r2451 - /1.2/generic_fns/minimise.py -- April 06, 2006 - 17:52

Author: macraild
Date: Thu Apr  6 17:52:27 2006
New Revision: 2451

URL: http://svn.gna.org/viewcvs/relax?rev=2451&view=rev
Log:
Fix for bug introduced in r2450. overfit_deselect() evaluated
self.relax.data.diff[run], and this raised a KeyError in the event the
run was of the local_tm modelfree type.

Modified:
    1.2/generic_fns/minimise.py

Modified: 1.2/generic_fns/minimise.py
URL: 
http://svn.gna.org/viewcvs/relax/1.2/generic_fns/minimise.py?rev=2451&r1=2450&r2=2451&view=diff
==============================================================================
--- 1.2/generic_fns/minimise.py (original)
+++ 1.2/generic_fns/minimise.py Thu Apr  6 17:52:27 2006
@@ -163,10 +163,11 @@
                         continue
 
                 # Test for structural data if required
-                if self.relax.data.diff[run].type == 'spheroid' or 
self.relax.data.diff[run].type == 'ellipsoid':
-                    if not hasattr(residue, 'xh_vect'):
-                        residue.select = 0
-                        continue
+                if hasattr(self.relax.data, 'diff') and 
self.relax.data.diff.has_key(run):
+                    if self.relax.data.diff[run].type == 'spheroid' or 
self.relax.data.diff[run].type == 'ellipsoid':
+                        if not hasattr(residue, 'xh_vect'):
+                            residue.select = 0
+                            continue
 
             # Check for sufficient data for jw
             if run_type == 'jw':