r21703 - /trunk/auto_analyses/relax_disp.py -- November 29, 2013 - 10:28

Author: bugman
Date: Fri Nov 29 10:28:16 2013
New Revision: 21703

URL: http://svn.gna.org/viewcvs/relax?rev=21703&view=rev
Log:
Added sectioning printouts for the relaxation dispersion auto-analysis.

This simply tells the user which part of the protocol is currently being 
performed.


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=21703&r1=21702&r2=21703&view=diff
==============================================================================
--- trunk/auto_analyses/relax_disp.py (original)
+++ trunk/auto_analyses/relax_disp.py Fri Nov 29 10:28:16 2013
@@ -30,7 +30,7 @@
 
 # relax module imports.
 from lib.list import unique_elements
-from lib.text.sectioning import title, subtitle
+from lib.text.sectioning import section, subsection, subtitle, title
 from lib.warnings import RelaxWarning
 from pipe_control.mol_res_spin import return_spin, spin_loop
 from pipe_control.pipes import has_pipe
@@ -142,6 +142,9 @@
     def check_vars(self):
         """Check that the user has set the variables correctly."""
 
+        # Printout.
+        section(file=sys.stdout, text="Variable checking", prespace=2)
+
         # The pipe name.
         if not has_pipe(self.pipe_name):
             raise RelaxNoPipeError(self.pipe_name)
@@ -163,9 +166,15 @@
                 if model in MODEL_LIST_ANALYTIC:
                     warn(RelaxWarning("The analytic model '%s' will be 
optimised but will not be used in any way in this numeric model only 
auto-analysis." % model))
 
+        # Printout.
+        print("The dispersion auto-analysis variables are OK.")
+
 
     def error_analysis(self):
         """Perform an error analysis of the peak intensities for each field 
strength separately."""
+
+        # Printout.
+        section(file=sys.stdout, text="Error analysis", prespace=2)
 
         # Check if intensity errors have already been calculated by the user.
         precalc = True
@@ -215,6 +224,9 @@
         @return:        True if the model is the more complex model in a 
nested pair and the parameters of the simpler model have been copied.  False 
otherwise.
         @rtype:         bool
         """
+
+        # Printout. 
+        subsection(file=sys.stdout, text="Nesting and model equivalence 
checks", prespace=1)
 
         # The simpler model.
         nested_pipe = None
@@ -239,6 +251,7 @@
 
         # No nesting.
         if not nested_pipe:
+            print("No model nesting or model equivalence detected.")
             return False
 
         # Printout.
@@ -278,6 +291,9 @@
         @keyword model: The model to be optimised.
         @type model:    str
         """
+
+        # Printout. 
+        section(file=sys.stdout, text="Optimisation", prespace=2)
 
         # Deselect insignificant spins.
         if model not in ['R2eff', 'No Rex']:
@@ -319,6 +335,9 @@
         @type model:    str
         """
 
+        # Printout.
+        subsection(file=sys.stdout, text="Pre-run parameters", prespace=1)
+
         # Create a temporary data pipe for the previous run.
         self.interpreter.pipe.create(pipe_name='pre', pipe_type='relax_disp')
 
@@ -397,6 +416,9 @@
 
         # The final model selection data pipe.
         if len(self.models) >= 2:
+            # Printout.
+            section(file=sys.stdout, text="Final results", prespace=2)
+
             # Perform model selection.
             self.interpreter.model_selection(method=self.modsel, 
modsel_pipe='final', bundle=self.pipe_bundle, pipes=self.model_pipes)
 
@@ -427,6 +449,9 @@
         @type path:     str
         """
 
+        # Printout.
+        section(file=sys.stdout, text="Results writing", prespace=2)
+
         # Exponential curves.
         if model == 'R2eff' and has_exponential_exp_type():
             
self.interpreter.relax_disp.plot_exp_curves(file='intensities.agr', dir=path, 
force=True)    # Average peak intensities.