r27689 - in /branches/nmrglue: ./ lib/structure/internal/object.py -- February 20, 2015 - 09:35

Author: bugman
Date: Fri Feb 20 09:35:33 2015
New Revision: 27689

URL: http://svn.gna.org/viewcvs/relax?rev=27689&view=rev
Log:
Merged revisions 27687 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r27687 | bugman | 2015-02-20 09:35:07 +0100 (Fri, 20 Feb 2015) | 8 lines
  
  Fix for bug #23294 (https://gna.org/bugs/?23294).
  
  This is the automatic merging of PDB molecules resulting in an IndexError.  
Now if only a single
  molecule name is supplied, this will be used for all molecules in the PDB 
file.  The result is that
  the structural data will all be automatically merged into a single 
molecule.  This merging is
  communicated to the user via the current printouts.
........

Modified:
    branches/nmrglue/   (props changed)
    branches/nmrglue/lib/structure/internal/object.py

Propchange: branches/nmrglue/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Fri Feb 20 09:35:33 2015
@@ -1 +1 @@
-/trunk:1-27684
+/trunk:1-27687

Modified: branches/nmrglue/lib/structure/internal/object.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/nmrglue/lib/structure/internal/object.py?rev=27689&r1=27688&r2=27689&view=diff
==============================================================================
--- branches/nmrglue/lib/structure/internal/object.py   (original)
+++ branches/nmrglue/lib/structure/internal/object.py   Fri Feb 20 09:35:33 
2015
@@ -2082,7 +2082,15 @@
 
                 # Set the target molecule name.
                 if set_mol_name:
-                    new_mol_name.append(set_mol_name[mol_index])
+                    # Single name.
+                    if len(set_mol_name) == 1:
+                        new_mol_name.append(set_mol_name[0])
+
+                    # Multiple names.
+                    else:
+                        new_mol_name.append(set_mol_name[mol_index])
+
+                # Auto-generated molecule name.
                 else:
                     # Number of structures already present for the model.
                     num_struct = 0