Author: michaelbieri
Date: Mon May 24 02:55:04 2010
New Revision: 11212
URL: http://svn.gna.org/viewcvs/relax?rev=11212&view=rev
Log:
Merged revisions 11206-11210 via svnmerge from
svn+ssh://michaelbieri@xxxxxxxxxxx/svn/relax/1.3
........
r11206 | bugman | 2010-05-19 18:49:53 +1000 (Wed, 19 May 2010) | 8 lines
Created the rdc.corr_plot() and pcs_corr_plot() user functions.
These are for creating correlation plots of measured vs. back-calculated
RDCs and PCSs.
A couple of N-state model methods (return_grace_string() and
return_units()) were added to allow the
user functions to work.
........
r11207 | bugman | 2010-05-19 19:31:30 +1000 (Wed, 19 May 2010) | 6 lines
Added a maximum global iteration arg and check into the
dauvergne_protocol.py module.
This was requested by Michael in the commit for r11194 at
https://mail.gna.org/public/relax-commits/2010-05/msg00022.html.
........
r11208 | bugman | 2010-05-20 17:24:42 +1000 (Thu, 20 May 2010) | 16 lines
Bug fix for catching the looping around the universal solution in the
dauvergne_protocol module.
This was first identified by Seb in the post at
https://mail.gna.org/public/relax-users/2007-09/msg00010.html (Message-id:
<46EEA6B2.90606@xxxxxxxxx>).
The problem was the automatic looping over optimisation cycles in the
full_analysis.py script. This
code is now in the dauvergne_protocol auto_analyses module. The issue was
a never-ending looping
around the universal solution (the optimisation minimum combined with
Occam's razor or the model
selection minimum). This should now be caught and the protocol terminated
at the end of the first
completed loop. The fix was to compare the chi2, selected models,
diffusion tensor, and model-free
parameters to every iteration, starting from the first. This will not be
optimal if the protocol is
interrupted in the middle of one such loop, but will just mean that a few
extra iterations will be
required to complete the loop.
........
r11209 | bugman | 2010-05-22 00:17:46 +1000 (Sat, 22 May 2010) | 3 lines
Modified the relax checklist to include minfx bundling.
........
r11210 | bugman | 2010-05-22 00:59:46 +1000 (Sat, 22 May 2010) | 3 lines
More updates to the release checklist.
........
Modified:
branches/bieri_gui/ (props changed)
branches/bieri_gui/auto_analyses/dauvergne_protocol.py
branches/bieri_gui/docs/Release_Checklist
branches/bieri_gui/generic_fns/pcs.py
branches/bieri_gui/generic_fns/rdc.py
branches/bieri_gui/prompt/pcs.py
branches/bieri_gui/prompt/rdc.py
branches/bieri_gui/specific_fns/n_state_model.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: branches/bieri_gui/auto_analyses/dauvergne_protocol.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/dauvergne_protocol.py?rev=11212&r1=11211&r2=11212&view=diff
Modified: branches/bieri_gui/docs/Release_Checklist
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/docs/Release_Checklist?rev=11212&r1=11211&r2=11212&view=diff
Modified: branches/bieri_gui/generic_fns/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/generic_fns/pcs.py?rev=11212&r1=11211&r2=11212&view=diff
Modified: branches/bieri_gui/generic_fns/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/generic_fns/rdc.py?rev=11212&r1=11211&r2=11212&view=diff
Modified: branches/bieri_gui/prompt/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/prompt/pcs.py?rev=11212&r1=11211&r2=11212&view=diff
Modified: branches/bieri_gui/prompt/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/prompt/rdc.py?rev=11212&r1=11211&r2=11212&view=diff
Modified: branches/bieri_gui/specific_fns/n_state_model.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/specific_fns/n_state_model.py?rev=11212&r1=11211&r2=11212&view=diff
r11212 - in /branches/bieri_gui: ./ auto_analyses/ docs/ generic_fns/ prompt/ specific_fns/