Author: bugman
Date: Thu Oct 23 16:19:39 2014
New Revision: 26391
URL: http://svn.gna.org/viewcvs/relax?rev=26391&view=rev
Log:
The minimise.execute user function skip_preset flag is now False in the frame
order auto-analysis.
This is for the main model optimisation. Without this flag set, the grid
search for the pivot point
position for the rotor model was being skipped at the first zoom level.
Modified:
branches/frame_order_cleanup/auto_analyses/frame_order.py
Modified: branches/frame_order_cleanup/auto_analyses/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/auto_analyses/frame_order.py?rev=26391&r1=26390&r2=26391&view=diff
==============================================================================
--- branches/frame_order_cleanup/auto_analyses/frame_order.py (original)
+++ branches/frame_order_cleanup/auto_analyses/frame_order.py Thu Oct 23
16:19:39 2014
@@ -1030,7 +1030,7 @@
intermediate_dir += '_sobol%i' % sobol_num[0]
# Perform the grid search.
- self.interpreter.minimise.grid_search(inc=incs)
+ self.interpreter.minimise.grid_search(inc=incs, skip_preset=False)
# Store the intermediate results and statistics.
if self.store_intermediate:
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