From: SourceForge.net <no...@so...> - 2010-07-14 07:51:53
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Patches item #3029352, was opened at 2010-07-14 09:51 Message generated for change (Tracker Item Submitted) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3029352&group_id=20024 Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: master Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Egon Willighagen (egonw) Assigned to: Nobody/Anonymous (nobody) Summary: MDLWriter happily writes bond order 4 which is not supported Initial Comment: Right now, the code uses IBond.ordinal(), causing QUADRUPLE bonds to be written as bond order 4. However, the format does not support quadruple bond orders, and should throw an exception for illegal input. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3029352&group_id=20024 |