r24816 - /branches/frame_order_cleanup/auto_analyses/frame_order.py -- July 29, 2014 - 17:38

Author: bugman
Date: Tue Jul 29 17:38:31 2014
New Revision: 24816

URL: http://svn.gna.org/viewcvs/relax?rev=24816&view=rev
Log:
Modified the optimisation of the rigid model in the frame order auto-analysis.

The grid search is now implemented as a zooming grid search.


Modified:
    branches/frame_order_cleanup/auto_analyses/frame_order.py

Modified: branches/frame_order_cleanup/auto_analyses/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/auto_analyses/frame_order.py?rev=24816&r1=24815&r2=24816&view=diff
==============================================================================
--- branches/frame_order_cleanup/auto_analyses/frame_order.py   (original)
+++ branches/frame_order_cleanup/auto_analyses/frame_order.py   Tue Jul 29 
17:38:31 2014
@@ -578,14 +578,20 @@
         # Select the Frame Order model.
         self.interpreter.frame_order.select_model(model=model)
 
-        # Split grid search for the translation.
+        # Split zooming grid search for the translation.
         print("\n\nTranslation active - splitting the grid search and 
iterating.")
+        self.interpreter.value.set(param='ave_pos_x', val=0.0)
+        self.interpreter.value.set(param='ave_pos_y', val=0.0)
+        self.interpreter.value.set(param='ave_pos_z', val=0.0)
         for i in range(2):
+            # Set the zooming grid search level.
+            self.interpreter.minimise.grid_zoom(level=i)
+
             # First optimise the rotation.
-            self.interpreter.minimise.grid_search(inc=[None, None, None, 
self.grid_inc_rigid, self.grid_inc_rigid, self.grid_inc_rigid])
+            self.interpreter.minimise.grid_search(inc=[None, None, None, 
self.grid_inc_rigid, self.grid_inc_rigid, self.grid_inc_rigid], 
skip_preset=False)
 
             # Then the translation.
-            self.interpreter.minimise.grid_search(inc=[self.grid_inc_rigid, 
self.grid_inc_rigid, self.grid_inc_rigid, None, None, None])
+            self.interpreter.minimise.grid_search(inc=[self.grid_inc_rigid, 
self.grid_inc_rigid, self.grid_inc_rigid, None, None, None], 
skip_preset=False)
 
         # Minimise.
         self.interpreter.minimise.execute(self.min_algor)