r18893 - /branches/frame_order_testing/specific_fns/frame_order.py -- March 19, 2013 - 17:24

Author: bugman
Date: Tue Mar 19 17:24:32 2013
New Revision: 18893

URL: http://svn.gna.org/viewcvs/relax?rev=18893&view=rev
Log:
Fixes for the average structure creation component of the 
frame_order.pdb_model user function.

The correct pivot point for the average domain position rotation is now taken 
into account for when
the position is set to the CoM.


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=18893&r1=18892&r2=18893&view=diff
==============================================================================
--- branches/frame_order_testing/specific_fns/frame_order.py (original)
+++ branches/frame_order_testing/specific_fns/frame_order.py Tue Mar 19 
17:24:32 2013
@@ -966,7 +966,11 @@
             euler_to_R_zyz(cdp.ave_pos_alpha, cdp.ave_pos_beta, 
cdp.ave_pos_gamma, R)
         else:
             euler_to_R_zyz(0.0, cdp.ave_pos_beta, cdp.ave_pos_gamma, R)
-        structure.rotate(R=R, origin=cdp.pivot, 
atom_id=self._domain_moving())
+        if cdp.ave_pos_pivot == 'com':
+            origin = centre_of_mass(atom_id=self._domain_moving(), 
verbosity=0)
+        else:
+            origin = cdp.pivot
+        structure.rotate(R=R, origin=origin, atom_id=self._domain_moving())
 
         # Then translate the moving domain.
         if not self._translation_fixed():