r10931 - /branches/bieri_gui/auto_analyses/relax_fit.py -- February 25, 2010 - 05:52

Author: michaelbieri
Date: Thu Feb 25 05:52:51 2010
New Revision: 10931

URL: http://svn.gna.org/viewcvs/relax?rev=10931&view=rev
Log:
Output file are better labled.

E.g. a R2 output file at 600 MHz will be 'r2_600.out'. In addition. grace 
will not open automatically after the calculation.

Modified:
    branches/bieri_gui/auto_analyses/relax_fit.py

Modified: branches/bieri_gui/auto_analyses/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/relax_fit.py?rev=10931&r1=10930&r2=10931&view=diff
==============================================================================
--- branches/bieri_gui/auto_analyses/relax_fit.py (original)
+++ branches/bieri_gui/auto_analyses/relax_fit.py Thu Feb 25 05:52:51 2010
@@ -142,27 +142,20 @@
         self.interpreter.monte_carlo.error_analysis()
 
         # Save the relaxation rates.
-        self.interpreter.value.write(param='rx', file='rx.out', force=True)
+        self.interpreter.value.write(param='rx', 
file='r'+self.rx_type+'_'+self.freq+'.out', dir = self.directory, force=True)
 
         # Save the results.
-        self.interpreter.results.write(file='results', force=True)
+        self.interpreter.results.write(file='results', dir = self.directory, 
force=True)
 
         # Create Grace plots of the data.
-        self.interpreter.grace.write(y_data_type='chi2', file='chi2.agr', 
force=True)    # Minimised chi-squared value.
-        self.interpreter.grace.write(y_data_type='i0', file='i0.agr', 
force=True)    # Initial peak intensity.
-        self.interpreter.grace.write(y_data_type='rx', file='rx.agr', 
force=True)    # Relaxation rate.
-        self.interpreter.grace.write(x_data_type='relax_times', 
y_data_type='int', file='intensities.agr', force=True)    # Average peak 
intensities.
-        self.interpreter.grace.write(x_data_type='relax_times', 
y_data_type='int', norm=True, file='intensities_norm.agr', force=True)    # 
Average peak intensities (normalised).
-
-        # Display the Grace plots.
-        self.interpreter.grace.view(file='chi2.agr')
-        self.interpreter.grace.view(file='i0.agr')
-        self.interpreter.grace.view(file='rx.agr')
-        self.interpreter.grace.view(file='intensities.agr')
-        self.interpreter.grace.view(file='intensities_norm.agr')
+        self.interpreter.grace.write(y_data_type='chi2', file='chi2.agr', 
dir = self.grace_dir, force=True)    # Minimised chi-squared value.
+        self.interpreter.grace.write(y_data_type='i0', file='i0.agr', dir = 
self.grace_dir, force=True)    # Initial peak intensity.
+        self.interpreter.grace.write(y_data_type='rx', 
file='r'+self.rx_type+'_'+self.freq+'.agr', dir = self.grace_dir, force=True) 
   # Relaxation rate.
+        self.interpreter.grace.write(x_data_type='relax_times', 
y_data_type='int', file='intensities.agr', dir = self.grace_dir, force=True)  
  # Average peak intensities.
+        self.interpreter.grace.write(x_data_type='relax_times', 
y_data_type='int', norm=True, file='intensities_norm.agr', dir = 
self.grace_dir, force=True)    # Average peak intensities (normalised).
 
         # Save the program state.
-        self.interpreter.state.save('rx.save', force=True)
+        self.interpreter.state.save(state = 
'r'+self.rx_type+'_'+self.freq+'.save', dir = self.directory, force=True)
 
 
     def check_vars(self):