r24590 - /branches/zooming_grid_search/pipe_control/minimise.py -- July 22, 2014 - 10:15

Author: bugman
Date: Tue Jul 22 10:15:15 2014
New Revision: 24590

URL: http://svn.gna.org/viewcvs/relax?rev=24590&view=rev
Log:
Fixes for the grid search backend for a recent breakage and expansion of its 
capabilities.

The user supplied lower and upper bounds for the grid search were no longer 
being scaled via the
scaling matrix.

In addition, the code has been refactored to be simpler and more flexible.  
The user can now supply
just the lower or just the upper bounds and the grid search will work.


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=24590&r1=24589&r2=24590&view=diff
==============================================================================
--- branches/zooming_grid_search/pipe_control/minimise.py       (original)
+++ branches/zooming_grid_search/pipe_control/minimise.py       Tue Jul 22 
10:15:15 2014
@@ -242,6 +242,12 @@
         if n == 0:
             raise RelaxError("Cannot run a grid search on a model with zero 
parameters.")
 
+        # Check that the user supplied bound lengths are ok.
+        if lower != None and len(lower) != n:
+            raise RelaxLenError('lower bounds', n)
+        if upper != None and len(upper) != n:
+            raise RelaxLenError('upper bounds', n)
+
         # Check the user supplied increments.
         if isinstance(inc, list) and len(inc) != n:
             raise RelaxLenError('increment', n)
@@ -258,35 +264,33 @@
         else:
             model_inc.append(inc)
 
-        # The lower and upper bounds have been supplied by the user, so use 
those unmodified instead.
-        if lower != None or upper != None:
-            # Check that the user supplied bound lengths are ok.
-            if len(lower) != n:
-                raise RelaxLenError('lower bounds', n)
-            if len(upper) != n:
-                raise RelaxLenError('upper bounds', n)
-
-            # Append the values.
-            model_lower.append(lower)
-            model_upper.append(upper)
-
-            # Skip the rest of the loop.
-            continue
-
         # Print out the model title.
         api.print_model_title(model_info)
 
-        # Build the bounds.
+        # Append empty lists for the bounds to be built up.
         model_lower.append([])
         model_upper.append([])
+
+        # Loop over the parameters.
         for i in range(n):
-            # Obtain the bounds.
-            lower_i = param_object.grid_lower(names[i], 
model_info=model_info)
-            upper_i = param_object.grid_upper(names[i], 
model_info=model_info)
+            # The lower bound for this parameter.
+            if lower != None:
+                lower_i = lower[i]
+            else:
+                lower_i = param_object.grid_lower(names[i], 
model_info=model_info)
+
+            # The upper bound for this parameter.
+            if upper != None:
+                upper_i = upper[i]
+            else:
+                upper_i = param_object.grid_upper(names[i], 
model_info=model_info)
+
+            # The scaling factor.
 
             # Scale the bounds.
-            lower_i /= param_object.scaling(names[i], model_info=model_info)
-            upper_i /= param_object.scaling(names[i], model_info=model_info)
+            scaling = param_object.scaling(names[i], model_info=model_info)
+            lower_i /= scaling
+            upper_i /= scaling
 
             # Append.
             model_lower[-1].append(lower_i)