r27316 - /trunk/lib/structure/internal/coordinates.py -- January 26, 2015 - 18:29

Author: bugman
Date: Mon Jan 26 18:29:06 2015
New Revision: 27316

URL: http://svn.gna.org/viewcvs/relax?rev=27316&view=rev
Log:
Fix for the sequence alignment for assembling atomic coordinates.

This caused the Structure.test_superimpose_fit_to_mean system test to fail.  
The problem was in the
new logic of the lib.structure.internal.coordinates.assemble_coord_array() 
function.  The coordinate
assembly now terminates when either the end of the first molecule or the 
current molecule is
reached.


Modified:
    trunk/lib/structure/internal/coordinates.py

Modified: trunk/lib/structure/internal/coordinates.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/internal/coordinates.py?rev=27316&r1=27315&r2=27316&view=diff
==============================================================================
--- trunk/lib/structure/internal/coordinates.py (original)
+++ trunk/lib/structure/internal/coordinates.py Mon Jan 26 18:29:06 2015
@@ -246,7 +246,9 @@
 
         # Termination.
         for mol_index in range(num_mols):
-            if res_indices[mol_index] > len(atom_names[0]):
+            if res_indices[0] >= len(atom_names[0]):
+                terminate = True
+            if res_indices[mol_index] >= len(atom_names[0]):
                 terminate = True
         if terminate:
             break