Author: bugman
Date: Fri Oct 2 12:06:50 2015
New Revision: 27943
URL: http://svn.gna.org/viewcvs/relax?rev=27943&view=rev
Log:
Merged revisions 24560-24561,24585-24586,24666-24667 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_cleanup
........
r24560 | bugman | 2014-07-18 10:26:01 +0200 (Fri, 18 Jul 2014) | 8 lines
Updated the frame order optimisation results for the CaM free rotor
isotropic cone test data.
The optimisation in the frame_order.py is now of higher precision with the
number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo
simulations. The new
frame order representation files have been added to the repository, as well
as the intermediate
state files.
........
r24561 | bugman | 2014-07-18 10:30:09 +0200 (Fri, 18 Jul 2014) | 8 lines
Updated the frame order optimisation results for the CaM small angle rotor
test data.
The optimisation in the frame_order.py is now of higher precision with the
number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo
simulations. The new
frame order representation files have been added to the repository, as well
as the intermediate
state files.
........
r24585 | bugman | 2014-07-21 16:07:58 +0200 (Mon, 21 Jul 2014) | 8 lines
Updated the frame order optimisation results for the 2nd CaM free rotor
isotropic cone test data.
The optimisation in the frame_order.py is now of higher precision with the
number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo
simulations. The new
frame order representation files have been added to the repository, as well
as the intermediate
state files.
........
r24586 | bugman | 2014-07-21 16:10:51 +0200 (Mon, 21 Jul 2014) | 8 lines
Updated the frame order optimisation results for the CaM pseudo-ellipse
test data.
The optimisation in the frame_order.py is now of higher precision with the
number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo
simulations. The new
frame order representation files have been added to the repository, as well
as the intermediate
state files.
........
r24666 | bugman | 2014-07-23 08:57:12 +0200 (Wed, 23 Jul 2014) | 8 lines
Updated the frame order optimisation results for the CaM torsionless
isotropic cone test data.
The optimisation in the frame_order.py is now of higher precision with the
number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo
simulations. The new
frame order representation files have been added to the repository, as well
as the intermediate
state files.
........
r24667 | bugman | 2014-07-23 08:58:29 +0200 (Wed, 23 Jul 2014) | 8 lines
Updated the frame order optimisation results for the 2nd CaM
pseudo-elliptic cone test data.
The optimisation in the frame_order.py is now of higher precision with the
number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo
simulations. The new
frame order representation files have been added to the repository, as well
as the intermediate
state files.
........
Added:
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/ave_pos_sim.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/ave_pos_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_fixed_piv.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_fixed_piv.bz2
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_fixed_piv_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_fixed_piv_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_fixed_piv_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_fixed_piv_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_sim_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_sim_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_sim_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_sim_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_true.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_true.bz2
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_true_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_true_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_true_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_true_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/ave_pos_sim.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/ave_pos_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_fixed_piv.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_fixed_piv.bz2
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_fixed_piv_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_fixed_piv_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_fixed_piv_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_fixed_piv_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_sim_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_sim_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_sim_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_sim_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_true.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_true.bz2
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_true_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_true_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_true_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_true_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/ave_pos_sim.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/ave_pos_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_fixed_piv.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_fixed_piv.bz2
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_fixed_piv_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_fixed_piv_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_fixed_piv_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_fixed_piv_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_sim_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_sim_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_sim_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_sim_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_true.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_true.bz2
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_true_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_true_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_true_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_true_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/ave_pos_sim.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/ave_pos_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_fixed_piv.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_fixed_piv.bz2
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_fixed_piv_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_fixed_piv_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_fixed_piv_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_fixed_piv_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_sim_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_sim_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_sim_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_sim_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_true.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_true.bz2
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_true_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_true_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_true_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_true_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/ave_pos_sim.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/ave_pos_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_fixed_piv.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_fixed_piv.bz2
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_fixed_piv_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_fixed_piv_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_fixed_piv_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_fixed_piv_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_sim_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_sim_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_sim_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_sim_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_true.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_true.bz2
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_true_A.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_true_A.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_true_B.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_true_B.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_sim.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/ave_pos_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_fixed_piv.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_fixed_piv.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_sim.pdb.gz
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_true.bz2
- copied unchanged from r24667,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order_true.bz2
Removed:
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order_true.pdb.gz
Modified:
trunk/ (props changed)
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/ave_pos.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/ave_pos_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/ave_pos_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.bz2
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.log.bz2
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/ave_pos.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/ave_pos_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/ave_pos_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.bz2
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.log.bz2
trunk/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py
[... 192 lines stripped ...]
r27943 - in /trunk: ./ test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/ test_suite/shared_data/frame_order/cam/is...