Camelia, the Perl 6 bug

IRC log for #cdk, 2010-08-09

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All times shown according to UTC.

Time Nick Message
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09:33 maclean Is converting aromatic rings to double/single bond systems the same as structure resonance generation or tautomer generation?
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09:54 egonw maclean: I guess it is related
09:54 egonw but the conditions are likely somewhat different
09:54 egonw the DeduceBondSystemTool primarily deals with the situation of missing bond orders...
09:54 egonw oh bugger...
09:54 egonw can't resist to write CDK patch...
09:54 maclean :)
09:54 maclean I'm trying to resist this urge, too.
09:55 egonw this will in the long run fix things...
09:55 egonw but in the short run break a lot...
09:55 egonw but it's been post-poned for a a few months now...
09:55 egonw IBond.Order.SINGLE_OR_DOUBLE
09:55 egonw ouch...
09:55 egonw that will hurt...
09:55 maclean Hmmm.
09:56 maclean What use would this alternating bond order have?
09:57 egonw SMILES is the most well-known use case
09:57 egonw c1ccccc1
09:57 maclean what - it can be encoded in a smiles? Or dealing with ambiguous smiles?
09:57 egonw SINGLE_OR_DOUBLE -> SOD
09:58 egonw C1-SOD-C-SOD-C-SOD-C-SOD-C-SOD-C[-SOD]1
09:58 egonw cc -> is a SOD bond
09:58 maclean Ah.
10:00 maclean Well, I guess that goes on the stack of things to do.
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20:14 egonw jbrefort: ah, you got ip6
20:18 jbrefort it seems

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