mailr24015 - /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/


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Posted by edward on June 17, 2014 - 09:52:
Author: bugman
Date: Tue Jun 17 09:52:10 2014
New Revision: 24015

URL: http://svn.gna.org/viewcvs/relax?rev=24015&view=rev
Log:
Large increase in precision for the CaM frame order torsionless 
pseudo-ellipse model test data set.

In addition, the theta_x and theta_y angles have also been swapped so that 
the new constraint of
0 <= theta_x <= theta_y <= pi built into the analysis is satisfied.

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.  The 
algorithm for finding
suitable random domain positions within the motional limits has been changed 
as well by extracting
the theta and phi tilt angles from the random rotation, dropping the torsion 
angle sigma, and
reconstructing the rotation from just the tilt angles.  This increases the 
speed of the data
generation script by minimally 5 orders of magnitude.


Added:
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/generate_distribution.bz2
   (with props)
Modified:
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/axis.pdb
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order_matrix
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/generate_distribution.log.bz2
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/generate_distribution.py
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_dy.txt
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_dy_subset.txt
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_er.txt
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_er_subset.txt
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tb.txt
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tb_subset.txt
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tm.txt
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tm_subset.txt
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_dy.txt
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_er.txt
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_tb.txt
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_tm.txt

[This mail would be too long, it was shortened to contain the URLs only.]

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/axis.pdb
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/axis.pdb?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order_matrix
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order_matrix?rev=24015&r1=24014&r2=24015&view=diff

Added: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/generate_distribution.bz2
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/generate_distribution.bz2?rev=24015&view=auto

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/generate_distribution.log.bz2
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/generate_distribution.log.bz2?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/generate_distribution.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/generate_distribution.py?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_dy.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_dy.txt?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_dy_subset.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_dy_subset.txt?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_er.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_er.txt?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_er_subset.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_er_subset.txt?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tb.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tb.txt?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tb_subset.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tb_subset.txt?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tm.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tm.txt?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tm_subset.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/pcs_tm_subset.txt?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_dy.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_dy.txt?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_er.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_er.txt?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_tb.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_tb.txt?rev=24015&r1=24014&r2=24015&view=diff

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_tm.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/rdc_tm.txt?rev=24015&r1=24014&r2=24015&view=diff




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