r11518 - /1.3/specific_fns/frame_order.py -- August 16, 2010 - 18:21

Author: bugman
Date: Mon Aug 16 18:21:20 2010
New Revision: 11518

URL: http://svn.gna.org/viewcvs/relax?rev=11518&view=rev
Log:
Bug fix for the unpacking of results from the torsionless isotropic cone 
frame order model.

The optimised cone angle was being set to the order parameter in cone_s1.


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=11518&r1=11517&r2=11518&view=diff
==============================================================================
--- 1.3/specific_fns/frame_order.py (original)
+++ 1.3/specific_fns/frame_order.py Mon Aug 16 18:21:20 2010
@@ -570,7 +570,10 @@
             ave_pos_alpha, ave_pos_beta, ave_pos_gamma, eigen_alpha, 
eigen_beta, eigen_gamma, cone_theta_x, cone_theta_y = param_vector
         elif cdp.model == 'iso cone':
             ave_pos_alpha, ave_pos_beta, ave_pos_gamma, eigen_alpha, 
eigen_beta, eigen_gamma, cone_theta, cone_sigma_max = param_vector
-        elif cdp.model in ['iso cone, torsionless', 'iso cone, free rotor']:
+        elif cdp.model in ['iso cone, torsionless']:
+            ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, cone_theta = 
param_vector
+            ave_pos_alpha = 0.0
+        elif cdp.model in ['iso cone, free rotor']:
             ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, cone_s1 = 
param_vector
             ave_pos_alpha = 0.0
         elif cdp.model == 'line':