mailr14026 - /branches/gui_testing/gui/analyses/auto_noe.py


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Posted by edward on August 01, 2011 - 10:56:
Author: bugman
Date: Mon Aug  1 10:56:26 2011
New Revision: 14026

URL: http://svn.gna.org/viewcvs/relax?rev=14026&view=rev
Log:
Updated the NOE GUI auto-analysis.

The ref and sat Grace files are now added to the results list, and the save 
file is no longer
created.


Modified:
    branches/gui_testing/gui/analyses/auto_noe.py

Modified: branches/gui_testing/gui/analyses/auto_noe.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/analyses/auto_noe.py?rev=14026&r1=14025&r2=14026&view=diff
==============================================================================
--- branches/gui_testing/gui/analyses/auto_noe.py (original)
+++ branches/gui_testing/gui/analyses/auto_noe.py Mon Aug  1 10:56:26 2011
@@ -463,7 +463,7 @@
             sys.stderr = redir
 
         # Execute.
-        NOE_calc(pipe_name=self.data.pipe_name, 
file_root=self.data.file_root, results_dir=self.data.save_dir)
+        NOE_calc(pipe_name=self.data.pipe_name, 
file_root=self.data.file_root, results_dir=self.data.save_dir, 
save_state=False)
 
         # Alias the relax data store data.
         data = ds.relax_gui.analyses[self.data_index]
@@ -472,9 +472,12 @@
         if not hasattr(data, 'results_list'):
             data.results_list = []
 
-        # Add the NOE grace plot to the results list.
+        # Add the NOE grace plots to the results list.
+        data.results_list.append(data.save_dir+sep+'grace'+sep+'ref.agr')
+        data.results_list.append(data.save_dir+sep+'grace'+sep+'sat.agr')
         data.results_list.append(data.save_dir+sep+'grace'+sep+'noe.agr')
 
+        # FIXME:  This must be shifted to the core of relax!!!
         # Create a PyMOL macro, if a structure exists.
         if hasattr(data, 'structure_file'):
             # The macro.




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