r5873 - /1.3/generic_fns/structure/scientific.py -- April 20, 2008 - 20:04

Author: bugman
Date: Sun Apr 20 20:04:37 2008
New Revision: 5873

URL: http://svn.gna.org/viewcvs/relax?rev=5873&view=rev
Log:
Fix for the Scientific_data.__molecule_loop() method.

The Selection.contains_mol() method is being used to identify matching 
molecules.


Modified:
    1.3/generic_fns/structure/scientific.py

Modified: 1.3/generic_fns/structure/scientific.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/scientific.py?rev=5873&r1=5872&r2=5873&view=diff
==============================================================================
--- 1.3/generic_fns/structure/scientific.py (original)
+++ 1.3/generic_fns/structure/scientific.py Sun Apr 20 20:04:37 2008
@@ -76,7 +76,7 @@
                     mol_name = None
 
                 # Skip non-matching molecules.
-                if sel_obj and mol_name and '#' + mol_name not in sel_obj:
+                if sel_obj and not sel_obj.contains_mol(mol_name):
                     continue
 
                 # Yield the molecule and its name.
@@ -94,7 +94,7 @@
                     mol_name = None
 
                 # Skip non-matching molecules.
-                if sel_obj and mol_name and '#' + mol_name not in sel_obj:
+                if sel_obj and not sel_obj.contains_mol(mol_name):
                     continue
 
                 # Yield the molecule and its name.