r22550 - /trunk/auto_analyses/noe.py -- March 26, 2014 - 19:28

Author: bugman
Date: Wed Mar 26 19:28:47 2014
New Revision: 22550

URL: http://svn.gna.org/viewcvs/relax?rev=22550&view=rev
Log:
Changed the Noe auto-analysis to properly handle the peak intensity Grace 
plots.

This relates to bug #21863 (https://gna.org/bugs/?21863), the grace.write 
user function not being
able to write ref/sat plots as described in sample script noe.py.

Instead of trying to produce the 'ref.agr' and 'sat.agr' files for the 
non-existent 'ref' and 'sat'
parameters, instead the 'intensities.agr' file is being produced for the peak 
intensity parameter.
The reference and saturated intensities will appear as two graph sets within 
that plot.


Modified:
    trunk/auto_analyses/noe.py

Modified: trunk/auto_analyses/noe.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/noe.py?rev=22550&r1=22549&r2=22550&view=diff
==============================================================================
--- trunk/auto_analyses/noe.py  (original)
+++ trunk/auto_analyses/noe.py  Wed Mar 26 19:28:47 2014
@@ -111,8 +111,7 @@
         self.interpreter.results.write(file='results', dir=self.results_dir, 
force=True)
 
         # Create Grace plots of the data.
-        self.interpreter.grace.write(y_data_type='ref', file='ref.agr', 
dir=self.grace_dir, force=True)
-        self.interpreter.grace.write(y_data_type='sat', file='sat.agr', 
dir=self.grace_dir, force=True)
+        self.interpreter.grace.write(y_data_type='intensities', 
file='intensities.agr', dir=self.grace_dir, force=True)
         self.interpreter.grace.write(y_data_type='noe', file='noe.agr', 
dir=self.grace_dir, force=True)
 
         # Save the program state.