Author: bugman
Date: Thu Oct 1 21:15:16 2015
New Revision: 27926
URL: http://svn.gna.org/viewcvs/relax?rev=27926&view=rev
Log:
Merged revisions 23616-23622 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_cleanup
........
r23616 | bugman | 2014-06-03 11:16:38 +0200 (Tue, 03 Jun 2014) | 6 lines
Created a new CaM frame order test data set.
This is for the rotor model with a very small torsion angle of 1 degree,
and will be used as a
comparison to the rigid model and for testing the performance of the rotor
model for an edge case.
........
r23617 | bugman | 2014-06-03 11:18:44 +0200 (Tue, 03 Jun 2014) | 7 lines
Updated the frame order representations in all of the frame_order.py
scripts for the CaM test data.
All PDB files are now gzipped to save space, the old pymol.cone_pdb user
function calls replaced
with pymol.frame_order, and an average domain PDB file for the exact
solution is now created in all
cases.
........
r23618 | bugman | 2014-06-03 11:20:51 +0200 (Tue, 03 Jun 2014) | 3 lines
The minimisation constraints are now turned on for all CaM test data
frame_order.py optimisation scripts.
........
r23619 | bugman | 2014-06-03 11:24:59 +0200 (Tue, 03 Jun 2014) | 6 lines
Updated the rotor CaM test data frame_order.py script for the parameter
reduction.
The rotor axis {theta, phi} polar angles have been replaced by the single
axis alpha angle. This
now matches the script for the 2nd rotor model.
........
r23620 | bugman | 2014-06-03 11:26:59 +0200 (Tue, 03 Jun 2014) | 3 lines
Fix for a fatal typo in r23618.
........
r23621 | bugman | 2014-06-03 11:47:09 +0200 (Tue, 03 Jun 2014) | 7 lines
Updated the parameters in all of the frame_order.py scripts for the CaM
test data.
The parameters are now specified at the top of the script as variables.
All scripts now handle the
change to the translation + CoM rotation for the average domain position
rather than having a pure
rotation about a fixed pivot, which is no longer supported.
........
r23622 | bugman | 2014-06-03 11:49:00 +0200 (Tue, 03 Jun 2014) | 3 lines
Fix for a missing import in the isotropic cone CaM test data frame_order.py
scripts.
........
Added:
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/
- copied from r23622,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/
Modified:
trunk/ (props changed)
trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/rigid/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/rigid/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rigid/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py?rev=27926&r1=27925&r2=27926&view=diff
r27926 - in /trunk: ./ test_suite/shared_data/frame_order/cam/free_rotor/ test_suite/shared_data/frame_order/cam/free_rotor2...