Re: [OpenBabel-Devel] Convenience functions

Hi Noel, I think I understand your idea, and it's totally compatible with the current design we're following. Indeed, the API is going to be for the atom. In fact, in the actual syntax of the datafile I sent before has an extra column (which I omitted) that specifies the element of the

Re: [OpenBabel-Devel] Convenience functions

The previous discussion was about having such a function in the public API. But anyway, let's say you do use smarts, you can still combine it with a switch statement on element and maybe on something else so that you don't end up testing the oxygen patterns against a nitrogen (this will already

Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms

The discussion over at opensmiles was that both forms are reasonable and Geoff prefers the current behavior, so I'll stick to that. On Thursday, 2 March 2017, Andrew Dalke wrote: > On Mar 2, 2017, at 21:31, Andrew Dalke >