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[Cdk-devel] [ cdk-Bugs-772316 ] minor bug in cdk-validate
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From: SourceForge.net <no...@so...> - 2003-09-03 14:06:41
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Bugs item #772316, was opened at 2003-07-16 15:48 Message generated for change (Settings changed) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=120024&aid=772316&group_id=20024 Category: None Group: None >Status: Closed Resolution: None Priority: 5 Submitted By: Denissen, Harm (harmdeni) Assigned to: Egon Willighagen (egonw) Summary: minor bug in cdk-validate Initial Comment: When using cdk-validate on a sulfor atom it sometimes says that the sulfar atom has: "<ERROR> Atom S has an unfulfilled valency" But this isn't correct: it is a sulfar molecull that has more then 2 bonds but it also correct. see for exmaple molecuul: 94-19-9 (2 sulfars: one with 2 bonds and one with 6) ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2003-07-16 15:50 Message: Logged In: YES user_id=25678 The problem can be traced back to SaturationChecker.isSaturated() that only checks 1 oxidation state, based on the symbol. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=120024&aid=772316&group_id=20024 |