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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