r5034 - /1.3/generic_fns/structure.py -- February 20, 2008 - 09:24

Author: bugman
Date: Wed Feb 20 09:24:01 2008
New Revision: 5034

URL: http://svn.gna.org/viewcvs/relax?rev=5034&view=rev
Log:
Fixes for the generic_fns.structure.atom_connect() 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=5034&r1=5033&r2=5034&view=diff
==============================================================================
--- 1.3/generic_fns/structure.py (original)
+++ 1.3/generic_fns/structure.py Wed Feb 20 09:24:01 2008
@@ -102,7 +102,7 @@
     atomic_data[atom_id].append(element)
 
 
-def atom_connect(atom_id=None, bonded_id=None):
+def atom_connect(atomic_data=None, atom_id=None, bonded_id=None):
     """Function for connecting two atoms within the atomic_data data 
structure.
 
     The atomic_data data structure is a dictionary of arrays.  The keys 
correspond to the
@@ -125,6 +125,14 @@
     The bonded_id atom number will then be appended to the atom_id array.  
Because the
     connections work both ways in the PDB file, the atom_id atom number will 
be appended to the
     bonded_id atom array as well.
+
+
+    @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 bonded_id:   The second atom identifier.  This is used as the key 
within the dictionary.
+    @type bonded_id:    str
     """
 
     # Find the atom number corresponding to atom_id.