mailr24959 - /branches/R1_fitting/auto_analyses/relax_disp.py


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

Header


Content

Posted by tlinnet on August 05, 2014 - 13:52:
Author: tlinnet
Date: Tue Aug  5 13:52:40 2014
New Revision: 24959

URL: http://svn.gna.org/viewcvs/relax?rev=24959&view=rev
Log:
Moved the auto analyses plotting and writing of r2, r2a and r2b for CPMG 
models into test of has_cpmg_exp_type().

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=24959&r1=24958&r2=24959&view=diff
==============================================================================
--- branches/R1_fitting/auto_analyses/relax_disp.py     (original)
+++ branches/R1_fitting/auto_analyses/relax_disp.py     Tue Aug  5 13:52:40 
2014
@@ -598,18 +598,14 @@
             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 R20 parameter.
-        if has_cpmg_exp_type() and model in [None, MODEL_LM63, MODEL_B14, 
MODEL_CR72, MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_MMQ_CR72, 
MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, 
MODEL_NS_MMQ_3SITE_LINEAR]:
-            self.interpreter.value.write(param='r2', file='r20.out', 
dir=path, force=True)
-            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='r2', file='r20.agr', dir=path, force=True)
-
-        # The R20A and R20B parameters.
-        if has_cpmg_exp_type() and model in [None, MODEL_B14_FULL, 
MODEL_CR72_FULL, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR_FULL]:
-            self.interpreter.value.write(param='r2a', file='r20a.out', 
dir=path, force=True)
-            self.interpreter.value.write(param='r2b', file='r20b.out', 
dir=path, force=True)
-            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='r2a', file='r20a.agr', dir=path, force=True)
-            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='r2b', file='r20b.agr', dir=path, force=True)
+        # For CPMG models.
+        if has_cpmg_exp_type():
+            # The R20 parameter.
+            self.write_results_test(path=path, model=model, 
models_tested=models_tested, param='r2', file_name_ini='r20')
+
+            # The R20A and R20B parameters.
+            self.write_results_test(path=path, model=model, 
models_tested=models_tested, param='r2a', file_name_ini='r20a')
+            self.write_results_test(path=path, model=model, 
models_tested=models_tested, param='r2b', file_name_ini='r20b')
 
         # For R1ho models.
         if has_r1rho_exp_type():




Related Messages


Powered by MHonArc, Updated Tue Aug 05 14:00:02 2014