Sorry - I misunderstood. atom.isotope is already there; just the ability to set it is not...
On 5 June 2013 20:48, Noel O'Boyle <baoille...@gmail.com> wrote: > 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
