r19874 - /branches/relax_disp/auto_analyses/relax_disp.py -- June 05, 2013 - 18:59

Author: bugman
Date: Wed Jun  5 18:59:13 2013
New Revision: 19874

URL: http://svn.gna.org/viewcvs/relax?rev=19874&view=rev
Log:
Expanded the relaxation dispersion auto-analysis.

A final step of model selection has been added to select between the 
different models for each spin
cluster.  This is stored in the 'final' data pipe, and its results output via 
the write_results()
method.


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=19874&r1=19873&r2=19874&view=diff
==============================================================================
--- branches/relax_disp/auto_analyses/relax_disp.py (original)
+++ branches/relax_disp/auto_analyses/relax_disp.py Wed Jun  5 18:59:13 2013
@@ -155,13 +155,19 @@
         self.error_analysis()
 
         # Loop over the models.
+        model_pipes = []
         for model in self.models:
             # Printout.
             subtitle(file=sys.stdout, text="The '%s' model" % model, 
prespace=3)
 
+            # The name of the data pipe for the model.
+            model_pipe = model
+            if model != 'R2eff':
+                model_pipes.append(model_pipe)
+
             # Create the data pipe by copying the base pipe, then switching 
to it.
-            self.interpreter.pipe.copy(pipe_from=self.pipe_name, 
pipe_to=model, bundle_to=self.pipe_bundle)
-            self.interpreter.pipe.switch(model)
+            self.interpreter.pipe.copy(pipe_from=self.pipe_name, 
pipe_to=model_pipe, bundle_to=self.pipe_bundle)
+            self.interpreter.pipe.switch(model_pipe)
 
             # Select the model.
             self.interpreter.relax_disp.select_model(model)
@@ -185,6 +191,12 @@
             # Write out the results.
             self.write_results(path=self.results_dir+sep+model)
 
+        # Perform model selection.
+        self.interpreter.model_selection(method='AIC', modsel_pipe='final', 
pipes=model_pipes)
+
+        # Write out the final results.
+        self.write_results(path=self.results_dir+sep+'final')
+
 
     def write_results(self, path=None):
         """Create a set of results, text and Grace files for the current 
data pipe.