r11433 - /1.3/specific_fns/frame_order.py -- August 06, 2010 - 15:29

Author: bugman
Date: Fri Aug  6 15:29:00 2010
New Revision: 11433

URL: http://svn.gna.org/viewcvs/relax?rev=11433&view=rev
Log:
The isotropic cone parameter cone_theta is now being unpacked and stored 
after optimisation.


Modified:
    1.3/specific_fns/frame_order.py

Modified: 1.3/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/frame_order.py?rev=11433&r1=11432&r2=11433&view=diff
==============================================================================
--- 1.3/specific_fns/frame_order.py (original)
+++ 1.3/specific_fns/frame_order.py Fri Aug  6 15:29:00 2010
@@ -568,6 +568,7 @@
         eigen_alpha, eigen_beta, eigen_gamma = None, None, None
         axis_theta, axis_phi = None, None
         cone_theta_x, cone_theta_y = None, None
+        cone_theta = None
         cone_s1 = None
         cone_sigma_max = None
         if cdp.model == 'pseudo-ellipse':
@@ -611,6 +612,8 @@
                 cdp.axis_phi_sim[sim_index] = axis_phi
 
             # Cone parameters.
+            if cone_theta != None:
+                cdp.cone_theta_sim[sim_index] = cone_theta
             if cone_s1 != None:
                 cdp.cone_s1_sim[sim_index] = cone_s1
                 cdp.cone_theta[sim_index] = 
order_parameters.iso_cone_S_to_cos_theta(cone_s1)
@@ -652,6 +655,8 @@
                 cdp.axis_phi = axis_phi
 
             # Cone parameters.
+            if cone_theta != None:
+                cdp.cone_theta = cone_theta
             if cone_s1 != None:
                 cdp.cone_s1 = cone_s1
                 cdp.cone_theta = 
order_parameters.iso_cone_S_to_cos_theta(cone_s1)