On Wed, Jul 18, 2012 at 11:47 PM, John May <[email protected]> wrote:
> It would be good to unify the 'has2DCoordinates' and 'has3DCoordinates'

Absolutely. This is what 'master' is about.

> to behave the same way. Personally I would opt to change 'has2DCoordinates' as
> I can see the use cases for such a method being used more for preventing
> errors then checking molecules with partial atoms.

What about creating one method (for each coord type) that acts like
the new method returning an int, but then return an enum (which did
not exist yet when this method was written), like:

enum CoordinateAvailability {
  none,
  atLeastOne,
  all
}

I know there was a use case for the middle situation, which explain
the split behavior.

But the hardest bit will be to update all the code for the new API.

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

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