mailr5907 - /1.3/generic_fns/structure/main.py


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Posted by edward on April 21, 2008 - 11:44:
Author: bugman
Date: Mon Apr 21 11:44:33 2008
New Revision: 5907

URL: http://svn.gna.org/viewcvs/relax?rev=5907&view=rev
Log:
Modified the vectors() function to call the non-existant structural API 
bond_vectors() method.


Modified:
    1.3/generic_fns/structure/main.py

Modified: 1.3/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/main.py?rev=5907&r1=5906&r2=5907&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Mon Apr 21 11:44:33 2008
@@ -246,15 +246,15 @@
             warn(RelaxWarning("The XH vector for the spin " + `spin_id` + " 
already exists"))
             continue
 
-        # Get the attached proton info.
-        bonded_num, bonded_name, bonded_element, bonded_pos = 
cdp.structure.attached_atom(atom_id=spin_id, attached_atom=proton)
+        # Get the bond info.
+        bond_vectors = cdp.structure.bond_vectors(atom_id=spin_id, 
attached_atom=proton)
 
         # No attached proton.
-        if (bonded_num, bonded_name, bonded_element) == (None, None, None):
+        if not bond_vectors:
             continue
 
         # Print out.
-        print bonded_num, bonded_name, bonded_element, bonded_pos
+        print bond_vectors
 
 
 




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