r22088 - /trunk/specific_analyses/noe/main.py -- January 31, 2014 - 10:42

Author: bugman
Date: Fri Jan 31 10:42:52 2014
New Revision: 22088

URL: http://svn.gna.org/viewcvs/relax?rev=22088&view=rev
Log:
Fix for bug #21562, the failure of the NOE analysis when spectra are 
replicated.

This bug (https://gna.org/bugs/?21562) was reported by Dhanas Muthu 
(https://gna.org/users/dhanas).

The problem was that the NOE overfit_deselect() method was deselecting all 
spins which do not have
exactly 2 intensity values.  This is incompatible with replicated spectra as 
the number will be
greater than two.  The check has been modified to deselect spins only when 
the number of intensity
values are zero or one (i.e. < 2 rather than != 2).


Modified:
    trunk/specific_analyses/noe/main.py

Modified: trunk/specific_analyses/noe/main.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/noe/main.py?rev=22088&r1=22087&r2=22088&view=diff
==============================================================================
--- trunk/specific_analyses/noe/main.py (original)
+++ trunk/specific_analyses/noe/main.py Fri Jan 31 10:42:52 2014
@@ -166,14 +166,14 @@
                 continue
 
             # Check for sufficient data.
-            if not hasattr(spin, 'intensities') or not len(spin.intensities) 
== 2:
+            if not hasattr(spin, 'intensities') or not len(spin.intensities) 
> 2:
                 warn(RelaxDeselectWarning(spin_id, 'insufficient data'))
                 spin.select = False
                 deselect_flag = True
                 continue
 
             # Check for sufficient errors.
-            elif not hasattr(spin, 'intensity_err') or not 
len(spin.intensity_err) == 2:
+            elif not hasattr(spin, 'intensity_err') or not 
len(spin.intensity_err) > 2:
                 warn(RelaxDeselectWarning(spin_id, 'missing errors'))
                 spin.select = False
                 deselect_flag = True