mailr24958 - /branches/R1_fitting/auto_analyses/relax_disp.py


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Posted by tlinnet on August 05, 2014 - 13:52:
Author: tlinnet
Date: Tue Aug  5 13:52:39 2014
New Revision: 24958

URL: http://svn.gna.org/viewcvs/relax?rev=24958&view=rev
Log:
Moved the auto_analyses plot of special R1rho graphs into the check of 
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=24958&r1=24957&r2=24958&view=diff
==============================================================================
--- branches/R1_fitting/auto_analyses/relax_disp.py     (original)
+++ branches/R1_fitting/auto_analyses/relax_disp.py     Tue Aug  5 13:52:39 
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_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 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_W_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()
 
 
@@ -584,12 +584,6 @@
         self.interpreter.relax_disp.plot_disp_curves(dir=path, force=True)
         self.interpreter.relax_disp.write_disp_curves(dir=path, force=True)
 
-        # Plot specific R1rho graphs.
-        if has_r1rho_exp_type() and model in [None] + MODEL_LIST_R1RHO_FULL:
-            self.interpreter.relax_disp.plot_disp_curves(dir=path, 
x_axis=X_AXIS_THETA, force=True)
-            self.interpreter.relax_disp.plot_disp_curves(dir=path, 
y_axis=Y_AXIS_R2_R1RHO, x_axis=X_AXIS_W_EFF, force=True)
-            self.interpreter.relax_disp.plot_disp_curves(dir=path, 
y_axis=Y_AXIS_R2_EFF, x_axis=X_AXIS_THETA, interpolate=INTERPOLATE_OFFSET, 
force=True)
-
         # The selected models for the final run.
         if model == None:
             self.interpreter.value.write(param='model', file='model.out', 
dir=path, force=True)
@@ -625,8 +619,14 @@
             # The R1rho prime parameter.
             self.write_results_test(path=path, model=model, 
models_tested=models_tested, param='r2', file_name_ini='r1rho_prime')
 
+            # Plot specific R1rho graphs.
+            if model in [None] + MODEL_LIST_R1RHO_W_R1 + 
MODEL_LIST_R1RHO_FIT_R1:
+                self.interpreter.relax_disp.plot_disp_curves(dir=path, 
x_axis=X_AXIS_THETA, force=True)
+                self.interpreter.relax_disp.plot_disp_curves(dir=path, 
y_axis=Y_AXIS_R2_R1RHO, x_axis=X_AXIS_W_EFF, force=True)
+                self.interpreter.relax_disp.plot_disp_curves(dir=path, 
y_axis=Y_AXIS_R2_EFF, x_axis=X_AXIS_THETA, interpolate=INTERPOLATE_OFFSET, 
force=True)
+
             # The calculation of theta and w_eff parameter in R1rho 
experiments.
-            if model in MODEL_LIST_R1RHO and has_r1rho_exp_type():
+            if model in MODEL_LIST_R1RHO_FULL:
                 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)
 




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