r27414 - /trunk/pipe_control/structure/main.py -- January 31, 2015 - 11:39

Author: bugman
Date: Sat Jan 31 11:39:41 2015
New Revision: 27414

URL: http://svn.gna.org/viewcvs/relax?rev=27414&view=rev
Log:
Updated the structure.rmsd user function for the changed atomic assembly 
logic.

This now uses the assemble_structural_coordinates() function of the 
pipe_control.structure.main
module to obtain the common coordinates based on pre-existing sequence 
alignments, no-alignment, or
the default of a residue number based alignment.


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=27414&r1=27413&r2=27414&view=diff
==============================================================================
--- trunk/pipe_control/structure/main.py        (original)
+++ trunk/pipe_control/structure/main.py        Sat Jan 31 11:39:41 2015
@@ -1158,11 +1158,8 @@
     # Test if the current data pipe exists.
     check_pipe()
 
-    # Assemble the structural objects.
-    objects, object_names, pipes = assemble_structural_objects(pipes=pipes, 
models=models, molecules=molecules)
-
-    # Assemble the atomic coordinates.
-    coord, ids = assemble_coord_array(objects=objects, 
object_names=object_names, models=models, molecules=molecules, 
atom_id=atom_id)
+    # Assemble the structural coordinates.
+    coord, ids, mol_names, res_names, res_nums, atom_names, elements = 
assemble_structural_coordinates(pipes=pipes, models=models, 
molecules=molecules, atom_id=atom_id)
 
     # Calculate the RMSD.
     cdp.structure.rmsd = atomic_rmsd(coord, verbosity=1)