mailr6192 - /1.3/specific_fns/relax_fit.py


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Posted by edward on May 21, 2008 - 21:40:
Author: bugman
Date: Wed May 21 21:40:48 2008
New Revision: 6192

URL: http://svn.gna.org/viewcvs/relax?rev=6192&view=rev
Log:
Updated the overfit_deselect() method to the new design.


Modified:
    1.3/specific_fns/relax_fit.py

Modified: 1.3/specific_fns/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/relax_fit.py?rev=6192&r1=6191&r2=6192&view=diff
==============================================================================
--- 1.3/specific_fns/relax_fit.py (original)
+++ 1.3/specific_fns/relax_fit.py Wed May 21 21:40:48 2008
@@ -812,24 +812,23 @@
             spin.params = params
 
 
-    def overfit_deselect(self, run):
-        """Function for deselecting residues without sufficient data to 
support minimisation"""
-
-        # Test the sequence data exists:
-        if not relax_data_store.res.has_key(run):
-            raise RelaxNoSequenceError, run
-
-        # Loop over residue data:
-        for residue in relax_data_store.res[run]:
-
-            # Check for sufficient data
-            if not hasattr(residue, 'intensities'):
-                residue.select = 0
+    def overfit_deselect(self):
+        """Deselect spins which have insufficient data to support 
minimisation."""
+
+        # Test the sequence data exists.
+        if not exists_mol_res_spin_data():
+            raise RelaxNoSequenceError
+
+        # Loop over spin data.
+        for spin in spin_loop():
+            # Check if data exists.
+            if not hasattr(spin, 'intensities'):
+                spin.select = 0
                 continue
 
-            # Require 3 or more data points
-            if len(residue.intensities) < 3:
-                residue.select = 0
+            # Require 3 or more data points.
+            if len(spin.intensities) < 3:
+                spin.select = 0
                 continue
 
 




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