r27927 - in /trunk: ./ specific_analyses/frame_order/ target_functions/ test_suite/shared_data/frame_order/cam/free_rotor/ t...r27927 - in /trunk: ./ specific_analyses/frame_order/ target_functions/ test_suite/shared_data/frame_order/cam/free_rotor/ t...Author: bugman Date: Thu Oct 1 21:17:49 2015 New Revision: 27927 URL: http://svn.gna.org/viewcvs/relax?rev=27927&view=rev Log: Merged revisions 23624-23627 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_cleanup ........ r23624 | bugman | 2014-06-03 18:09:00 +0200 (Tue, 03 Jun 2014) | 3 lines The frame_order.num_int_pts user function now throws a RelaxWarning if not enough points are used. ........ r23625 | bugman | 2014-06-03 18:12:00 +0200 (Tue, 03 Jun 2014) | 6 lines Changed the creation of Sobol' points for numerical integration in the frame order target functions. The points are now all created at once using the i4_sobol_generate() rather than i4_sobol() function from the extern.sobol.sobol_lib module. ........ r23626 | bugman | 2014-06-03 18:29:44 +0200 (Tue, 03 Jun 2014) | 6 lines Increased the number of integration points from 50 or 100 to 5000. This is for all CaM frame_order.py test data optimisation scripts. The higher number of points are essential for optimising the frame order models and hence for checking the relax implementation. ........ r23627 | bugman | 2014-06-04 09:04:34 +0200 (Wed, 04 Jun 2014) | 6 lines Updated the frame_order.py optimisation script for the small angle CaM rotor frame order test data. This now has the correct rotor torsion angle of 1 degree, and the spherical coordinates are now converted to the axis alpha parameter. ........ Modified: trunk/ (props changed) trunk/specific_analyses/frame_order/uf.py trunk/target_functions/frame_order.py 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 trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.py [This mail would be too long, it was shortened to contain the URLs only.] Modified: trunk/specific_analyses/frame_order/uf.py URL: http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/frame_order/uf.py?rev=27927&r1=27926&r2=27927&view=diff Modified: trunk/target_functions/frame_order.py URL: http://svn.gna.org/viewcvs/relax/trunk/target_functions/frame_order.py?rev=27927&r1=27926&r2=27927&view=diff 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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&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=27927&r1=27926&r2=27927&view=diff Modified: trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.py?rev=27927&r1=27926&r2=27927&view=diff