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':
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Re: r2451 - /1.2/generic_fns/minimise.py