r23771 - /branches/frame_order_cleanup/specific_analyses/frame_order/uf.py -- June 10, 2014 - 09:15

Author: bugman
Date: Tue Jun 10 09:15:53 2014
New Revision: 23771

URL: http://svn.gna.org/viewcvs/relax?rev=23771&view=rev
Log:
Fix for the free rotor PDB representation created by the 
frame_order.pdb_model user function.

The simulation axes were being incorrectly generated from the theta and phi 
angles, which no longer
exist as they have been replaced by the alpha angle.


Modified:
    branches/frame_order_cleanup/specific_analyses/frame_order/uf.py

Modified: branches/frame_order_cleanup/specific_analyses/frame_order/uf.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/uf.py?rev=23771&r1=23770&r2=23771&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/uf.py    
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/uf.py    Tue 
Jun 10 09:15:53 2014
@@ -236,7 +236,7 @@
 
             # Fill the structure.
             for i in range(cdp.sim_number):
-                if cdp.model in ['rotor']:
+                if cdp.model in ['rotor', 'free rotor']:
                     axis_sim[i] = 
create_rotor_axis_alpha(alpha=cdp.axis_alpha_sim[i], pivot=pivot, point=com)
                 else:
                     axis_sim[i] = 
create_rotor_axis_spherical(theta=cdp.axis_theta_sim[i], 
phi=cdp.axis_phi_sim[i])