r16874 - /branches/interatomic/generic_fns/interatomic.py -- June 11, 2012 - 22:35

Author: bugman
Date: Mon Jun 11 22:35:57 2012
New Revision: 16874

URL: http://svn.gna.org/viewcvs/relax?rev=16874&view=rev
Log:
Created the generic_fns.interatomic.interatomic_loop() generator function.


Modified:
    branches/interatomic/generic_fns/interatomic.py

Modified: branches/interatomic/generic_fns/interatomic.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/generic_fns/interatomic.py?rev=16874&r1=16873&r2=16874&view=diff
==============================================================================
--- branches/interatomic/generic_fns/interatomic.py (original)
+++ branches/interatomic/generic_fns/interatomic.py Mon Jun 11 22:35:57 2012
@@ -52,6 +52,25 @@
     return cdp.interatomic.add_item(spin_id1=spin_id1, spin_id2=spin_id2)
 
 
+def interatomic_loop(pipe=None):
+    """Generator function for looping over all the interatomic data 
containers.
+
+    @keyword pipe:      The data pipe containing the spin.  Defaults to the 
current data pipe.
+    @type pipe:         str
+    """
+
+    # The data pipe.
+    if pipe == None:
+        pipe = pipes.cdp_name()
+
+    # Get the data pipe.
+    dp = pipes.get_pipe(pipe)
+
+    # Loop over the containers, yielding them.
+    for i in range(len(dp.interatomic)):
+        yield dp.interatomic[i]
+
+
 def return_interatom(spin_id1=None, spin_id2=None, pipe=None):
     """Return the interatomic data container for the two spins.