mailr24954 - /branches/R1_fitting/auto_analyses/relax_disp.py


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Posted by tlinnet on August 05, 2014 - 13:52:
Author: tlinnet
Date: Tue Aug  5 13:52:31 2014
New Revision: 24954

URL: http://svn.gna.org/viewcvs/relax?rev=24954&view=rev
Log:
Extended the writing and checking of parameters, to use different file name, 
than the parameter name.

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=24954&r1=24953&r2=24954&view=diff
==============================================================================
--- branches/R1_fitting/auto_analyses/relax_disp.py     (original)
+++ branches/R1_fitting/auto_analyses/relax_disp.py     Tue Aug  5 13:52:31 
2014
@@ -626,10 +626,8 @@
             # The R1_fit parameter.
             self.write_results_test(path=path, model=model, 
models_tested=models_tested, param='r1_fit')
 
-            # The R1rho0 parameter.
-            if model in [None] + MODEL_LIST_R1RHO:
-                self.interpreter.value.write(param='r2', file='r1rho0.out', 
dir=path, force=True)
-                self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='r2', file='r1rho0.agr', dir=path, force=True)
+            # The R1rho prime parameter.
+            self.write_results_test(path=path, model=model, 
models_tested=models_tested, param='r2', file_name_ini='r1rho_prime')
 
         # The pA and pB parameters.
         self.write_results_test(path=path, model=model, 
models_tested=models_tested, param='pA')
@@ -684,7 +682,7 @@
         self.interpreter.results.write(file='results', dir=path, force=True)
 
 
-    def write_results_test(self, path=None, model=None, models_tested=None, 
param=None):
+    def write_results_test(self, path=None, model=None, models_tested=None, 
param=None, file_name_ini=None):
         """Create a set of results, text and Grace files for the current 
data pipe.
 
         @keyword path:              The directory to place the files into.
@@ -695,7 +693,13 @@
         @type model_tested:         None or list of str.
         @keyword param:             The param to write out.
         @type param:                None or list of str.
+        @keyword file_name_ini:     The initial part of the file name for 
the grace and text files.
+        @type file_name_ini:        None or str.
         """
+
+        # If not set, use the name of the parameter.
+        if file_name_ini == None:
+            file_name_ini = param
 
         # If the model is in the list of models which support the parameter.
         write_result = False
@@ -719,5 +723,5 @@
 
         # Write results if some of the models supports the parameter.
         if write_result:
-            self.interpreter.value.write(param=param, file='%s.out'%param, 
dir=path, force=True)
-            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type=param, file='%s.agr'%param, dir=path, force=True)
+            self.interpreter.value.write(param=param, 
file='%s.out'%file_name_ini, dir=path, force=True)
+            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type=param, file='%s.agr'%file_name_ini, dir=path, force=True)




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