Author: bugman Date: Thu Oct 1 19:17:15 2015 New Revision: 27916 URL: http://svn.gna.org/viewcvs/relax?rev=27916&view=rev Log: Merged revisions 23199-23205 via svnmerge from svn+ssh://bug...@svn.gna.org/svn/relax/branches/frame_order_cleanup
........ r23199 | bugman | 2014-05-16 14:12:07 +0200 (Fri, 16 May 2014) | 7 lines Deletion of half of the frame order target functions. All of the target functions using Scipy quadratic integration (which cause a frame order analysis to take over 1,000,000 years to complete) have been deleted. The quasi-random target functions that replace these have been renamed to remove the '_qrint' ending. ........ r23200 | bugman | 2014-05-16 14:14:48 +0200 (Fri, 16 May 2014) | 5 lines Import cleanup for the frame order target functions. The Scipy quadratic integration functions for the PCS have been removed. ........ r23201 | bugman | 2014-05-16 14:20:39 +0200 (Fri, 16 May 2014) | 3 lines Alphabetical ordering of functions in the lib.frame_order.pseudo_ellipse module. ........ r23202 | bugman | 2014-05-16 14:31:11 +0200 (Fri, 16 May 2014) | 6 lines Deletion of all of the Scipy quadratic integration functions for the PCS in the relax library. These are no longer used, as they are far too slow. The quasi-random functions have long replaced these. ........ r23203 | bugman | 2014-05-16 14:36:40 +0200 (Fri, 16 May 2014) | 5 lines Eliminated all of the 'line' frame order models, as they are not implemented yet. This is just frontend code - the backend does not exist. ........ r23204 | bugman | 2014-05-16 15:39:36 +0200 (Fri, 16 May 2014) | 5 lines Updated the isotropic cone CaM frame order test model optimisation script. Due to all of the changes in the frame order analysis, the old script was no longer functional. ........ r23205 | bugman | 2014-05-16 15:55:40 +0200 (Fri, 16 May 2014) | 9 lines Created a script for the CaM frame order test models for finding the average domain position. As the rotation about a fixed pivot has been eliminated, the shift from 1J7P_1st_NH_rot.pdb to 1J7P_1st_NH.pdb has to be converted into a translation and rotation about the CoM. This script will be used to replace the pivot rotation Euler angles with the translation vector and CoM rotation Euler angles. However the structure.superimpose user function will need to be modified to handle both the standard centroid superimposition as well as a CoM superimposition. ........ Added: trunk/test_suite/shared_data/frame_order/cam/superimpose.py - copied unchanged from r23205, branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/superimpose.py Modified: trunk/ (props changed) trunk/lib/frame_order/iso_cone.py trunk/lib/frame_order/iso_cone_torsionless.py trunk/lib/frame_order/matrix_ops.py trunk/lib/frame_order/pseudo_ellipse.py trunk/lib/frame_order/pseudo_ellipse_torsionless.py trunk/lib/frame_order/rotor.py trunk/specific_analyses/frame_order/parameters.py trunk/specific_analyses/frame_order/uf.py trunk/target_functions/frame_order.py trunk/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py trunk/user_functions/frame_order.py [This mail would be too long, it was shortened to contain the URLs only.] Modified: trunk/lib/frame_order/iso_cone.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/iso_cone.py?rev=27916&r1=27915&r2=27916&view=diff Modified: trunk/lib/frame_order/iso_cone_torsionless.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/iso_cone_torsionless.py?rev=27916&r1=27915&r2=27916&view=diff Modified: trunk/lib/frame_order/matrix_ops.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/matrix_ops.py?rev=27916&r1=27915&r2=27916&view=diff Modified: trunk/lib/frame_order/pseudo_ellipse.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/pseudo_ellipse.py?rev=27916&r1=27915&r2=27916&view=diff Modified: trunk/lib/frame_order/pseudo_ellipse_torsionless.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/pseudo_ellipse_torsionless.py?rev=27916&r1=27915&r2=27916&view=diff Modified: trunk/lib/frame_order/rotor.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/rotor.py?rev=27916&r1=27915&r2=27916&view=diff Modified: trunk/specific_analyses/frame_order/parameters.py URL: http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/frame_order/parameters.py?rev=27916&r1=27915&r2=27916&view=diff Modified: trunk/specific_analyses/frame_order/uf.py URL: http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/frame_order/uf.py?rev=27916&r1=27915&r2=27916&view=diff Modified: trunk/target_functions/frame_order.py URL: http://svn.gna.org/viewcvs/relax/trunk/target_functions/frame_order.py?rev=27916&r1=27915&r2=27916&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=27916&r1=27915&r2=27916&view=diff Modified: trunk/user_functions/frame_order.py URL: http://svn.gna.org/viewcvs/relax/trunk/user_functions/frame_order.py?rev=27916&r1=27915&r2=27916&view=diff _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits