Re: [Cdk-devel] Nightly for the SMSD patch

[Egon W. <ego...@gm...>]

Hi Rajarshi,

On Fri, Nov 13, 2009 at 3:43 AM, Rajarshi Guha <raj...@gm...> wrote:
> * Will the patch simplify the API? For example, EBIMDLReader and
> EBIAtomContainerManipulator seem to replicate (though I see the lattr
> adds some modifications) CDK functionality. Ideally if these classes
> just replicate CDK functionality they should be removed. And if they
> add extra functionality, we could consider merging it into the
> appropriate class

Yes, I agree with this. I have seen that too.

It's good that you bring this up, because this should likely be done
*before* the full JavaDoc efforts. But then again, JavaDoc would be
useful in making sure about the overlap of functionality...

Another area where I think the code needs rewriting is where
IAtomMatcher and IBondMatcher are used, which could be replaced by the
CDK native IQueryAtom and IQueryBond interfaces...  guessing from the
interface names, the scope is identical...

I would suggest, in good Open Source habits... 'show me the code'
applies. If you believe you can improve the code, make a patch (git
format-patch) and send it to Syed, who is merge master for this patch
branch.

Egon

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