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
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