Author: bugman
Date: Thu Oct 1 20:41:31 2015
New Revision: 27921
URL: http://svn.gna.org/viewcvs/relax?rev=27921&view=rev
Log:
Merged revisions 23427-23430,23466-23467 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_cleanup
........
r23427 | bugman | 2014-05-26 17:00:03 +0200 (Mon, 26 May 2014) | 3 lines
The minimisation verbosity flag now effects the frame order RelaxWarning
about turning constraints off.
........
r23428 | bugman | 2014-05-26 18:15:06 +0200 (Mon, 26 May 2014) | 3 lines
Preformed a frame order analysis on the 2nd CaM free-rotor model test data.
This is to check that everything is operating as expected.
........
r23429 | bugman | 2014-05-26 19:07:55 +0200 (Mon, 26 May 2014) | 4 lines
Small speed up for the frame order target functions for most models.
The rotation matrix corresponding to each Sobol' point for the numerical
integration is now
pre-calculated during target function initialisation rather than once for
each function call.
........
r23430 | bugman | 2014-05-26 19:08:02 +0200 (Mon, 26 May 2014) | 5 lines
Updates for some of the frame order system tests for the rotation matrix
pre-calculation change.
As the rotation matrix is being pre-calculated, one consequence is that the
Sobol' angles are now
full 64-bit precision rather than 32-bit. Therefore this changes the
chi-squared value a little,
requiring updates to the tests.
........
r23466 | bugman | 2014-05-27 13:54:09 +0200 (Tue, 27 May 2014) | 3 lines
Preformed a frame order analysis on the CaM free-rotor mode test data set.
This is to demonstrate that everything is operating correctly.
........
r23467 | bugman | 2014-05-27 13:54:14 +0200 (Tue, 27 May 2014) | 3 lines
Preformed a frame order analysis on the CaM free-rotor mode test data set
with missing data.
This is to demonstrate that everything is operating correctly.
........
Added:
trunk/test_suite/shared_data/frame_order/cam/free_rotor/ave_pos_fixed_piv.pdb
- copied unchanged from r23467,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor/ave_pos_fixed_piv.pdb
trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.pdb.gz
- copied unchanged from r23467,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order_fixed_piv.pdb.gz
- copied unchanged from r23467,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order_true.pdb.gz
- copied unchanged from r23467,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor/frame_order_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/ave_pos_fixed_piv.pdb
- copied unchanged from r23430,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/ave_pos_fixed_piv.pdb
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.pdb.gz
- copied unchanged from r23430,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order_fixed_piv.pdb.gz
- copied unchanged from r23430,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order_true.pdb.gz
- copied unchanged from r23430,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/ave_pos_fixed_piv.pdb
- copied unchanged from r23467,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/ave_pos_fixed_piv.pdb
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.pdb.gz
- copied unchanged from r23467,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order_fixed_piv.pdb.gz
- copied unchanged from r23467,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order_true.pdb.gz
- copied unchanged from r23467,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order_true.pdb.gz
Modified:
trunk/ (props changed)
trunk/lib/frame_order/double_rotor.py
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/api.py
trunk/target_functions/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/free_rotor/ave_pos.pdb
trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.bz2
trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.log.bz2
trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/ave_pos.pdb
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.bz2
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.log.bz2
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/ave_pos.pdb
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.bz2
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.log.bz2
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py
trunk/test_suite/system_tests/frame_order.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: trunk/lib/frame_order/double_rotor.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/double_rotor.py?rev=27921&r1=27920&r2=27921&view=diff
Modified: trunk/lib/frame_order/iso_cone.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/iso_cone.py?rev=27921&r1=27920&r2=27921&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=27921&r1=27920&r2=27921&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=27921&r1=27920&r2=27921&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=27921&r1=27920&r2=27921&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=27921&r1=27920&r2=27921&view=diff
Modified: trunk/lib/frame_order/rotor.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/rotor.py?rev=27921&r1=27920&r2=27921&view=diff
Modified: trunk/specific_analyses/frame_order/api.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/frame_order/api.py?rev=27921&r1=27920&r2=27921&view=diff
Modified: trunk/target_functions/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/target_functions/frame_order.py?rev=27921&r1=27920&r2=27921&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/free_rotor/ave_pos.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor/ave_pos.pdb?rev=27921&r1=27920&r2=27921&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.bz2?rev=27921&r1=27920&r2=27921&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.log.bz2?rev=27921&r1=27920&r2=27921&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=27921&r1=27920&r2=27921&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/free_rotor2/ave_pos.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/ave_pos.pdb?rev=27921&r1=27920&r2=27921&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.bz2?rev=27921&r1=27920&r2=27921&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.log.bz2?rev=27921&r1=27920&r2=27921&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=27921&r1=27920&r2=27921&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/ave_pos.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/ave_pos.pdb?rev=27921&r1=27920&r2=27921&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.bz2?rev=27921&r1=27920&r2=27921&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.log.bz2?rev=27921&r1=27920&r2=27921&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=27921&r1=27920&r2=27921&view=diff
Modified: trunk/test_suite/system_tests/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/frame_order.py?rev=27921&r1=27920&r2=27921&view=diff
r27921 - in /trunk: ./ lib/frame_order/ specific_analyses/frame_order/ target_functions/ test_suite/shared_data/frame_order/...