r22527 - /branches/double_rotor/specific_analyses/frame_order/optimisation.py -- March 25, 2014 - 10:37

Author: bugman
Date: Tue Mar 25 10:37:49 2014
New Revision: 22527

URL: http://svn.gna.org/viewcvs/relax?rev=22527&view=rev
Log:
The frame order optimisation results unpacking function now supports the axis 
alpha parameter.

This is in the function 
specific_analyses.frame_order.optimisation.unpack_opt_results().


Modified:
    branches/double_rotor/specific_analyses/frame_order/optimisation.py

Modified: branches/double_rotor/specific_analyses/frame_order/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/double_rotor/specific_analyses/frame_order/optimisation.py?rev=22527&r1=22526&r2=22527&view=diff
==============================================================================
--- branches/double_rotor/specific_analyses/frame_order/optimisation.py 
(original)
+++ branches/double_rotor/specific_analyses/frame_order/optimisation.py Tue 
Mar 25 10:37:49 2014
@@ -780,7 +780,7 @@
     # Unpack the parameters.
     ave_pos_alpha, ave_pos_beta, ave_pos_gamma = None, None, None
     eigen_alpha, eigen_beta, eigen_gamma = None, None, None
-    axis_theta, axis_phi = None, None
+    axis_theta, axis_phi, axis_alpha = None, None, None
     cone_theta_x, cone_theta_y = None, None
     cone_theta = None
     cone_s1 = None
@@ -801,7 +801,7 @@
     elif cdp.model in ['line, torsionless', 'line, free rotor']:
         ave_pos_alpha, ave_pos_beta, ave_pos_gamma, eigen_alpha, eigen_beta, 
eigen_gamma, cone_theta_x, cone_sigma_max = param_vector
     elif cdp.model in ['rotor']:
-        ave_pos_alpha, ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, 
cone_sigma_max = param_vector
+        ave_pos_alpha, ave_pos_beta, ave_pos_gamma, axis_alpha, 
cone_sigma_max = param_vector
     elif cdp.model in ['free rotor']:
         ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi = param_vector
         ave_pos_alpha = None
@@ -884,6 +884,8 @@
             cdp.axis_theta = wrap_angles(axis_theta, 0.0, 2.0*pi)
         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)
 
         # Cone parameters.
         if cone_theta != None: