.
- spin.delete(spin_id='@C8')
-
- # Test that the first spin is now 6, C19.
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].num,
6)
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].name, 'C19')
- self.assert_(not
hasattr(relax_data_store['orig'].mol[0].res[0].spin[0], 'x'))
-
-
- def test_delete_num(self):
- """Test spin deletion using spin number identifiers.
-
- The function used is generic_fns.spin.delete().
- """
-
- # Delete the first spin.
- spin.delete(spin_id='@111')
-
- # Test that the first spin is now 6, C19.
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].num,
6)
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].name, 'C19')
- self.assert_(not
hasattr(relax_data_store['orig'].mol[0].res[0].spin[0], 'x'))
-
-
- def test_delete_all(self):
- """Test the deletion of all spins in one residue.
-
- The function used is generic_fns.spin.delete().
- """
-
- # Delete all spins.
- spin.delete(spin_id='@1-200')
-
- # Test that the first spin defaults back to the empty spin.
- 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_shift(self):
- """Test the deletion of multiple spins.
-
- The function used is generic_fns.spin.delete().
- """
-
- # Delete the first and third spins.
- spin.delete(spin_id='@111,7')
-
- # Test that the remaining spins.
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].num,
6)
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].name, 'C19')
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[1].num,
8)
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[1].name, 'C24')
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[2].num,
9)
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[2].name, 'C26')
-
-
- def test_display(self):
- """Test the display of spin information.
-
- The function used is generic_fns.spin.display().
- """
-
- # The following should all work without error.
- spin.display()
- spin.display(':1')
- spin.display('#Old mol:1')
- spin.display('#New mol:5')
- spin.display('#New mol:6@3239')
-
-
- def test_rename(self):
- """Test the renaming of a spin.
-
- The function tested is generic_fns.spin.rename().
- """
-
- # Rename some spins.
- spin.rename(spin_id='@C26', new_name='C25')
- spin.rename(spin_id=':2@78', new_name='Ca')
- spin.rename(spin_id='#New mol:6@3239', new_name='NHe')
-
- # Test that the spins have been renamed (and that the others have
not).
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].name, 'C8')
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[1].name, 'C19')
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[2].name, 'C21')
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[3].name, 'C24')
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[4].name, 'C25')
-
self.assertEqual(relax_data_store['orig'].mol[0].res[1].spin[0].name, 'Ca')
-
self.assertEqual(relax_data_store['orig'].mol[1].res[0].spin[0].name, 'NH')
-
self.assertEqual(relax_data_store['orig'].mol[1].res[1].spin[0].name, None)
-
self.assertEqual(relax_data_store['orig'].mol[1].res[1].spin[1].name, 'NHe')
-
-
- def test_rename_many(self):
- """Test the renaming of multiple spins.
-
- The function used is generic_fns.spins.rename().
- """
-
- # Rename all NHs.
- spin.rename(spin_id='@NH', new_name='N')
-
- # Test the renaming of the NHs (and that the other spins have not
changed).
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].name, 'C8')
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[1].name, 'C19')
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[2].name, 'C21')
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[3].name, 'C24')
-
self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[4].name, 'C26')
-
self.assertEqual(relax_data_store['orig'].mol[0].res[1].spin[0].name, 'N')
-
self.assertEqual(relax_data_store['orig'].mol[1].res[0].spin[0].name, 'N')
-
self.assertEqual(relax_data_store['orig'].mol[1].res[1].spin[0].name, None)
-
self.assertEqual(relax_data_store['orig'].mol[1].res[1].spin[1].name, 'N')
-
-
- def test_renumber(self):
- """Test the renumbering of a spin.
-
- The function tested is generic_fns.spin.renumber().
- """
-
- # Rename a few spins.
- spin.renumber(spin_id='@111', new_number=1)
- spin.renumber(spin_id='@6', new_number=2)
- spin.renumber(spin_id='@7', new_number=3)
- spin.renumber(spin_id='@8', new_number=4)
- spin.renumber(spin_id='@9', new_number=5)
- spin.renumber(spin_id='@78', new_number=6)
- spin.renumber(spin_id='@239', new_number=7)
- spin.renumber(spin_id='@3239', new_number=9)
-
- # Test that the spins have been renumbered.
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[0].num,
1)
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[1].num,
2)
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[2].num,
3)
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[3].num,
4)
- self.assertEqual(relax_data_store['orig'].mol[0].res[0].spin[4].num,
5)
- self.assertEqual(relax_data_store['orig'].mol[0].res[1].spin[0].num,
6)
- self.assertEqual(relax_data_store['orig'].mol[1].res[0].spin[0].num,
7)
- self.assertEqual(relax_data_store['orig'].mol[1].res[1].spin[1].num,
9)
-
-
- def test_renumber_many_fail(self):
- """Test the renaming of multiple spins.
-
- The function used is generic_fns.spin.renumber().
- """
-
- # Try renumbering all NHs.
- self.assertRaises(RelaxError, spin.renumber, spin_id='@NH',
new_number=-6)
r3591 - /1.3/test_suite/unit_tests/prompt/test_spin.py