Hi Stefano, Your comment about guidelines is of course true. I've been thinking about this.
My feeling is that only needed functions should be in the API. So it's not that a function is not useful, or that someone might find it useful. This is not a concrete guideline of course, but it's something to bear in mind. Regards, - Noel On 2 June 2016 at 16:34, Geoffrey Hutchison <geoff.hutchi...@gmail.com> wrote: >> SMARTS pattern is that you have the match of each atom to each virtual >> atom of the pattern. For a function of OBAtom, it's just boolean true >> or false. > > Moreover, there's already OBAtom::MatchesSMARTS() > http://openbabel.org/dev-api/classOpenBabel_1_1OBAtom.shtml#abfdefac42d3c895920f1f715f0d710a5 > > Some of these "one-off" functions are certainly more efficient, and I do like > David's enum-based suggestion. > > My feeling is that we should decide fairly quickly on any API changes so that > we can issue 2.4 soon. > > Thanks, > -Geoff ------------------------------------------------------------------------------ Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San Francisco, CA to explore cutting-edge tech and listen to tech luminaries present their vision of the future. This family event has something for everyone, including kids. Get more information and register today. http://sdm.link/attshape _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
