r5284 - /1.3/generic_fns/structure.py -- April 04, 2008 - 10:59

Author: bugman
Date: Fri Apr  4 10:59:15 2008
New Revision: 5284

URL: http://svn.gna.org/viewcvs/relax?rev=5284&view=rev
Log:
Updated the generic_fns.structure.set_vector() function to the new design.


Modified:
    1.3/generic_fns/structure.py

Modified: 1.3/generic_fns/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure.py?rev=5284&r1=5283&r2=5284&view=diff
==============================================================================
--- 1.3/generic_fns/structure.py (original)
+++ 1.3/generic_fns/structure.py Fri Apr  4 10:59:15 2008
@@ -1105,11 +1105,17 @@
     molmol.open_pdb()
 
 
-def set_vector(run=None, res=None, xh_vect=None):
-    """Function for setting the XH unit vectors."""
-
-    # Place the XH unit vector in 'relax_data_store.res'.
-    relax_data_store.res[run][res].xh_vect = xh_vect
+def set_vector(spin=None, xh_vect=None):
+    """Place the XH unit vector into the spin container object.
+
+    @keyword spin:      The spin container object.
+    @type spin:         SpinContainer instance
+    @keyword xh_vect:   The unit vector parallel to the XH bond.
+    @type xh_vect:      array of len 3
+    """
+
+    # Place the XH unit vector into the container.
+    spin.xh_vect = xh_vect
 
 
 def stitch_cap_to_cone(atomic_data=None, atom_id_ext='', max_angle=None, 
inc=None):