> 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 ------------------------------------------------------------------------------ What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic patterns at an interface-level. Reveals which users, apps, and protocols are consuming the most bandwidth. Provides multi-vendor support for NetFlow, J-Flow, sFlow and other flows. Make informed decisions using capacity planning reports. https://ad.doubleclick.net/ddm/clk/305295220;132659582;e _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
