r18598 - in /branches/frame_order_testing: auto_analyses/ maths_fns/frame_order/ specific_fns/ user_functions/ -- March 02, 2013 - 20:25

Author: bugman
Date: Sat Mar  2 20:24:59 2013
New Revision: 18598

URL: http://svn.gna.org/viewcvs/relax?rev=18598&view=rev
Log:
Initial attempt at allowing the average domain position to translate in the 
frame order analysis.

Previously only the domain orientation was optimised around a distant pivot 
point to achieve a
coupled translation and rotation.  This was, however, an artifact of history 
from when only RDCs
were being used in the analysis.  It should be possible to optimise both the 
translation and
orientation (independent of the pivot) of the moving domain.

For this, the frame_order.ave_pos_translation has been added to allow the 
translation optimisation
to be toggled.  The parameters 'ave_pos_x', 'ave_pos_y' and 'ave_pos_z' have 
been added to the
model.  The analysis specific code, auto-analysis, and target function code 
have been modified to
allow optimisation.  However there are some issues and the translation 
optimisation does not work.
But the original code paths do function.


Modified:
    branches/frame_order_testing/auto_analyses/frame_order.py
    branches/frame_order_testing/maths_fns/frame_order/__init__.py
    branches/frame_order_testing/specific_fns/frame_order.py
    branches/frame_order_testing/user_functions/frame_order.py

[This mail would be too long, it was shortened to contain the URLs only.]

Modified: branches/frame_order_testing/auto_analyses/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/auto_analyses/frame_order.py?rev=18598&r1=18597&r2=18598&view=diff

Modified: branches/frame_order_testing/maths_fns/frame_order/__init__.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order/__init__.py?rev=18598&r1=18597&r2=18598&view=diff

Modified: branches/frame_order_testing/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/specific_fns/frame_order.py?rev=18598&r1=18597&r2=18598&view=diff

Modified: branches/frame_order_testing/user_functions/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/user_functions/frame_order.py?rev=18598&r1=18597&r2=18598&view=diff