r25919 - /branches/frame_order_cleanup/specific_analyses/frame_order/api.py -- September 19, 2014 - 12:04

Author: bugman
Date: Fri Sep 19 12:04:28 2014
New Revision: 25919

URL: http://svn.gna.org/viewcvs/relax?rev=25919&view=rev
Log:
Improvements for the frame order overfit_deselect() API method.

Three changes have been made:  The print statements have been converted to 
RelaxWarnings; the spin
IDs or spin ID pairs are now stored in a list and one RelaxWarning for the 
missing PCS data and one
for the missing RDC data is now given; and the verbose flag is now used to 
determine if a
RelaxWarning will be given.


Modified:
    branches/frame_order_cleanup/specific_analyses/frame_order/api.py

Modified: branches/frame_order_cleanup/specific_analyses/frame_order/api.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/api.py?rev=25919&r1=25918&r2=25919&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/api.py   
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/api.py   Fri 
Sep 19 12:04:28 2014
@@ -656,16 +656,22 @@
             return
 
         # Loop over spin data, checking for PCS data.
+        ids = []
         for spin, spin_id in spin_loop(return_id=True, skip_desel=True):
             if not hasattr(spin, 'pcs'):
-                print("No PCS data is present, deselecting the spin '%s'." % 
spin_id)
                 spin.select = False
+                ids.append(spin_id)
+        if verbose and len(ids):
+            warn(RelaxWarning("No PCS data is present, deselecting the spins 
%s." % ids))
 
         # Loop over the interatomic data containers, checking for RDC data.
+        ids = []
         for interatom in interatomic_loop(selection1=domain_moving()):
             if not hasattr(interatom, 'rdc'):
-                print("No RDC data is present, deselecting the interatomic 
data container between spins '%s' and '%s'." % (interatom.spin_id1, 
interatom.spin_id2))
                 interatom.select = False
+                ids.append("%s - %s" % (interatom.spin_id1, 
interatom.spin_id2))
+        if verbose and len(ids):
+            warn(RelaxWarning("No RDC data is present, deselecting the 
interatomic data containers between spin pairs %s." % ids)
 
 
     def return_error(self, data_id):