Author: bugman
Date: Thu Aug 28 16:37:16 2014
New Revision: 25389
URL: http://svn.gna.org/viewcvs/relax?rev=25389&view=rev
Log:
Tiny fix for the Diffusion_tensor.test_create_diff_tensor_pdb_ellipsoid system
test.
The switch to using the lib.periodic_table module for atomic masses has caused
the centre of mass of
the ellipsoid to shift just enough that one ATOM coordinate in the PDB file has
changed its last
significant digit.
Modified:
trunk/test_suite/shared_data/structures/diff_tensors/ellipsoid.pdb
Modified: trunk/test_suite/shared_data/structures/diff_tensors/ellipsoid.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/diff_tensors/ellipsoid.pdb?rev=25389&r1=25388&r2=25389&view=diff
==============================================================================
--- trunk/test_suite/shared_data/structures/diff_tensors/ellipsoid.pdb
(original)
+++ trunk/test_suite/shared_data/structures/diff_tensors/ellipsoid.pdb Thu Aug
28 16:37:16 2014
@@ -72,7 +72,7 @@
HETATM 44 H44 TNS A 2 6.283 15.628 8.980 1.00 0.00 H
HETATM 45 H45 TNS A 2 7.942 25.008 4.828 1.00 0.00 H
HETATM 46 H46 TNS A 2 9.563 34.139 -0.013 1.00 0.00 H
-HETATM 47 H47 TNS A 2 11.133 42.931 -5.797 1.00 0.00 H
+HETATM 47 H47 TNS A 2 11.133 42.931 -5.796 1.00 0.00 H
HETATM 48 H48 TNS A 2 12.600 51.053 -13.441 1.00 0.00 H
HETATM 49 H49 TNS A 2 13.093 53.541 -21.633 1.00 0.00 H
HETATM 50 H50 TNS A 2 -3.828 -42.428 13.835 1.00 0.00 H
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