On 06/05/2013 10:48 AM, Geoffrey Hutchison wrote: >> etab = ob.OBElementTable() >> etab.GetSymbol(6) > > Although I can see some benefit for Pybel to have a wrapper to > handle something like atom.element and hide all this in something more "Pythonic". > > (Noel, would you let me try doing this?)
While you're at it & if you feel like it, things like atom.isotope = property( OBAtom.GetIsotope(), OBAtom.SetIsotope() ) (not to be taken literally, obviously ;) would be more "pythonic", too. -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
signature.asc
Description: OpenPGP digital signature
------------------------------------------------------------------------------ How ServiceNow helps IT people transform IT departments: 1. A cloud service to automate IT design, transition and operations 2. Dashboards that offer high-level views of enterprise services 3. A single system of record for all IT processes http://p.sf.net/sfu/servicenow-d2d-j
_______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss