r25057 - /trunk/auto_analyses/relax_disp.py -- August 18, 2014 - 18:48

Author: tlinnet
Date: Mon Aug 18 18:48:33 2014
New Revision: 25057

URL: http://svn.gna.org/viewcvs/relax?rev=25057&view=rev
Log:
Removed the auto-sorting of models, when performing auto analysis of 
Relaxation dispersion.

This was discussed in:
http://thread.gmane.org/gmane.science.nmr.relax.scm/22733
http://thread.gmane.org/gmane.science.nmr.relax.scm/22734
http://thread.gmane.org/gmane.science.nmr.relax.scm/22737

Through this discussion, it has appeared that the order of how models are 
sorted for analysis, and hence the
possibility for nesting, is a complicated case.

The order of analysis should be possible to manually put into the auto 
analysis.

This was not the scope of:
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation 
rate for the off-resonance R1rho relaxation dispersion models.
to implement such a feature.

Such a feature could be implemented for the next version of relax.

It could be designed as function to "suggest" an order in the GUI.

But this functionality would have to wait.

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=25057&r1=25056&r2=25057&view=diff
==============================================================================
--- trunk/auto_analyses/relax_disp.py   (original)
+++ trunk/auto_analyses/relax_disp.py   Mon Aug 18 18:48:33 2014
@@ -39,7 +39,7 @@
 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.model import nesting_model, sort_models
+from specific_analyses.relax_disp.model import nesting_model
 from specific_analyses.relax_disp.variables import EQ_ANALYTIC, EQ_NUMERIC, 
EQ_SILICO, MODEL_LIST_ANALYTIC, MODEL_LIST_NEST, MODEL_LIST_NUMERIC, 
MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_W_R1, MODEL_LIST_R1RHO_FULL, 
MODEL_NOREX, MODEL_NOREX_R1RHO, MODEL_NOREX_R1RHO_FIT_R1, MODEL_PARAMS, 
MODEL_R2EFF, PARAMS_R20
 from status import Status; status = Status()
 
@@ -100,6 +100,7 @@
         self.pipe_name = pipe_name
         self.pipe_bundle = pipe_bundle
         self.results_dir = results_dir
+        self.models = models
         self.grid_inc = grid_inc
         self.mc_sim_num = mc_sim_num
         self.exp_mc_sim_num = exp_mc_sim_num
@@ -111,25 +112,6 @@
         self.numeric_only = numeric_only
         self.mc_sim_all_models = mc_sim_all_models
         self.eliminate = eliminate
-
-        # Sort the models for analyses.
-        sorted_models = sort_models(models=models)
-        if sorted_models != models:
-            # Printout.
-            subsection(file=sys.stdout, text="Sorting models for optimal 
nesting of models.", prespace=1)
-            print("Models are are sorted in order:")
-            print(" - exp_type: EXP_TYPE_R2EFF, EXP_TYPE_NOREX, 
EXP_TYPE_NOREX_R1RHO, EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_MMQ, EXP_TYPE_R1RHO")
-            print(" - equation: %s, %s, %s" % (EQ_SILICO, EQ_ANALYTIC, 
EQ_NUMERIC))
-            print(" - Nr of chemical sites: 2 or 3")
-            print(" - Year: Newest models first.")
-            print("-  Nr of params:")
-            print("\nPrevious model order: %s" % (models))
-            print("\nNew model order: %s" % (sorted_models))
-
-            # Store the new order of models.
-            self.models = sorted_models
-        else:
-            self.models = models
 
         # No results directory, so default to the current directory.
         if not self.results_dir: