r18462 - /trunk/test_suite/system_tests/mol_res_spin.py -- February 13, 2013 - 16:05

Author: bugman
Date: Wed Feb 13 16:05:19 2013
New Revision: 18462

URL: http://svn.gna.org/viewcvs/relax?rev=18462&view=rev
Log:
Created the Mol_res_spin.test_metadata_molecule_rename system test to 
demonstrate a spin ID metadata bug.


Modified:
    trunk/test_suite/system_tests/mol_res_spin.py

Modified: trunk/test_suite/system_tests/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/mol_res_spin.py?rev=18462&r1=18461&r2=18462&view=diff
==============================================================================
--- trunk/test_suite/system_tests/mol_res_spin.py (original)
+++ trunk/test_suite/system_tests/mol_res_spin.py Wed Feb 13 16:05:19 2013
@@ -40,6 +40,55 @@
 
         # Create the data pipe.
         self.interpreter.pipe.create('mf', 'mf')
+
+
+    def test_metadata_molecule_rename(self):
+        """Check the updating of spin ID metadata when molecules are 
renamed."""
+
+        # Create a data pipe for all the data.
+        self.interpreter.pipe.create('CaM', 'N-state')
+
+        # Create some spins.
+        self.interpreter.spin.create(spin_name='N', spin_num=1, 
res_name='Gly', res_num=3, mol_name='N-dom')
+        self.interpreter.spin.create(spin_name='H', spin_num=2, 
res_name='Gly', res_num=3, mol_name='N-dom')
+        self.interpreter.spin.create(spin_name='N', spin_num=3, 
res_name='Gly', res_num=90, mol_name='C-dom')
+        self.interpreter.spin.create(spin_name='H', spin_num=4, 
res_name='Gly', res_num=90, mol_name='C-dom')
+
+        # Check the validity of the current IDs.
+        print("The spin ID lookup table:\n%s" % cdp.mol._spin_id_lookup)
+        self.assert_('#N-dom@N' in cdp.mol._spin_id_lookup)
+        self.assert_('#N-dom@H' in cdp.mol._spin_id_lookup)
+        self.assert_('#N-dom:3@N' in cdp.mol._spin_id_lookup)
+        self.assert_('#N-dom:3@H' in cdp.mol._spin_id_lookup)
+        self.assert_('#C-dom@N' in cdp.mol._spin_id_lookup)
+        self.assert_('#C-dom@H' in cdp.mol._spin_id_lookup)
+        self.assert_('#C-dom:90@N' in cdp.mol._spin_id_lookup)
+        self.assert_('#C-dom:90@H' in cdp.mol._spin_id_lookup)
+        self.assert_('#N-dom' not in cdp.mol._spin_id_lookup)
+        self.assert_('#C-dom' not in cdp.mol._spin_id_lookup)
+        self.assert_(':3' not in cdp.mol._spin_id_lookup)
+        self.assert_(':90' not in cdp.mol._spin_id_lookup)
+        self.assert_('@N' not in cdp.mol._spin_id_lookup)
+        self.assert_('@H' not in cdp.mol._spin_id_lookup)
+
+        # Rename the molecules.
+        self.interpreter.molecule.name(mol_id='#N-dom', name='CaM', 
force=True)
+        self.interpreter.molecule.name(mol_id='#C-dom', name='CaM', 
force=True)
+
+        # Make sure that certain spin IDs have been removed.
+        print("The spin ID lookup table:\n%s" % cdp.mol._spin_id_lookup)
+        self.assert_(':3@N' in cdp.mol._spin_id_lookup)
+        self.assert_(':3@H' in cdp.mol._spin_id_lookup)
+        self.assert_(':90@N' in cdp.mol._spin_id_lookup)
+        self.assert_(':90@H' in cdp.mol._spin_id_lookup)
+        self.assert_('#N-dom' not in cdp.mol._spin_id_lookup)
+        self.assert_('#N-dom@N' not in cdp.mol._spin_id_lookup)
+        self.assert_('#N-dom@H' not in cdp.mol._spin_id_lookup)
+        self.assert_('#C-dom' not in cdp.mol._spin_id_lookup)
+        self.assert_('#C-dom@N' not in cdp.mol._spin_id_lookup)
+        self.assert_('#C-dom@H' not in cdp.mol._spin_id_lookup)
+        self.assert_('@N' not in cdp.mol._spin_id_lookup)
+        self.assert_('@H' not in cdp.mol._spin_id_lookup)
 
 
     def test_prune_metadata(self):