From: SourceForge.net <no...@so...> - 2011-06-17 18:44:52
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Patches item #3317880, was opened at 2011-06-17 15:04 Message generated for change (Settings changed) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3317880&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: None Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: gilleain maclean torrance (gilleain) Assigned to: Egon Willighagen (egonw) Summary: Molecule throwing UnsupportedOperationException Initial Comment: In CDK1.3.8, when the getLonePairCount method is called on the Molecule class, it throws an UnsupportedOperationException. This is especially a problem in the CDKAtomTypeMatcher. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2011-06-17 17:01 Message: Attached is a test, but it works fine. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2011-06-17 16:08 Message: It should not give that exception. I asked Gilleain to file a bug report, and I am looking at it. ---------------------------------------------------------------------- Comment By: Rajarshi Guha (rajarshi) Date: 2011-06-17 15:53 Message: What should the behavior be? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3317880&group_id=20024 |