r27418 - /trunk/pipe_control/structure/main.py -- January 31, 2015 - 11:54

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.")