Sounds good Geoff. Regarding atom.isotope and others, just to note that Pybel is not intended to wrap all of Open Babel's functionality but just the most common (although it also wraps stuff that is awkward to use otherwise, e.g. unitcell). A small API makes it easy to use. Where to draw the line is of course up for debate, but this is worth keeping in mind.
- Noel On 5 June 2013 18:08, Dimitri Maziuk <dmaz...@bmrb.wisc.edu> wrote: > 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 > > > ------------------------------------------------------------------------------ > 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 > ------------------------------------------------------------------------------ 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
