r26005 - in /branches/frame_order_cleanup/specific_analyses/frame_order: api.py optimisation.py -- September 24, 2014 - 13:51

Author: bugman
Date: Wed Sep 24 13:51:26 2014
New Revision: 26005

URL: http://svn.gna.org/viewcvs/relax?rev=26005&view=rev
Log:
The Sobol' point counting is now turned off for the frame order optimisation 
functions if none exist.

If the cdp.quad_int flag is set, then there will be no Sobol' points to 
count.  This
count_sobol_point() user feedback function will therefore not be called by 
the minimise.calculate,
minimise.grid_search and minimise.execute user functions.


Modified:
    branches/frame_order_cleanup/specific_analyses/frame_order/api.py
    branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py

Modified: branches/frame_order_cleanup/specific_analyses/frame_order/api.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/api.py?rev=26005&r1=26004&r2=26005&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/api.py   
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/api.py   Wed 
Sep 24 13:51:26 2014
@@ -150,7 +150,8 @@
         store_bc_data(A_5D_bc=target_fn.A_5D_bc, 
pcs_theta=target_fn.pcs_theta, rdc_theta=target_fn.rdc_theta)
 
         # Feedback on the number of integration points used.
-        count_sobol_points(target_fn=target_fn)
+        if not cdp.quad_int:
+            count_sobol_points(target_fn=target_fn)
 
         # Printout.
         print("Chi2:  %s" % chi2)

Modified: 
branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py?rev=26005&r1=26004&r2=26005&view=diff
==============================================================================
--- 
branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py  
(original)
+++ 
branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py  
Wed Sep 24 13:51:26 2014
@@ -1210,7 +1210,8 @@
         results = generic_minimise(func=target_fn.func, args=(), 
x0=self.param_vector, min_algor=self.min_algor, min_options=self.min_options, 
func_tol=self.func_tol, grad_tol=self.grad_tol, maxiter=self.max_iterations, 
A=self.A, b=self.b, full_output=True, print_flag=self.verbosity)
 
         # Feedback on the number of integration points used.
-        count_sobol_points(target_fn=target_fn, verbosity=self.verbosity)
+        if not self.quad_int:
+            count_sobol_points(target_fn=target_fn, verbosity=self.verbosity)
 
         # Create the result command object on the slave to send back to the 
master.
         
processor.return_object(Frame_order_result_command(processor=processor, 
memo_id=self.memo_id, results=results, A_5D_bc=target_fn.A_5D_bc, 
pcs_theta=target_fn.pcs_theta, rdc_theta=target_fn.rdc_theta, 
completed=completed))