r24961 - /branches/R1_fitting/auto_analyses/relax_disp.py -- August 05, 2014 - 13:52

Author: tlinnet
Date: Tue Aug  5 13:52:43 2014
New Revision: 24961

URL: http://svn.gna.org/viewcvs/relax?rev=24961&view=rev
Log:
Re-arranged plotting and writing in auto analyses of relax disp, when model 
is R2eff.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation 
rate for the off-resonance R1rho relaxation dispersion models.

Modified:
    branches/R1_fitting/auto_analyses/relax_disp.py

Modified: branches/R1_fitting/auto_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/auto_analyses/relax_disp.py?rev=24961&r1=24960&r2=24961&view=diff
==============================================================================
--- branches/R1_fitting/auto_analyses/relax_disp.py     (original)
+++ branches/R1_fitting/auto_analyses/relax_disp.py     Tue Aug  5 13:52:43 
2014
@@ -575,10 +575,20 @@
         else:
             models_tested = None
 
-        # Exponential curves.
-        if model == MODEL_R2EFF and has_exponential_exp_type():
-            
self.interpreter.relax_disp.plot_exp_curves(file='intensities.agr', dir=path, 
force=True)    # Average peak intensities.
-            
self.interpreter.relax_disp.plot_exp_curves(file='intensities_norm.agr', 
dir=path, force=True, norm=True)    # Average peak intensities (normalised).
+        # Special for R2eff model.
+        if model == MODEL_R2EFF:
+            # The R2eff parameter.
+            self.interpreter.value.write(param='r2eff', file='r2eff.out', 
dir=path, force=True)
+            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='r2eff', file='r2eff.agr', dir=path, force=True)
+
+            # Exponential curves.
+            if has_exponential_exp_type():
+                
self.interpreter.relax_disp.plot_exp_curves(file='intensities.agr', dir=path, 
force=True)    # Average peak intensities.
+                
self.interpreter.relax_disp.plot_exp_curves(file='intensities_norm.agr', 
dir=path, force=True, norm=True)    # Average peak intensities (normalised).
+
+                # The I0 parameter.
+                self.interpreter.value.write(param='i0', file='i0.out', 
dir=path, force=True)
+                self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='i0', file='i0.agr', dir=path, force=True)
 
         # Dispersion curves.
         self.interpreter.relax_disp.plot_disp_curves(dir=path, force=True)
@@ -587,16 +597,6 @@
         # The selected models for the final run.
         if model == None:
             self.interpreter.value.write(param='model', file='model.out', 
dir=path, force=True)
-
-        # The R2eff parameter.
-        if model == MODEL_R2EFF:
-            self.interpreter.value.write(param='r2eff', file='r2eff.out', 
dir=path, force=True)
-            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='r2eff', file='r2eff.agr', dir=path, force=True)
-
-        # The I0 parameter.
-        if model == MODEL_R2EFF and has_exponential_exp_type():
-            self.interpreter.value.write(param='i0', file='i0.out', 
dir=path, force=True)
-            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='i0', file='i0.agr', dir=path, force=True)
 
         # For CPMG models.
         if has_cpmg_exp_type():