r5033 - /1.3/generic_fns/structure.py -- February 20, 2008 - 09:23

Author: bugman
Date: Wed Feb 20 09:23:23 2008
New Revision: 5033

URL: http://svn.gna.org/viewcvs/relax?rev=5033&view=rev
Log:
Fixes for the generic_fns.structure.atom_add() function.

The atomic_data dictionary is now expected to be passed into the function.


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=5033&r1=5032&r2=5033&view=diff
==============================================================================
--- 1.3/generic_fns/structure.py (original)
+++ 1.3/generic_fns/structure.py Wed Feb 20 09:23:23 2008
@@ -40,7 +40,7 @@
 
 
 
-def atom_add(atom_id=None, record_name='', atom_name='', res_name='', 
chain_id='', res_num=None, pos=[None, None, None], segment_id='', element=''):
+def atom_add(atomic_data=None, atom_id=None, record_name='', atom_name='', 
res_name='', chain_id='', res_num=None, pos=[None, None, None], 
segment_id='', element=''):
     """Function for adding an atom to the atomic_data structure.
 
     The atomic_data data structure is a dictionary of arrays.  The keys 
correspond to the
@@ -62,6 +62,8 @@
     This function will create the key-value pair for the given atom.
 
 
+    @param atomic_data: The dictionary to place the atomic data into.
+    @type atomic_data:  dict
     @param atom_id:     The atom identifier.  This is used as the key within 
the dictionary.
     @type atom_id:      str
     @param record_name: The record name, e.g. 'ATOM', 'HETATM', or 'TER'.