r17093 - /branches/interatomic/generic_fns/selection.py -- June 28, 2012 - 14:27

Author: bugman
Date: Thu Jun 28 14:27:49 2012
New Revision: 17093

URL: http://svn.gna.org/viewcvs/relax?rev=17093&view=rev
Log:
Bug fixes for the deselect.interatom and select.interatom user functions.

The interatomic data container loops were skipping deselected containers, but 
these loops must be
over all containers.


Modified:
    branches/interatomic/generic_fns/selection.py

Modified: branches/interatomic/generic_fns/selection.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/generic_fns/selection.py?rev=17093&r1=17092&r2=17093&view=diff
==============================================================================
--- branches/interatomic/generic_fns/selection.py (original)
+++ branches/interatomic/generic_fns/selection.py Thu Jun 28 14:27:49 2012
@@ -95,11 +95,11 @@
     # First select all interatom containers if the change_all flag is set.
     if change_all:
         # Interatomic data loop.
-        for interatom in interatomic_loop():
+        for interatom in interatomic_loop(selected=False):
             interatom.select = True
 
     # Interatomic data loop.
-    for interatom in interatomic_loop(selection1=spin_id1, 
selection2=spin_id2):
+    for interatom in interatomic_loop(selection1=spin_id1, 
selection2=spin_id2, selected=False):
         # Deselect just the specified residues.
         if change_all:
             interatom.select = False
@@ -387,11 +387,11 @@
     # First deselect all interatom containers if the change_all flag is set.
     if change_all:
         # Interatomic data loop.
-        for interatom in interatomic_loop():
+        for interatom in interatomic_loop(selected=False):
             interatom.select = False
 
     # Interatomic data loop.
-    for interatom in interatomic_loop(selection1=spin_id1, 
selection2=spin_id2):
+    for interatom in interatomic_loop(selection1=spin_id1, 
selection2=spin_id2, selected=False):
         # Select just the specified containers.
         if change_all:
             interatom.select = True