r27413 - /trunk/pipe_control/structure/main.py -- January 31, 2015 - 11:38

Author: bugman
Date: Sat Jan 31 11:38:34 2015
New Revision: 27413

URL: http://svn.gna.org/viewcvs/relax?rev=27413&view=rev
Log:
Updated the structure.atomic_fluctuations 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=27413&r1=27412&r2=27413&view=diff
==============================================================================
--- trunk/pipe_control/structure/main.py        (original)
+++ trunk/pipe_control/structure/main.py        Sat Jan 31 11:38:34 2015
@@ -260,11 +260,8 @@
     if measure not in allowed_measures:
         raise RelaxError("The measure '%s' must be one of %s." % (measure, 
allowed_measures))
 
-    # Assemble the structural objects.
-    objects, object_names, pipes = assemble_structural_objects(pipes=pipes, 
models=models, molecules=molecules)
-
-    # Assemble the atomic coordinates.
-    coord, ids, mol_names, res_names, res_nums, atom_names, elements = 
assemble_coord_array(objects=objects, object_names=object_names, 
models=models, molecules=molecules, atom_id=atom_id, seq_info_flag=True)
+    # 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)
 
     # The number of dimensions.
     n = len(atom_names)