Re: [Cdk-devel] SMILES parse and parsing

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

On Jan 13, 2009, at 2:51 AM, Egon Willighagen wrote:

> On Mon, Jan 12, 2009 at 9:28 PM, Rajarshi Guha <rg...@in...>  
> wrote:
>> Hi, I seem to recall that the CDK policy was to do just enough and no
>> more. In that vein why does the SMILES parser perform atom typing, h
>> addition and aromaticity perception in the parseSmiles method?
>
> The SMILES parser is indeed somewhat diverging from the general
> scheme... if not mistaken, this was decided on the last in the past
> year... it should have been recorded as RFC... now I can only point
> the the ML archived :(

Aah, OK - should be a wiki page

BTW, would it be OK to make the private parseSmiles method public  
(possibly renamed) so that we can access the parsed-only molecule?

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Rajarshi Guha  <rg...@in...>
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