r8692 - /branches/ave_noe/generic_fns/mol_res_spin.py -- January 28, 2009 - 11:40

Author: bugman
Date: Wed Jan 28 11:40:14 2009
New Revision: 8692

URL: http://svn.gna.org/viewcvs/relax?rev=8692&view=rev
Log:
The pseudo-spin name and number is now stored in the member spin containers.

This gives a mapping between from the spin to the pseudo-spin.


Modified:
    branches/ave_noe/generic_fns/mol_res_spin.py

Modified: branches/ave_noe/generic_fns/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/ave_noe/generic_fns/mol_res_spin.py?rev=8692&r1=8691&r2=8692&view=diff
==============================================================================
--- branches/ave_noe/generic_fns/mol_res_spin.py (original)
+++ branches/ave_noe/generic_fns/mol_res_spin.py Wed Jan 28 11:40:14 2009
@@ -918,6 +918,18 @@
         positions.append([])
         for i in range(len(spin.pos)):
             positions[-1].append(spin.pos[i].tolist())
+
+    # Now add the pseudo-spin name to the spins belonging to it (after the 
tests).
+    for atom in members:
+        # Get the spin container.
+        spin = return_spin(atom)
+
+        # Add the pseudo-spin number and name.
+        if res_id:
+            spin.pseudo_name = res_id + '@' + spin_name
+        else:
+            spin.pseudo_name = '@' + spin_name
+        spin.pseudo_num = spin_num
 
     # Add the spin.
     res_to_cont.spin.add_item(spin_num=spin_num, spin_name=spin_name)