Re: [Cdk-devel] IMPORTANT: API discussion on iterating over IAtom/IChemModel/etc (was: cdk: [9667] branches/speleo3/iterable/...)

[Rajarshi G. <rg...@in...>]

On Dec 25, 2007, at 6:47 AM, Egon Willighagen wrote:

> On Dec 24, 2007 5:23 PM, Rajarshi Guha <rg...@in...> wrote:
>> Furthermore, if the I*Set classes are going to implement Iterable
>> (which I fully support) then the methods like atoms(), bonds() etc on
>> IAtomContainer should also be iterables (and not iterators) to
>> maintain syntactic consistency.
>
> OK, good. So, we then will have:
>
> foreach (IAtom atom : someAtomContainer.atoms() {};
> foreach (IBond bond : someAtomContainer.bonds() {};
>
> ... etc...
>
> and
>
> foreach (IChemModel model : someChemSequence() {};
> foreach (IMolecule molecule : someMoleculeSet() {};

I assume the above should be

foreach (IChemModel model : someChemSequence) {}
foreach (IMolecule molecule : someMoleculeSet) {};

> So, we'll have two situations:
>
> 1. when the IChemObject is a true set, then the IChemObject interface
> extends Iterable directly
> 2. otherwise, methods like .atoms() provide a Class implementing  
> Iterable
>
> Situation 1 applies to: IAtomContainerSet, IChemSequence,
> IMoleculeSet, IReactionSet...
> Situation 2 applies to IAtomContain, IChemModel

Correct

> would be useful to have a nightly online for the branch
> then... because removing all this deprecated code will likely take
> some time...

http://cheminfo.informatics.indiana.edu/~rguha/code/java/nightly- 
iterable/

Compiles are set for 1pm, 1am EST

Right now, the build fails.

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Rajarshi Guha  <rg...@in...>
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A bug in the code is worth two in the documentation.