r23634 - /branches/frame_order_cleanup/auto_analyses/frame_order.py -- June 04, 2014 - 13:54

Author: bugman
Date: Wed Jun  4 13:54:40 2014
New Revision: 23634

URL: http://svn.gna.org/viewcvs/relax?rev=23634&view=rev
Log:
Optimisation constraints are no longer turned off in the frame order 
auto-analysis.

Constraints are now supported by all frame order models, or automatically 
turned off for those which
do not have parameter constraints.


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=23634&r1=23633&r2=23634&view=diff
==============================================================================
--- branches/frame_order_cleanup/auto_analyses/frame_order.py   (original)
+++ branches/frame_order_cleanup/auto_analyses/frame_order.py   Wed Jun  4 
13:54:40 2014
@@ -137,7 +137,7 @@
                 self.interpreter.monte_carlo.setup(number=self.mc_sim_num)
                 self.interpreter.monte_carlo.create_data()
                 self.interpreter.monte_carlo.initial_values()
-                self.interpreter.minimise(self.min_algor, 
func_tol=self.mc_func_tol, constraints=False)
+                self.interpreter.minimise(self.min_algor, 
func_tol=self.mc_func_tol)
                 self.interpreter.eliminate()
                 self.interpreter.monte_carlo.error_analysis()
 
@@ -357,12 +357,12 @@
 
             # Grid search.
             incs = self.custom_grid_incs(model)
-            self.interpreter.grid_search(inc=incs, constraints=False)
+            self.interpreter.grid_search(inc=incs)
 
             # Minimise (for the PCS data subset and full RDC set).
             for i in range(len(self.num_int_pts_subset)):
                 
self.interpreter.frame_order.num_int_pts(num=self.num_int_pts_subset[i])
-                self.interpreter.minimise(self.min_algor, 
func_tol=self.func_tol_subset[i], constraints=False)
+                self.interpreter.minimise(self.min_algor, 
func_tol=self.func_tol_subset[i])
 
             # Copy the PCS data.
             self.interpreter.pcs.copy(pipe_from=self.data_pipe_full, 
pipe_to=self.pipe_name_dict[model])
@@ -370,7 +370,7 @@
             # Minimise (for the full data set).
             for i in range(len(self.num_int_pts_full)):
                 
self.interpreter.frame_order.num_int_pts(num=self.num_int_pts_full[i])
-                self.interpreter.minimise(self.min_algor, 
func_tol=self.func_tol_full[i], constraints=False)
+                self.interpreter.minimise(self.min_algor, 
func_tol=self.func_tol_full[i])
 
             # Results printout.
             self.print_results()
@@ -421,13 +421,13 @@
         print("\n\nTranslation active - splitting the grid search and 
iterating.")
         for i in range(2):
             # First optimise the rotation.
-            self.interpreter.grid_search(inc=[None, None, None, 
self.grid_inc_rigid, self.grid_inc_rigid, self.grid_inc_rigid], 
constraints=False)
+            self.interpreter.grid_search(inc=[None, None, None, 
self.grid_inc_rigid, self.grid_inc_rigid, self.grid_inc_rigid])
 
             # Then the translation.
-            self.interpreter.grid_search(inc=[self.grid_inc_rigid, 
self.grid_inc_rigid, self.grid_inc_rigid, None, None, None], 
constraints=False)
+            self.interpreter.grid_search(inc=[self.grid_inc_rigid, 
self.grid_inc_rigid, self.grid_inc_rigid, None, None, None])
 
         # Minimise.
-        self.interpreter.minimise(self.min_algor, constraints=False)
+        self.interpreter.minimise(self.min_algor)
 
         # Results printout.
         self.print_results()