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Inconsistent inner representation #7

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artemkondyukov opened this issue Apr 11, 2017 · 2 comments
Open

Inconsistent inner representation #7

artemkondyukov opened this issue Apr 11, 2017 · 2 comments

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@artemkondyukov
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ghci> let b = readSmiles "c1ccccc1C(=O)O"
ghci> case b of Right val -> writeSmiles val
"c"
ghci>

It seems that the internal representation of SMILES string lacks proper handling of cyclic structures.
@klangner
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Hi Artem

As I understand you want to give it a try. That's great :-)

Let me know if you need any help or need some explanation regarding the parser.

@artemkondyukov
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Yeah, sure, I'll work this out. Thank you.
However, right now I'm implementing excited/non-excited states of electron shell.

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@klangner @artemkondyukov