r20427 - /branches/relax_disp/auto_analyses/relax_disp.py -- July 20, 2013 - 15:49

Author: bugman
Date: Sat Jul 20 15:49:30 2013
New Revision: 20427

URL: http://svn.gna.org/viewcvs/relax?rev=20427&view=rev
Log:
The dispersion auto-analysis now outputs files for the kB, kC, phi_ex_B, and 
phi_ex_C parameters.

This is in the write_results() method and is for creating text files and 
Grace plots for the
'LM 3-site' model.


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=20427&r1=20426&r2=20427&view=diff
==============================================================================
--- branches/relax_disp/auto_analyses/relax_disp.py (original)
+++ branches/relax_disp/auto_analyses/relax_disp.py Sat Jul 20 15:49:30 2013
@@ -354,6 +354,13 @@
             self.interpreter.value.write(param='phi_ex', file='phi_ex.out', 
dir=path, force=True)
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='phi_ex', file='phi_ex.agr', dir=path, force=True)
 
+        # The Phi_ex_B nd Phi_ex_C parameters.
+        if model in [None, MODEL_LM63_3SITE]:
+            self.interpreter.value.write(param='phi_ex_B', 
file='phi_ex_B.out', dir=path, force=True)
+            self.interpreter.value.write(param='phi_ex_C', 
file='phi_ex_C.out', dir=path, force=True)
+            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='phi_ex_B', file='phi_ex_B.agr', dir=path, force=True)
+            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='phi_ex_C', file='phi_ex_C.agr', dir=path, force=True)
+
         # The padw2 parameter.
         if model in [None, MODEL_IT99]:
             self.interpreter.value.write(param='padw2', file='padw2.out', 
dir=path, force=True)
@@ -371,6 +378,13 @@
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='kex', file='kex.agr', dir=path, force=True)
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='tex', file='tex.agr', dir=path, force=True)
 
+        # The kB and kC parameters.
+        if model in [None, MODEL_LM63_3SITE]:
+            self.interpreter.value.write(param='kB', file='kB.out', 
dir=path, force=True)
+            self.interpreter.value.write(param='kC', file='kC.out', 
dir=path, force=True)
+            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='kB', file='kB.agr', dir=path, force=True)
+            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='kC', file='kC.agr', dir=path, force=True)
+
         # Minimisation statistics.
         if not (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)