r18570 - /branches/frame_order_testing/specific_fns/frame_order.py -- February 23, 2013 - 10:09

Author: bugman
Date: Sat Feb 23 10:09:31 2013
New Revision: 18570

URL: http://svn.gna.org/viewcvs/relax?rev=18570&view=rev
Log:
Fix for the frame order grid search for when the pivot point is to be 
optimised.

The construction of the custom grid point array was failing when the pivot 
point is to be optimised.


Modified:
    branches/frame_order_testing/specific_fns/frame_order.py

Modified: branches/frame_order_testing/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/specific_fns/frame_order.py?rev=18570&r1=18569&r2=18570&view=diff
==============================================================================
--- branches/frame_order_testing/specific_fns/frame_order.py (original)
+++ branches/frame_order_testing/specific_fns/frame_order.py Sat Feb 23 
10:09:31 2013
@@ -2032,8 +2032,13 @@
             for j in range(n):
                 # Fixed parameter.
                 if grid[j] == None:
-                    # Get the current parameter value.
-                    pts[i, j] = getattr(cdp, cdp.params[j]) / 
scaling_matrix[j, j]
+                    # Get the current parameter value (pivot, assuming the 
pivot point is always at the start of the parameter array).
+                    if cdp.params[j] in ['pivot_x', 'pivot_y', 'pivot_z']:
+                        pts[i, j] = cdp.pivot[j] / scaling_matrix[j, j]
+
+                    # Get the current parameter value (normal parameter).
+                    else:
+                        pts[i, j] = getattr(cdp, cdp.params[j]) / 
scaling_matrix[j, j]
 
                 # Add the point coordinate.
                 else: