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From: SourceForge.net <no...@so...> - 2011-09-25 19:34:12
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Patches item #3413831, was opened at 2011-09-25 21:34 Message generated for change (Tracker Item Submitted) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3413831&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: Needs Review Status: Open Resolution: None Priority: 5 Private: No Submitted By: Egon Willighagen (egonw) Assigned to: Nobody/Anonymous (nobody) Summary: Test robustness of mol descriptors against disconnected Initial Comment: A patch to test that descriptors do not throw an exception when given a disconnected structure. When applied, run the MqsarmolecularTests to verify that you do not get any new failing unit tests either. It seem that all descriptors are now robust against disconnected structure input. Note that the test does not check the calculated results, as some descriptors may still return a numerical value. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3413831&group_id=20024 |