r24571 - /branches/zooming_grid_search/pipe_control/minimise.py -- July 18, 2014 - 16:13

Author: bugman
Date: Fri Jul 18 16:13:11 2014
New Revision: 24571

URL: http://svn.gna.org/viewcvs/relax?rev=24571&view=rev
Log:
Changed the order of operations in the minimisation user function backends.

The specific analysis API overfit_deselect() method needs to be called before 
any grid bounds,
increments, or the scaling matrices are assembled.  This is for the cases 
when the grid bounds or
scaling factors are functions rather than values.


Modified:
    branches/zooming_grid_search/pipe_control/minimise.py

Modified: branches/zooming_grid_search/pipe_control/minimise.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/pipe_control/minimise.py?rev=24571&r1=24570&r2=24571&view=diff
==============================================================================
--- branches/zooming_grid_search/pipe_control/minimise.py       (original)
+++ branches/zooming_grid_search/pipe_control/minimise.py       Fri Jul 18 
16:13:11 2014
@@ -89,11 +89,11 @@
     # The specific analysis API object.
     api = return_api()
 
+    # Deselect spins lacking data:
+    api.overfit_deselect()
+
     # Create the scaling matrix.
     scaling_matrix = assemble_scaling_matrix()
-
-    # Deselect spins lacking data:
-    api.overfit_deselect()
 
     # Get the Processor box singleton (it contains the Processor instance) 
and alias the Processor.
     processor_box = Processor_box() 
@@ -151,14 +151,14 @@
     # The specific analysis API object.
     api = return_api()
 
+    # Deselect models lacking data:
+    api.overfit_deselect()
+
     # Determine the model specific grid bounds, and allow for the zooming 
grid search, and check the inc argument.
     model_lower, model_upper, model_inc = grid_setup(lower, upper, inc)
 
     # Create the scaling matrix.
     scaling_matrix = assemble_scaling_matrix()
-
-    # Deselect spins lacking data:
-    api.overfit_deselect()
 
     # Get the Processor box singleton (it contains the Processor instance) 
and alias the Processor.
     processor_box = Processor_box() 
@@ -360,11 +360,11 @@
         min_options.append(hessian_type)
     min_options = tuple(min_options)
 
+    # Deselect spins lacking data:
+    api.overfit_deselect()
+
     # Create the scaling matrix.
     scaling_matrix = assemble_scaling_matrix(scaling)
-
-    # Deselect spins lacking data:
-    api.overfit_deselect()
 
     # Get the Processor box singleton (it contains the Processor instance) 
and alias the Processor.
     processor_box = Processor_box()