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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