r18468 - /branches/frame_order_testing/specific_fns/frame_order.py -- February 13, 2013 - 17:04

Author: bugman
Date: Wed Feb 13 17:04:00 2013
New Revision: 18468

URL: http://svn.gna.org/viewcvs/relax?rev=18468&view=rev
Log:
Fix for the _minimise_setup_atomic_pos() frame order specific method.

The single atomic positions are now properly detected.  Previously these were 
incorrectly detected
to be multiple atomic positions.


Modified:
    branches/frame_order_testing/specific_fns/frame_order.py

Modified: branches/frame_order_testing/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/specific_fns/frame_order.py?rev=18468&r1=18467&r2=18468&view=diff
==============================================================================
--- branches/frame_order_testing/specific_fns/frame_order.py (original)
+++ branches/frame_order_testing/specific_fns/frame_order.py Wed Feb 13 
17:04:00 2013
@@ -640,7 +640,7 @@
                 continue
 
             # A single atomic position.
-            if len(spin.pos) == 1:
+            if spin.pos.shape == (3,):
                 atomic_pos.append(spin.pos[0])
 
             # Average multiple atomic positions.