mailr6830 - /1.3/generic_fns/structure/main.py


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Posted by edward on July 08, 2008 - 02:44:
Author: bugman
Date: Tue Jul  8 02:44:54 2008
New Revision: 6830

URL: http://svn.gna.org/viewcvs/relax?rev=6830&view=rev
Log:
Fix for the vectors() function.  The spin name or number check now correctly 
works.


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=6830&r1=6829&r2=6830&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Tue Jul  8 02:44:54 2008
@@ -292,8 +292,8 @@
         id = generate_spin_id(mol_name, res_num, res_name, spin.num, 
spin.name)
 
         # Test that the spin number or name are set (one or both are 
essential for the identification of the atom).
-        if spin.num == None or spin.name == None:
-            warn(RelaxWarning("Either the spin number or spin name must be 
set for the spin " + `id` + " to identify the corresponding atom in the 
structure."))
+        if spin.num == None and spin.name == None:
+            warn(RelaxWarning("Either the spin number or name must be set 
for the spin " + `id` + " to identify the corresponding atom in the 
structure."))
             continue
 
         # The bond vector already exists.




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