Great, because I wanted to talk about atom indexing. Just kidding....
However, I would like to replace the current usage of _impval as a
structure invariant, with _imph instead. I think Chris looked into the
possibility of doing this a long time ago. To my mind, this as the number
one problem with the library (though I guess everyone has their favourite).
I don't know if I need to go why I feel that way, but I'm happy to expand
on this. As a teaser, see the code for OBAtom.ImplicitHydrogenCount(),
which would be replaced with returning _imph.
I remember Chris saying that he felt that surprisingly few changes were
necessary to make this happen. He may be right.
Regards,
- Noel
On 10 Feb 2017 6:20 p.m., "Geoffrey Hutchison" <geoff.hutchi...@gmail.com>
wrote:
> I would be just fine making 2017 the target for 3.0 and some level of API
> breaks and cleanups. There are already a pile of methods marked
> “deprecated” in the code.
>
> I don’t think it’s worth changing atom indexing - but anything else should
> be on the table.
>
> -Geoff
>
> > This is an API breakage, but only because these internal
> > implementation functions were exposed. I think the time might be ripe
> > for a couple of API cleanups, not for the sake of it, but where they
> > limit or affect the toolkit's usage.
>
>
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