r22659 - /trunk/specific_analyses/frame_order/optimisation.py -- April 07, 2014 - 13:15

Author: bugman
Date: Mon Apr  7 13:15:32 2014
New Revision: 22659

URL: http://svn.gna.org/viewcvs/relax?rev=22659&view=rev
Log:
Bug fixes for the frame order axis alpha parameter in the 
unpack_opt_results() function.

This is in specific_analyses.frame_order.optimisation.unpack_opt_results().  
The axis alpha angle
from optimisation was being stored as axis_phi angle instead.  And the axis 
alpha angle was not
being handled by the Monte Carlo simulations.


Modified:
    trunk/specific_analyses/frame_order/optimisation.py

Modified: trunk/specific_analyses/frame_order/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/frame_order/optimisation.py?rev=22659&r1=22658&r2=22659&view=diff
==============================================================================
--- trunk/specific_analyses/frame_order/optimisation.py (original)
+++ trunk/specific_analyses/frame_order/optimisation.py Mon Apr  7 13:15:32 
2014
@@ -837,6 +837,8 @@
             cdp.axis_theta_sim[sim_index] = wrap_angles(axis_theta, 
cdp.axis_theta-pi, cdp.axis_theta+pi)
         if axis_phi != None:
             cdp.axis_phi_sim[sim_index] = wrap_angles(axis_phi, 
cdp.axis_phi-pi, cdp.axis_phi+pi)
+        if axis_alpha != None:
+            cdp.axis_alpha_sim[sim_index] = wrap_angles(axis_alpha, 
cdp.axis_alpha-pi, cdp.axis_alpha+pi)
 
         # Cone parameters.
         if cone_theta != None:
@@ -887,7 +889,7 @@
         if axis_phi != None:
             cdp.axis_phi = wrap_angles(axis_phi, 0.0, 2.0*pi)
         if axis_alpha != None:
-            cdp.axis_phi = wrap_angles(axis_alpha, -pi, pi)
+            cdp.axis_alpha = wrap_angles(axis_alpha, -pi, pi)
 
         # Cone parameters.
         if cone_theta != None: