r27206 - /trunk/specific_analyses/relax_disp/optimisation.py -- January 16, 2015 - 23:19

Author: tlinnet
Date: Fri Jan 16 23:19:56 2015
New Revision: 27206

URL: http://svn.gna.org/viewcvs/relax?rev=27206&view=rev
Log:
Extracted "sos" and "sos_std" after grid search.

Task #7882 (https://gna.org/task/?7882): Implement Monte-Carlo simulation, 
where errors are generated with width of standard deviation or residuals.

Modified:
    trunk/specific_analyses/relax_disp/optimisation.py

Modified: trunk/specific_analyses/relax_disp/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/optimisation.py?rev=27206&r1=27205&r2=27206&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/optimisation.py  (original)
+++ trunk/specific_analyses/relax_disp/optimisation.py  Fri Jan 16 23:19:56 
2015
@@ -637,6 +637,9 @@
             g_count = 0.0
             h_count = 0.0
 
+            # Get the sum of squares of the residuals and the standard 
deviation of this.
+            sos, sos_std = model.get_sum_of_squares()
+
         # Minimisation.
         else:
             results = generic_minimise(func=model.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)