mailr27617 - /trunk/lib/structure/internal/coordinates.py


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Posted by edward on February 10, 2015 - 13:15:
Author: bugman
Date: Tue Feb 10 13:15:55 2015
New Revision: 27617

URL: http://svn.gna.org/viewcvs/relax?rev=27617&view=rev
Log:
Fixes for the lib.structure.internal.coordinates.assemble_coord_array() 
function.

The problem was uncovered by the Structure.test_atomic_fluctuations_no_match 
system test.  The
function can now handle no data being passed in.


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=27617&r1=27616&r2=27617&view=diff
==============================================================================
--- trunk/lib/structure/internal/coordinates.py (original)
+++ trunk/lib/structure/internal/coordinates.py Tue Feb 10 13:15:55 2015
@@ -161,6 +161,10 @@
     @return:            The array of atomic coordinates (first dimension is 
the model and/or molecule, the second are the atoms, and the third are the 
coordinates); the common list of molecule names; the common list of residue 
names; the common list of residue numbers; the common list of atom names; the 
common list of element names.
     @rtype:             numpy rank-3 float64 array, list of str, list of 
str, list of int, list of str, list of str
     """
+
+    # No data to assemble.
+    if mol_names == []:
+        return [], [], [], [], [], []
 
     # Set up the structures for common coordinates.
     num_mols = len(skip)




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