r22796 - /trunk/auto_analyses/relax_disp.py -- April 16, 2014 - 19:50

Author: bugman
Date: Wed Apr 16 19:50:29 2014
New Revision: 22796

URL: http://svn.gna.org/viewcvs/relax?rev=22796&view=rev
Log:
The relaxation dispersion auto-analysis now outputs the R20, R20A, R20B, and 
R1rho0 parameters.

This includes both text files and 2D Grace plots.


Modified:
    trunk/auto_analyses/relax_disp.py

Modified: trunk/auto_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/relax_disp.py?rev=22796&r1=22795&r2=22796&view=diff
==============================================================================
--- trunk/auto_analyses/relax_disp.py   (original)
+++ trunk/auto_analyses/relax_disp.py   Wed Apr 16 19:50:29 2014
@@ -546,22 +546,22 @@
             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_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_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)
-
-        ## The R1rho parameter.
-        #if has_r1rho_exp_type() and 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 R20 parameter.
+        if has_cpmg_exp_type() and model in [None, MODEL_LM63, 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_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)
+
+        # The R1rho0 parameter.
+        if has_r1rho_exp_type() and 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 pA, pB, and pC parameters.
         if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, 
MODEL_M61B, MODEL_MMQ_CR72, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_MMQ_2SITE, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, 
MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_TP02, MODEL_TAP03, MODEL_MP05, 
MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR]: