r6762 - /1.3/specific_fns/model_free/main.py -- July 05, 2008 - 19:03

Author: bugman
Date: Sat Jul  5 19:03:36 2008
New Revision: 6762

URL: http://svn.gna.org/viewcvs/relax?rev=6762&view=rev
Log:
Fixes for the overfit_deselect() method.

The diffusion tensor object is now correctly referenced and the params 
variable can be None.


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=6762&r1=6761&r2=6762&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Sat Jul  5 19:03:36 2008
@@ -1712,9 +1712,9 @@
 
 
     def overfit_deselect(self):
-        """Function for deselecting residues without sufficient data to 
support minimisation"""
-
-        # Test sequence data exists.
+        """Deselect spins which have insufficient data to support 
minimisation."""
+
+        # Test if sequence data exists.
         if not exists_mol_res_spin_data():
             raise RelaxNoSequenceError
 
@@ -1723,7 +1723,7 @@
 
         # Is structural data required?
         need_vect = False
-        if hasattr(cdp, 'diff') and (cdp.diff_tensor.type == 'spheroid' or 
cdp.diff_tensor.type == 'ellipsoid'):
+        if hasattr(cdp, 'diff_tensor') and (cdp.diff_tensor.type == 
'spheroid' or cdp.diff_tensor.type == 'ellipsoid'):
             need_vect = True
 
         # Loop over the sequence.
@@ -1737,7 +1737,7 @@
                 spin.select = False
 
             # Require at least as many data points as params to prevent 
over-fitting.
-            elif hasattr(spin, 'params') and len(spin.params) > 
len(spin.relax_data):
+            elif hasattr(spin, 'params') and spin.params and 
len(spin.params) > len(spin.relax_data):
                 spin.select = False
 
             # Test for structural data if required.