r6820 - /1.3/generic_fns/structure/main.py -- July 08, 2008 - 01:46

Author: bugman
Date: Tue Jul  8 01:46:47 2008
New Revision: 6820

URL: http://svn.gna.org/viewcvs/relax?rev=6820&view=rev
Log:
Modified vectors() to use the new data returned by 
cdp.structure.bond_vectors().


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=6820&r1=6819&r2=6820&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Tue Jul  8 01:46:47 2008
@@ -308,13 +308,18 @@
 
         # No attached atom.
         if not bond_vectors:
+            # Warning messages.
+            if warnings:
+                warn(RelaxWarning(warnings))
+
+            # Skip the spin.
             continue
 
         # Set the attached atom name.
         if not hasattr(spin, 'attached_atom'):
-            spin.attached_atom = attached
-        elif spin.attached_atom != attached:
-            raise RelaxError, "The attached atom " + `spin.attached_atom` + 
" does not match the attached argument " + `atom` + "."
+            spin.attached_atom = attached_name
+        elif spin.attached_atom != attached_name:
+            raise RelaxError, "The " + `spin.attached_atom` + " atom already 
attached to the spin does not match the attached atom " + `attached_name` + 
"."
 
         # Initialise the average vector.
         if ave: