Author: bugman
Date: Thu Oct 1 20:17:10 2015
New Revision: 27919
URL: http://svn.gna.org/viewcvs/relax?rev=27919&view=rev
Log:
Merged revisions 23326,23347,23354-23355,23387-23388,23391 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_cleanup
........
r23326 | bugman | 2014-05-22 12:13:26 +0200 (Thu, 22 May 2014) | 4 lines
Parameter update for the 2nd rotor CaM frame order test model optimisation
script.
The Euler angles for the rotation about the motional pivot have been
replaced by the translation
vector and Euler angle CoM rotation parameters.
........
r23347 | bugman | 2014-05-22 18:26:47 +0200 (Thu, 22 May 2014) | 4 lines
Large increase in precision for the 2nd CaM frame order free rotor model
test data set.
The higher precision is because the number structures in the distribution
is now 20 million rather
than 999,999 and the numpy.float128 data averaging has been used.
........
r23354 | bugman | 2014-05-22 18:37:42 +0200 (Thu, 22 May 2014) | 4 lines
Updated the CaM frame order test model superimposition script.
The Ca2+ atoms are now deleted from the structures before superimposition
so that the centroid
matches that used in the frame order analysis.
........
r23355 | bugman | 2014-05-22 18:46:51 +0200 (Thu, 22 May 2014) | 5 lines
The average domain rotation centroid is printed out when setting up the
frame order target functions.
This is to help the user understand what is happening in the analysis.
........
r23387 | bugman | 2014-05-23 16:55:52 +0200 (Fri, 23 May 2014) | 6 lines
Faster clearing of numpy arrays in the lib.frame_order modules.
The x[:] = 0.0 notation is now used to set all elements to zero, rather
than nested looping over all
dimensions. This however has a negligible effect on the test suite timings.
........
r23388 | bugman | 2014-05-23 17:38:34 +0200 (Fri, 23 May 2014) | 4 lines
Large increase in precision for the CaM frame order pseudo-ellipse model
test data set.
The higher precision is because the number structures in the distribution
is now 20 million rather
than 1 million and the numpy.float128 data averaging has been used.
........
r23391 | bugman | 2014-05-23 20:09:10 +0200 (Fri, 23 May 2014) | 3 lines
Missing import from the trunk merge.
........
Added:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/generate_distribution.bz2
- copied unchanged from r23347,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/generate_distribution.bz2
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/generate_distribution.bz2
- copied unchanged from r23388,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/generate_distribution.bz2
Removed:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/generate_distribution.log
Modified:
trunk/ (props changed)
trunk/lib/frame_order/double_rotor.py
trunk/lib/frame_order/free_rotor.py
trunk/lib/frame_order/iso_cone.py
trunk/lib/frame_order/iso_cone_free_rotor.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/optimisation.py
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/axis.pdb
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order_matrix
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/generate_distribution.log.bz2
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/generate_distribution.py
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_dy.txt
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_dy_subset.txt
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_er.txt
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_er_subset.txt
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tb.txt
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tb_subset.txt
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tm.txt
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tm_subset.txt
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_dy.txt
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_er.txt
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_tb.txt
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_tm.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/axis.pdb
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_matrix
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/generate_distribution.log.bz2
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/generate_distribution.py
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy_subset.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er_subset.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb_subset.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm_subset.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_dy.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_er.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_tb.txt
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_tm.txt
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/superimpose.log
trunk/test_suite/shared_data/frame_order/cam/superimpose.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=27919&r1=27918&r2=27919&view=diff
Modified: trunk/lib/frame_order/free_rotor.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/free_rotor.py?rev=27919&r1=27918&r2=27919&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=27919&r1=27918&r2=27919&view=diff
Modified: trunk/lib/frame_order/iso_cone_free_rotor.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/iso_cone_free_rotor.py?rev=27919&r1=27918&r2=27919&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=27919&r1=27918&r2=27919&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=27919&r1=27918&r2=27919&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=27919&r1=27918&r2=27919&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=27919&r1=27918&r2=27919&view=diff
Modified: trunk/lib/frame_order/rotor.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/rotor.py?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/specific_analyses/frame_order/optimisation.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/frame_order/optimisation.py?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/free_rotor2/axis.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/axis.pdb?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order_matrix
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order_matrix?rev=27919&r1=27918&r2=27919&view=diff
Removed:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/generate_distribution.log
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/generate_distribution.log?rev=27918&view=auto
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/generate_distribution.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/generate_distribution.log.bz2?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/generate_distribution.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/generate_distribution.py?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_dy.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_dy.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_dy_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_dy_subset.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_er.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_er.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_er_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_er_subset.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tb.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tb.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tb_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tb_subset.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tm.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tm.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tm_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/pcs_tm_subset.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_dy.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_dy.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_er.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_er.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_tb.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_tb.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_tm.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/free_rotor2/rdc_tm.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/axis.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/axis.pdb?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_matrix
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order_matrix?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/generate_distribution.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/generate_distribution.log.bz2?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/generate_distribution.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/generate_distribution.py?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy_subset.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er_subset.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb_subset.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm_subset.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_dy.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_dy.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_er.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_er.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_tb.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_tb.txt?rev=27919&r1=27918&r2=27919&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_tm.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/pseudo_ellipse/rdc_tm.txt?rev=27919&r1=27918&r2=27919&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=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/superimpose.log
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/superimpose.log?rev=27919&r1=27918&r2=27919&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/superimpose.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/superimpose.py?rev=27919&r1=27918&r2=27919&view=diff
r27919 - in /trunk: ./ lib/frame_order/ specific_analyses/frame_order/ test_suite/shared_data/frame_order/cam/ test_suite/sh...