r20437 - /branches/relax_disp/auto_analyses/relax_disp.py -- July 20, 2013 - 17:22

Author: bugman
Date: Sat Jul 20 17:22:52 2013
New Revision: 20437

URL: http://svn.gna.org/viewcvs/relax?rev=20437&view=rev
Log:
Fix for the dispersion auto-analysis if not enough models have been input for 
a final run.

The final model selection, Monte Carlo simulation, and results writing stage 
of the auto-analysis
now only occurs when enough models are present for model selection.


Modified:
    branches/relax_disp/auto_analyses/relax_disp.py

Modified: branches/relax_disp/auto_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/auto_analyses/relax_disp.py?rev=20437&r1=20436&r2=20437&view=diff
==============================================================================
--- branches/relax_disp/auto_analyses/relax_disp.py (original)
+++ branches/relax_disp/auto_analyses/relax_disp.py Sat Jul 20 17:22:52 2013
@@ -279,22 +279,25 @@
             # Write out the results.
             self.write_results(path=path, model=model)
 
-        # Perform model selection, writing out the final results.
+        # The final model selection data pipe.
         if len(model_pipes) >= 2:
+            # Perform model selection.
             self.interpreter.model_selection(method=self.modsel, 
modsel_pipe='final', pipes=model_pipes)
+
+            # Final Monte Carlo simulations only.
+            if not self.mc_sim_all_models:
+                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('simplex', 
func_tol=self.opt_func_tol, max_iter=self.opt_max_iterations, 
constraints=True)
+                self.interpreter.monte_carlo.error_analysis()
+
+            # Writing out the final results.
             self.write_results(path=self.results_dir+sep+'final')
 
         # No model selection.
         else:
             warn(RelaxWarning("Model selection in the dispersion 
auto-analysis has been skipped as only %s models have been optimised." % 
len(model_pipes)))
-
-        # Final Monte Carlo simulations only.
-        if not self.mc_sim_all_models:
-            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('simplex', func_tol=self.opt_func_tol, 
max_iter=self.opt_max_iterations, constraints=True)
-            self.interpreter.monte_carlo.error_analysis()
 
         # Finally save the program state.
         self.interpreter.state.save(state='final_state', 
dir=self.results_dir, force=True)