I was just going to make the point that I'm not too keen on the majority of the additions to OBAtom and OBMol, which appear to be convenience functions. Consider IsSulfoneOxygen. There are a lot of elements out there and a lot of functional groups; we should either add them all or add none. If in the end, this function is absolutely necessary, surely such convenience functions could live elsewhere rather than being in the central classes of the library.
I blame IsHydrogen() - it's a magnet for further "Is"s :-) - Noel On 23 May 2016 at 19:06, Geoffrey Hutchison <geoff.hutchi...@gmail.com> wrote: >> http://baoilleach.webfactional.com/site_media/ob_api_check/compat_report_21052016.html >> It makes a few mistakes here and there but is accurate in general. > > It's a bit weird about adding optional parameters, e.g. > bool Build(OBMol &mol); > becomes > bool Build(OBMol &mol, bool stereoWarnings = true); > > This isn't an API issue, since a program build to the first will still > recompile. This is an ABI problem, but we've never been too concerned about > that from 2.x to 2.y. > >> I have a few comments to make regarding some of the changes, but will do >> that separately. > > I'm obviously interested in the feedback. It's also useful to make sure that > source documentation was added. > > 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
