Author: bugman
Date: Thu Oct 1 21:27:37 2015
New Revision: 27932
URL: http://svn.gna.org/viewcvs/relax?rev=27932&view=rev
Log:
Merged revisions 23713-23714,23717,23771-23773,23778,23783 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_cleanup
........
r23713 | bugman | 2014-06-06 18:09:59 +0200 (Fri, 06 Jun 2014) | 6 lines
Added the full optimisation results for the small angle rotor CaM frame
order test data.
This is from the new frame_order.py optimisation script and the results
demonstrate the stability of
the rotor model, even when the rotor is as small as 1 degree.
........
r23714 | bugman | 2014-06-06 18:11:08 +0200 (Fri, 06 Jun 2014) | 5 lines
Removed some files from the 2nd rotor CaM frame order test data directory.
These are now present as *.gz files, so the uncompressed files can go.
........
r23717 | bugman | 2014-06-06 18:26:14 +0200 (Fri, 06 Jun 2014) | 5 lines
Removed a PDB file from the 2nd rotor CaM frame order test data directory.
This is now present as a *.gz file, so the uncompressed file can go.
........
r23771 | bugman | 2014-06-10 09:15:53 +0200 (Tue, 10 Jun 2014) | 6 lines
Fix for the free rotor PDB representation created by the
frame_order.pdb_model user function.
The simulation axes were being incorrectly generated from the theta and phi
angles, which no longer
exist as they have been replaced by the alpha angle.
........
r23772 | bugman | 2014-06-10 09:27:41 +0200 (Tue, 10 Jun 2014) | 5 lines
Added the full optimisation results for the free rotor pseudo-ellipse frame
order model.
This is for the CaM test data using the new frame_order.py optimisation
script.
........
r23773 | bugman | 2014-06-10 09:29:19 +0200 (Tue, 10 Jun 2014) | 5 lines
Added the full optimisation results for the rotor frame order model.
This is for the 2-site CaM test data using the new frame_order.py
optimisation script.
........
r23778 | bugman | 2014-06-10 09:48:07 +0200 (Tue, 10 Jun 2014) | 6 lines
The CaM frame order data generation base script now uses lib.compat.norm().
This is to allow the test suite to pass on systems with old numpy versions
whereby the
numpy.linalg.norm() function does not support the new axis argument.
........
r23783 | bugman | 2014-06-10 10:21:27 +0200 (Tue, 10 Jun 2014) | 7 lines
Modified the pymol.cone_pdb and pymol.frame_order user functions to use
PyMOL IDs.
The PyMOL IDs are used to select individual objects in PyMOL rather than
all objects so that the
subsequent PyMOL commands will only be applied to that object. This allows
for multiple objects to
be handled simultaneously.
........
Added:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/ave_pos.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/ave_pos.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/ave_pos_fixed_piv.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/ave_pos_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/ave_pos_true.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/ave_pos_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order_fixed_piv.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order_true.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_fixed_piv.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_true.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_fixed_piv.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_true.pdb.gz
- copied unchanged from r23773,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos.pdb.gz
- copied unchanged from r23714,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_fixed_piv.pdb.gz
- copied unchanged from r23714,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_true.pdb.gz
- copied unchanged from r23714,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_true.pdb.gz
Removed:
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/ave_pos.pdb
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/ave_pos.pdb
trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb
trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_fixed_piv.pdb
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos.pdb
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_fixed_piv.pdb
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_true.pdb
Modified:
trunk/ (props changed)
trunk/pipe_control/pymol_control.py
trunk/specific_analyses/frame_order/uf.py
trunk/test_suite/shared_data/frame_order/cam/generate_base.py
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.bz2
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.log.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.log.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.log.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_true.pdb.gz
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: trunk/pipe_control/pymol_control.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/pymol_control.py?rev=27932&r1=27931&r2=27932&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=27932&r1=27931&r2=27932&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/generate_base.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/generate_base.py?rev=27932&r1=27931&r2=27932&view=diff
Removed:
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/ave_pos.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/ave_pos.pdb?rev=27931&view=auto
Removed:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/ave_pos.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/ave_pos.pdb?rev=27931&view=auto
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.bz2?rev=27932&r1=27931&r2=27932&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.log.bz2?rev=27932&r1=27931&r2=27932&view=diff
Removed: trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb?rev=27931&view=auto
Removed:
trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_fixed_piv.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_fixed_piv.pdb?rev=27931&view=auto
Removed:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb?rev=27931&view=auto
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.bz2?rev=27932&r1=27931&r2=27932&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.log.bz2?rev=27932&r1=27931&r2=27932&view=diff
Removed:
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos.pdb?rev=27931&view=auto
Removed:
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_fixed_piv.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_fixed_piv.pdb?rev=27931&view=auto
Removed:
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_true.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_true.pdb?rev=27931&view=auto
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.bz2?rev=27932&r1=27931&r2=27932&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.log.bz2?rev=27932&r1=27931&r2=27932&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.pdb.gz?rev=27932&r1=27931&r2=27932&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_fixed_piv.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_fixed_piv.pdb.gz?rev=27932&r1=27931&r2=27932&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_true.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_true.pdb.gz?rev=27932&r1=27931&r2=27932&view=diff
r27932 - in /trunk: ./ pipe_control/ specific_analyses/frame_order/ test_suite/shared_data/frame_order/cam/ test_suite/share...