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Posted by edward on January 26, 2015 - 16:10:
Author: bugman
Date: Mon Jan 26 16:10:14 2015
New Revision: 27311

URL: http://svn.gna.org/viewcvs/relax?rev=27311&view=rev
Log:
Reintroduced the simulated PDB truncation into the artificial diffusion 
tensor test suite data.

This is different to the previous implementation which was deleted recently.  
It now simulates the
truncation of both the N and H positions in the PDB and reconstructs the 
expected vector.


Modified:
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out
    trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/uniform.pdb
    trunk/test_suite/shared_data/diffusion_tensor/generate_data.py
    trunk/test_suite/shared_data/diffusion_tensor/sphere/uniform.pdb
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out
    trunk/test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb

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

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/uniform.pdb
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/uniform.pdb?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/generate_data.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/generate_data.py?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/sphere/uniform.pdb
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/sphere/uniform.pdb?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out?rev=27311&r1=27310&r2=27311&view=diff

Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb?rev=27311&r1=27310&r2=27311&view=diff

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