mailr15258 - /1.3/specific_fns/model_free/main.py


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Posted by edward on January 26, 2012 - 11:24:
Author: bugman
Date: Thu Jan 26 11:24:42 2012
New Revision: 15258

URL: http://svn.gna.org/viewcvs/relax?rev=15258&view=rev
Log:
Bug fix for the model-free analysis for when relaxation data of None is 
encountered.

This matches the changes of r15247 for the J(w) mapping analysis.  This bug 
would rarely be
encountered.


Modified:
    1.3/specific_fns/model_free/main.py

Modified: 1.3/specific_fns/model_free/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/main.py?rev=15258&r1=15257&r2=15258&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Thu Jan 26 11:24:42 2012
@@ -2045,18 +2045,25 @@
             if not spin.select:
                 continue
 
+            # The number of relaxation data points.
+            data_points = 0
+            if hasattr(cdp, 'ri_ids') and hasattr(spin, 'ri_data'):
+                for id in cdp.ri_ids:
+                    if spin.ri_data.has_key(id) and spin.ri_data[id] != None:
+                        data_points += 1
+
             # Relaxation data must exist!
             if not hasattr(spin, 'ri_data'):
                 warn(RelaxDeselectWarning(spin_id, 'missing relaxation 
data'))
                 spin.select = False
 
             # Require 3 or more relaxation data points.
-            elif len(spin.ri_data) < 3:
+            elif data_points < 3:
                 warn(RelaxDeselectWarning(spin_id, 'insufficient relaxation 
data, 3 or more data points are required'))
                 spin.select = False
 
             # Require at least as many data points as params to prevent 
over-fitting.
-            elif hasattr(spin, 'params') and spin.params and 
len(spin.params) > len(spin.ri_data):
+            elif hasattr(spin, 'params') and spin.params and 
len(spin.params) > data_points:
                 warn(RelaxDeselectWarning(spin_id, 'over-fitting - more 
parameters than data points'))
                 spin.select = False
 




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