r25389 - /trunk/test_suite/shared_data/structures/diff_tensors/ellipsoid.pdb -- August 28, 2014 - 16:37

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