Re: [Cdk-devel] Parsing InChi with only 2 segments

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

On Mon, May 25, 2015 at 11:21 PM, John M <joh...@gm...> wrote:
> Correct me if I'm wrong but that InChIReader doesn't look like it is parsing
> hydrogen/stereo layers right? In-fact there looks to be a lot wrong...
> tokenzing the input (the bad way) and then sub-stringing the strings and
> then parsing them bit-by-bit. Not sure on the history of this but surely it
> should just call the InChIToStructure... could even handle the AuxInfo which
> looks to be hinted at but not implemented.

I think you are very much right... as I said, it needs more love...
practically, it needs to be using the InChIToStructure class, IMHO...
but I did not have time to make that patch yet...

Egon

-- 
E.L. Willighagen
Department of Bioinformatics - BiGCaT
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