mailr21228 - /branches/relax_disp/specific_analyses/relax_disp/api.py


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Posted by edward on October 25, 2013 - 14:08:
Author: bugman
Date: Fri Oct 25 14:08:22 2013
New Revision: 21228

URL: http://svn.gna.org/viewcvs/relax?rev=21228&view=rev
Log:
Added printouts for the overfit_deselect() specific API method for the 
dispersion analysis.

This is to inform the user whenever spins are deselected and why.  This is to 
help avoid user
confusion.


Modified:
    branches/relax_disp/specific_analyses/relax_disp/api.py

Modified: branches/relax_disp/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/api.py?rev=21228&r1=21227&r2=21228&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/api.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/api.py Fri Oct 25 
14:08:22 2013
@@ -1131,14 +1131,16 @@
         check_mol_res_spin_data()
 
         # Loop over spin data.
-        for spin in spin_loop():
+        for spin, spin_id in spin_loop(return_id=True):
             # Check if data exists.
             if not hasattr(spin, 'intensities'):
+                print("No intensity data could be found, deselecting the 
'%s' spin." % spin_id)
                 spin.select = False
                 continue
 
             # Require 3 or more data points.
             if len(spin.intensities) < 3:
+                print("Only %s intensity points could be found but at least 
3 are required, deselecting the '%s' spin." % (len(spin.intensities), 
spin_id))
                 spin.select = False
                 continue
 




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