Author: bugman
Date: Sat Jan 31 11:54:29 2015
New Revision: 27418
URL: http://svn.gna.org/viewcvs/relax?rev=27418&view=rev
Log:
Another fix for the new
pipe_control.structure.main.assemble_structural_coordinates() function.
The logic for determining if only models will be superimposed was incorrect.
Modified:
trunk/pipe_control/structure/main.py
Modified: trunk/pipe_control/structure/main.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=27418&r1=27417&r2=27418&view=diff
==============================================================================
--- trunk/pipe_control/structure/main.py (original)
+++ trunk/pipe_control/structure/main.py Sat Jan 31 11:54:29 2015
@@ -132,6 +132,12 @@
# Assemble the atomic coordinates of all molecules.
ids, object_id_list, model_list, molecule_list, atom_pos, mol_names,
res_names, res_nums, atom_names, elements, one_letter_codes, num_mols =
assemble_atomic_coordinates(objects=objects, object_names=object_names,
molecules=molecules, models=models, atom_id=atom_id)
+ # Are all molecules the same?
+ same_mol = True
+ for mol in molecule_list:
+ if mol != molecule_list[0]:
+ same_mol = False
+
# Handle sequence alignments - retrieve the alignment.
align = None
if hasattr(ds, 'sequence_alignments'):
@@ -164,7 +170,7 @@
skip[mol_index].append(0)
# Handle sequence alignments - no alignment required.
- elif len(objects) == 1 and molecules == None:
+ elif len(objects) == 1 and same_mol:
# Printout.
print("\nSequence alignment disabled as only models with identical
molecule, residue and atomic sequences are being superimposed.")
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