r9544 - /1.3/specific_fns/frame_order.py -- September 21, 2009 - 13:25

Author: bugman
Date: Mon Sep 21 13:25:14 2009
New Revision: 9544

URL: http://svn.gna.org/viewcvs/relax?rev=9544&view=rev
Log:
Modified the frame order grid search.

The angle end points are now avoided (as they are the same as the start 
points) and the beta Euler
angle increments are halved, as the search is half of that of alpha and gamma 
(0 to pi).


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=9544&r1=9543&r2=9544&view=diff
==============================================================================
--- 1.3/specific_fns/frame_order.py (original)
+++ 1.3/specific_fns/frame_order.py Mon Sep 21 13:25:14 2009
@@ -608,19 +608,19 @@
         for i in xrange(n):
             # Euler angles.
             if cdp.params[i] == 'alpha':
-                grid_ops.append([inc[i], 0.0, 2*pi])
+                grid_ops.append([inc[i], 0.0, 2*pi * (1.0 - 1.0/inc[i])])
             if cdp.params[i] == 'beta':
-                grid_ops.append([inc[i], 0.0, pi])
+                grid_ops.append([inc[i]/2, 0.0, pi * (1.0 - 1.0/inc[i])])
             if cdp.params[i] == 'gamma':
-                grid_ops.append([inc[i], 0.0, 2*pi])
+                grid_ops.append([inc[i], 0.0, 2*pi * (1.0 - 1.0/inc[i])])
 
             # The isotropic cone model.
             if cdp.model == 'iso cone':
                 # Cone axis angles and cone angle.
                 if cdp.params[i] == 'theta_axis':
-                    grid_ops.append([inc[i], 0.0, pi])
+                    grid_ops.append([inc[i], 0.0, pi * (1.0 - 1.0/inc[i])])
                 if cdp.params[i] == 'phi_axis':
-                    grid_ops.append([inc[i], 0.0, 2*pi])
+                    grid_ops.append([inc[i], 0.0, 2*pi * (1.0 - 1.0/inc[i])])
 
                 # The cone angle.
                 if cdp.params[i] == 'theta_cone':