r24998 - /branches/R1_fitting/auto_analyses/relax_disp.py -- August 12, 2014 - 11:28

Author: tlinnet
Date: Tue Aug 12 11:28:49 2014
New Revision: 24998

URL: http://svn.gna.org/viewcvs/relax?rev=24998&view=rev
Log:
Implemented the sorting of models, for auto analyses.

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=24998&r1=24997&r2=24998&view=diff
==============================================================================
--- branches/R1_fitting/auto_analyses/relax_disp.py     (original)
+++ branches/R1_fitting/auto_analyses/relax_disp.py     Tue Aug 12 11:28:49 
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 nesting_model
+from specific_analyses.relax_disp.variables import nesting_model, sort_models
 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()
 
@@ -98,7 +98,6 @@
         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
@@ -109,6 +108,26 @@
         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: