r5014 - in /branches/N_state_model: ./ generic_fns/structure.py -- February 15, 2008 - 12:24

Author: bugman
Date: Fri Feb 15 12:24:06 2008
New Revision: 5014

URL: http://svn.gna.org/viewcvs/relax?rev=5014&view=rev
Log:
Merged revisions 5013 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3

........
  r5013 | bugman | 2008-02-15 12:21:59 +0100 (Fri, 15 Feb 2008) | 5 lines
  
  Bug fix for the generic_fns.structure.centre_of_mass() function.
  
  The fetching of molecular, residue, and spin containers is now done 
correctly.
........

Modified:
    branches/N_state_model/   (props changed)
    branches/N_state_model/generic_fns/structure.py

Propchange: branches/N_state_model/
------------------------------------------------------------------------------
Binary property 'svnmerge-integrated' - no diff available.

Modified: branches/N_state_model/generic_fns/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/structure.py?rev=5014&r1=5013&r2=5014&view=diff
==============================================================================
--- branches/N_state_model/generic_fns/structure.py (original)
+++ branches/N_state_model/generic_fns/structure.py Fri Feb 15 12:24:06 2008
@@ -218,7 +218,7 @@
         if cdp.mol[0].name == None:
             mol_cont = cdp.mol[0]
         else:
-            mol_cont = return_molecule(struct.name)
+            mol_cont = return_molecule('#' + struct.name)
 
         # Deselected molecule.
         if not mol_cont.select:
@@ -238,7 +238,7 @@
             if mol_cont.res[0].name == None and mol_cont.res[0].num == None:
                 res_cont = mol_cont.res[0]
             else:
-                res_cont = return_residue(res.number)
+                res_cont = return_residue(':' + `res.number`)
 
             # Deselected residue.
             if not res_cont.select:
@@ -250,7 +250,7 @@
                 if res_cont.spin[0].name == None and res_cont.spin[0].num == 
None:
                     spin_cont = res_cont.spin[0]
                 else:
-                    spin_cont = return_spin(atom.properties['number'])
+                    spin_cont = return_spin('@' + 
`atom.properties['serial_number']`)
 
                 # Deselected spin.
                 if not spin_cont.select: