mailr11344 - /branches/bieri_gui/auto_analyses/relax_fit.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by michael . bieri on July 27, 2010 - 03:34:
Author: michaelbieri
Date: Tue Jul 27 03:34:50 2010
New Revision: 11344

URL: http://svn.gna.org/viewcvs/relax?rev=11344&view=rev
Log:
Parameter to specify if grace plots are opened automatically is introduced.

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=11344&r1=11343&r2=11344&view=diff
==============================================================================
--- branches/bieri_gui/auto_analyses/relax_fit.py (original)
+++ branches/bieri_gui/auto_analyses/relax_fit.py Tue Jul 27 03:34:50 2010
@@ -29,7 +29,7 @@
 
 
 class Relax_fit:
-    def __init__(self, pipe_name='rx', seq_args=None, file_names=None, 
relax_times=None, int_method='height', mc_num=500):
+    def __init__(self, pipe_name='rx', seq_args=None, file_names=None, 
relax_times=None, , view_plots=True, int_method='height', mc_num=500):
         """Perform relaxation curve fitting.
 
         @keyword pipe_name:     The name of the data pipe to create.
@@ -40,6 +40,8 @@
         @type file_names:       list of str
         @keyword relax_times:   The list of relaxation times corresponding 
to file_names.  These two lists must be of the same size.
         @type relax_times:      list of float
+        @keyword view_plots:    Flag to automatically viu grace plots after 
calculation.
+        @type view_plots:       boolean
         @keyword int_method:    The integration method, one of 'height', 
'point sum' or 'other'.
         @type int_method:       str
         @keyword mc_num:        The number of Monte Carlo simulations to be 
used for error analysis at the end of the analysis.
@@ -51,6 +53,7 @@
         self.seq_args = seq_args
         self.file_names = file_names
         self.relax_times = relax_times
+        self.view_plots = view_plots
         self.int_method = int_method
         self.mc_num = mc_num
 
@@ -125,12 +128,13 @@
         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')
+        # Display the Grace plots if selected.
+        if self.view_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')
 
         # Save the program state.
         self.interpreter.state.save('rx.save', force=True)




Related Messages


Powered by MHonArc, Updated Tue Jul 27 04:00:02 2010