r24941 - /branches/R1_fitting/auto_analyses/relax_disp.py -- August 04, 2014 - 19:22

Author: tlinnet
Date: Mon Aug  4 19:22:01 2014
New Revision: 24941

URL: http://svn.gna.org/viewcvs/relax?rev=24941&view=rev
Log:
Added to relax_disp auto_analyses, that R1_fit should be plotted and written 
out.

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=24941&r1=24940&r2=24941&view=diff
==============================================================================
--- branches/R1_fitting/auto_analyses/relax_disp.py     (original)
+++ branches/R1_fitting/auto_analyses/relax_disp.py     Mon Aug  4 19:22:01 
2014
@@ -38,7 +38,7 @@
 from prompt.interpreter import Interpreter
 from specific_analyses.relax_disp.data import has_exponential_exp_type, 
has_cpmg_exp_type, has_fixed_time_exp_type, has_r1rho_exp_type, loop_frq
 from specific_analyses.relax_disp.data import INTERPOLATE_DISP, 
INTERPOLATE_OFFSET, X_AXIS_DISP, X_AXIS_W_EFF, X_AXIS_THETA, Y_AXIS_R2_R1RHO, 
Y_AXIS_R2_EFF
-from specific_analyses.relax_disp.variables import MODEL_B14, 
MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, 
MODEL_LIST_ANALYTIC, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, 
MODEL_LIST_R1RHO_FULL, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, 
MODEL_MP05, MODEL_MMQ_CR72, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_MMQ_2SITE, 
MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, 
MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAMS, MODEL_R2EFF, 
MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01, PARAMS_R20
+from specific_analyses.relax_disp.variables import MODEL_B14, 
MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, 
MODEL_LIST_ANALYTIC, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, 
MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_FULL, MODEL_LM63, MODEL_LM63_3SITE, 
MODEL_M61, MODEL_M61B, MODEL_MP05, MODEL_MMQ_CR72, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_MMQ_2SITE, 
MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, 
MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAMS, MODEL_R2EFF, 
MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01, PARAMS_R20
 from status import Status; status = Status()
 
 
@@ -614,6 +614,11 @@
             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 R1_fit parameter.
+        if has_r1rho_exp_type() and model in [None] + 
MODEL_LIST_R1RHO_FIT_R1:
+            self.interpreter.value.write(param='r1_fit', file='r1_fit.out', 
dir=path, force=True)
+            self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='r1_fit', file='r1_fit.agr', dir=path, force=True)
+
         # The pA, pB, and pC parameters.
         if model in [None, MODEL_B14, MODEL_B14_FULL, 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]:
             self.interpreter.value.write(param='pA', file='pA.out', 
dir=path, force=True)