r19788 - /branches/relax_disp/auto_analyses/relax_disp.py -- May 30, 2013 - 13:15

Author: bugman
Date: Thu May 30 13:15:16 2013
New Revision: 19788

URL: http://svn.gna.org/viewcvs/relax?rev=19788&view=rev
Log:
Changes to the dispersion auto-analysis write_results() method.

This is to output more of the dispersion parameters to text files and 2D 
grace plots.


Modified:
    branches/relax_disp/auto_analyses/relax_disp.py

Modified: branches/relax_disp/auto_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/auto_analyses/relax_disp.py?rev=19788&r1=19787&r2=19788&view=diff
==============================================================================
--- branches/relax_disp/auto_analyses/relax_disp.py (original)
+++ branches/relax_disp/auto_analyses/relax_disp.py Thu May 30 13:15:16 2013
@@ -221,31 +221,29 @@
         # Save the results.
         self.interpreter.results.write(file='results', dir=path, force=True)
 
-        # Save the relaxation dispersion parameters.
+        # Exponential curves.
+        if cdp.model == MODEL_R2EFF and  cdp.exp_type not in FIXED_TIME_EXP:
+            
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).
+
+        # Dispersion curves.
+        self.interpreter.relax_disp.plot_disp_curves(dir=path, force=True)
+
+        # The R2eff parameter.
+        if cdp.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 cdp.model == MODEL_R2EFF:
+            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)
+
+        # The Phi_ex parameter.
         if cdp.model in [MODEL_LM63]:
             self.interpreter.value.write(param='phi_ex', file='phi_ex.out', 
dir=path, force=True)
-
-        # Create Grace plots of the data for the R2eff model.
-        if cdp.model == MODEL_R2EFF:
-            # Residue number verses R2eff/R1rho.
-            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='r2eff', file='R2eff.agr', dir=path, force=True)
-
-            # Residue number verses the initial peak intensity.
-            if cdp.exp_type not in FIXED_TIME_EXP:
-                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)
-
-            # Exponential curves.
-            if cdp.exp_type not in FIXED_TIME_EXP:
-                
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).
-
-        # Grace plots of dispersion parameters.
-        if cdp.model in [MODEL_LM63]:
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='phi_ex', file='phi_ex.agr', dir=path, force=True)
 
-        # Plots of the minimisation statistics.
+        # Minimisation statistics.
         if not (cdp.model == MODEL_R2EFF and cdp.exp_type in FIXED_TIME_EXP):
             self.interpreter.grace.write(y_data_type='chi2', 
file='chi2.agr', dir=path, force=True)