From: SourceForge.net <no...@so...> - 2005-01-04 15:06:12
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Bugs item #826942, was opened at 2003-10-20 17:39 Message generated for change (Settings changed) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=120024&aid=826942&group_id=20024 Category: org.openscience.cdk.ringsearch Group: None >Status: Closed Resolution: Works For Me Priority: 2 Submitted By: Christoph Steinbeck (steinbeck) Assigned to: Christoph Steinbeck (steinbeck) Summary: not the correct SSSR found for ... Initial Comment: C1CCC2C(C1)C4CCC3(CCCCC23)(C4) as well as $CDK_HOME/data/mdl figueras-test-buried.mol are reported to produce the wrong ring set. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2004-12-02 10:51 Message: Logged In: YES user_id=25678 I've added a simple entry in RingSearchTest which tests wether four rings are found. That works. A test for the other file was already present and does not fail either. Please verify the status of this bug. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2004-08-25 10:21 Message: Logged In: YES user_id=25678 Can this bug be reproduced with the new SSSR finding algorithm? Please make a JUnit test for it, if it still fails... ---------------------------------------------------------------------- Comment By: Ivan Tubert-Brohman (itubert) Date: 2004-07-04 00:36 Message: Logged In: YES user_id=1020469 The Figueras algorithm has some bugs: see J. Chem. Inf. Comp. Sci. 2004, 44, 323-331. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=120024&aid=826942&group_id=20024 |