Hehe,
I'm actually okay with ChemicalEntity but as a more appropriate name for the
existing ChemObject (which AtomContainer already extends).
I think 1.7+ we'll need a long think about the object hierarchy and tighten up
the definitions a bit. I have no problem representing the complexity of
chemistry
but it shouldn't try to encode an ontology in the classes.
J
On 7 Oct 2013, at 10:18, Egon Willighagen <egon.willigha...@gmail.com> wrote:
> On Mon, Oct 7, 2013 at 11:00 AM, John May <john.wilkinson...@gmail.com> wrote:
>> We're using proportional representation right? :-)
>>
>> Molecule 3, ChemicalEntity 3 - http://strawpoll.me/514829/r
>> Molecule 13, AtomContainer 4 - http://strawpoll.me/501772/r
>
> I'm fine with whatever the community agrees with, also if it is not my
> personal favorite. I can always fork :)
>
> Egon
>
>
> --
> Dr E.L. Willighagen
> Postdoctoral Researcher
> Department of Bioinformatics - BiGCaT
> Maastricht University (http://www.bigcat.unimaas.nl/)
> Homepage: http://egonw.github.com/
> LinkedIn: http://se.linkedin.com/in/egonw
> Blog: http://chem-bla-ics.blogspot.com/
> PubList: http://www.citeulike.org/user/egonw/tag/papers
> ORCID: 0000-0001-7542-0286
>
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