mailr5906 - /1.3/generic_fns/structure/main.py


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Posted by edward on April 21, 2008 - 11:41:
Author: bugman
Date: Mon Apr 21 11:41:43 2008
New Revision: 5906

URL: http://svn.gna.org/viewcvs/relax?rev=5906&view=rev
Log:
Modified the vectors() function to handle the atom position being a list.


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=5906&r1=5905&r2=5906&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Mon Apr 21 11:41:43 2008
@@ -250,12 +250,8 @@
         bonded_num, bonded_name, bonded_element, bonded_pos = 
cdp.structure.attached_atom(atom_id=spin_id, attached_atom=proton)
 
         # No attached proton.
-        if (bonded_num, bonded_name, bonded_element, bonded_pos) == (None, 
None, None, None):
-            continue
-
-        # Convert the bonded_pos into a list if only a single model is being 
used.
-        if type(bonded_pos) == ndarray:
-            bonded_pos = [bonded_pos]
+        if (bonded_num, bonded_name, bonded_element) == (None, None, None):
+            continue
 
         # Print out.
         print bonded_num, bonded_name, bonded_element, bonded_pos




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