I actually want to remove that option :-). I couple of people have sent me some
example code that had turned it off. I only really added that for debugging.
Anyways, the latest IteratingSMILESReader in the snapshot won’t stop and dumps
the problem input in a property of an empty container -
IteratingSMILESReader.BAD_SMILES_INPUT.
J
On 8 Mar 2014, at 19:26, Rajarshi Guha <gu...@mail.nih.gov> wrote:
> While the SmilesParse has the ability to ignore kekulisation, this doesn't
> seem to be available in the IteratingSMILESReader. Is that the case? or is
> there a way to pass this option to it?
>
> Currently when iterating over a large SMILES file, if it hits an entry such
> as c1cccn1 it (correctly) stops iterating. What I'd like to do is to catch an
> exception and continue on to the next entry
>
> --
> Rajarshi Guha | http://blog.rguha.net
> NIH Center for Advancing Translational Science
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With Perforce, you get hassle-free workflows. Merge that actually works.
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freedom to use Git, Perforce or both. Make the move to Perforce.
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