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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