From: SourceForge.net <no...@so...> - 2011-06-20 23:01:41
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Patches item #3317880, was opened at 2011-06-17 09:04 Message generated for change (Comment added) made by rajarshi 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: cdk-1.4.x >Group: Accepted >Status: Closed >Resolution: Accepted Priority: 5 Private: No Submitted By: gilleain maclean torrance (gilleain) Assigned to: Rajarshi Guha (rajarshi) 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: Rajarshi Guha (rajarshi) Date: 2011-06-20 19:01 Message: Applied and pushed ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2011-06-20 15:18 Message: Rajarshi, please review my patch with unit test. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2011-06-17 14:45 Message: Report seems incorrect, but the test may still be useful. At least it is testing a new situation. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2011-06-17 11:01 Message: Attached is a test, but it works fine. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2011-06-17 10:08 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 09:53 Message: What should the behavior be? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3317880&group_id=20024 |