r25251 - /trunk/auto_analyses/relax_disp.py -- August 25, 2014 - 17:10

Author: bugman
Date: Mon Aug 25 17:10:57 2014
New Revision: 25251

URL: http://svn.gna.org/viewcvs/relax?rev=25251&view=rev
Log:
Turned off the optimisation constraints for the 'R2eff' model in the 
dispersion auto-analysis.

This follows from 
http://thread.gmane.org/gmane.science.nmr.relax.scm/22977/focus=6829.

This model does not require constraints at all, and the constraints only 
cause the optimisation to
take 10x longer to complete.  Therefore the constraint flag has been set to 
False for the model.


Modified:
    trunk/auto_analyses/relax_disp.py

Modified: trunk/auto_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/relax_disp.py?rev=25251&r1=25250&r2=25251&view=diff
==============================================================================
--- trunk/auto_analyses/relax_disp.py   (original)
+++ trunk/auto_analyses/relax_disp.py   Mon Aug 25 17:10:57 2014
@@ -420,9 +420,12 @@
                     if is_r1_optimised(model=model):
                         self.interpreter.value.set(param='r1', index=None)
 
-        # Minimise.
+        # 'R2eff' model minimisation flags.
         do_minimise = False
         if model == MODEL_R2EFF:
+            # The constraints flag.
+            constraints = False
+
             # Check if all spins contains 'r2eff and it associated error.
             has_r2eff = False
 
@@ -447,12 +450,14 @@
             elif not has_r2eff:
                 do_minimise = True
 
+        # Dispersion model minimisation flags.
         else:
             do_minimise = True
+            constraints = True
 
         # Do the minimisation.
         if do_minimise:
-            self.interpreter.minimise.execute('simplex', 
func_tol=self.opt_func_tol, max_iter=self.opt_max_iterations, 
constraints=True)
+            self.interpreter.minimise.execute('simplex', 
func_tol=self.opt_func_tol, max_iter=self.opt_max_iterations, 
constraints=constraints)
 
         # Model elimination.
         if self.eliminate: