I'm afraid that it can't be done (even in 2.3.1). If you're happy to recompile the bindings, you can easily add the appropriate line to openbabel-python.i. I'll make sure it's in the next release.
(Note to self: see data types in base.h) - Noel On 19 October 2011 08:04, kazufumi ohkawa <[email protected]> wrote: > Hello, > > I use openbabel-2.3.0(and Python-2.6.5). > > I'm trying to get orbital energies (HOMO and LUMO) from OBMol object, > read from GAMESS output. but i couldn't find casting method. > >>>> orb = mol.GetData(openbabel.ElectronicData) >>>> [n for n in dir(openbabel) if n.startswith('to')] > > are there any casting method, or do i anything wrong ? > > Help will be really appreciate. Thank you. > > kzfm > > ------------------------------------------------------------------------------ > All the data continuously generated in your IT infrastructure contains a > definitive record of customers, application performance, security > threats, fraudulent activity and more. Splunk takes this data and makes > sense of it. Business sense. IT sense. Common sense. > http://p.sf.net/sfu/splunk-d2d-oct > _______________________________________________ > OpenBabel-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
