r24955 - /branches/R1_fitting/auto_analyses/relax_disp.py -- August 05, 2014 - 13:52

Author: tlinnet
Date: Tue Aug  5 13:52:33 2014
New Revision: 24955

URL: http://svn.gna.org/viewcvs/relax?rev=24955&view=rev
Log:
Moved the auto analyses writing out of w_eff and theta into check for 
has_r1rho_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=24955&r1=24954&r2=24955&view=diff
==============================================================================
--- branches/R1_fitting/auto_analyses/relax_disp.py     (original)
+++ branches/R1_fitting/auto_analyses/relax_disp.py     Tue Aug  5 13:52:33 
2014
@@ -604,10 +604,6 @@
             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 calculation of theta and w_eff parameter in R1rho experiments.
-        if model in MODEL_LIST_R1RHO_FULL and has_r1rho_exp_type():
-            self.interpreter.value.write(param='theta', file='theta.out', 
dir=path, force=True)
-            self.interpreter.value.write(param='w_eff', file='w_eff.out', 
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]:
@@ -628,6 +624,11 @@
 
             # The R1rho prime parameter.
             self.write_results_test(path=path, model=model, 
models_tested=models_tested, param='r2', file_name_ini='r1rho_prime')
+
+            # The calculation of theta and w_eff parameter in R1rho 
experiments.
+            if model in MODEL_LIST_R1RHO and has_r1rho_exp_type():
+                self.interpreter.value.write(param='theta', 
file='theta.out', dir=path, force=True)
+                self.interpreter.value.write(param='w_eff', 
file='w_eff.out', dir=path, force=True)
 
         # The pA and pB parameters.
         self.write_results_test(path=path, model=model, 
models_tested=models_tested, param='pA')