r27297 - in /trunk/test_suite/shared_data/diffusion_tensor: ./ ellipsoid/ sphere/ spheroid/ -- January 26, 2015 - 11:26

Author: bugman
Date: Mon Jan 26 11:26:15 2015
New Revision: 27297

URL: http://svn.gna.org/viewcvs/relax?rev=27297&view=rev
Log:
Changed the synthetic PDB for the artificial diffusion tensor test suite data.

The nitrogen and proton positions are now shifted 10 Angstrom along the 
distribution vectors.  This
is to avoid having all nitrogens positioned at the origin which causes the 
internal structural
object algorithm for determining which atoms are connected to fail.


Modified:
    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/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/uniform.pdb
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/uniform.pdb?rev=27297&r1=27296&r2=27297&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=27297&r1=27296&r2=27297&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=27297&r1=27296&r2=27297&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=27297&r1=27296&r2=27297&view=diff