Yep, not having a diffusion tensor would cause problems at that point. I should have noticed that one when reading https://mail.gna.org/public/relax-commits/2006-04/msg00022.html. Edward On 4/7/06, c.a.macraild@xxxxxxxxxxx <c.a.macraild@xxxxxxxxxxx> wrote:
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': _______________________________________________ relax (http://nmr-relax.com) This is the relax-commits mailing list relax-commits@xxxxxxx To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits