From: SourceForge.net <no...@so...> - 2004-12-02 08:18:01
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Bugs item #1077380, was opened at 2004-12-02 08:17 Message generated for change (Tracker Item Submitted) made by Item Submitter You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=120024&aid=1077380&group_id=20024 Category: cdk-core module Group: None Status: Open Resolution: None Priority: 5 Submitted By: Miguel Rojas Cherto (miguelrojasch) Assigned to: Christoph Steinbeck (steinbeck) Summary: clone method molecule Initial Comment: I have one problem if I will clone a molecule. This problem is if I have radical or single Electron in my molecule. I have only modify the clone method - molecule class. He check for each atom its characteristics. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=120024&aid=1077380&group_id=20024 |
From: SourceForge.net <no...@so...> - 2004-12-02 09:34:26
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Bugs item #1077380, was opened at 2004-12-02 09:17 Message generated for change (Comment added) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=120024&aid=1077380&group_id=20024 Category: cdk-core module Group: None Status: Open >Resolution: Accepted Priority: 5 Submitted By: Miguel Rojas Cherto (miguelrojasch) >Assigned to: Egon Willighagen (egonw) Summary: clone method molecule Initial Comment: I have one problem if I will clone a molecule. This problem is if I have radical or single Electron in my molecule. I have only modify the clone method - molecule class. He check for each atom its characteristics. ---------------------------------------------------------------------- >Comment By: Egon Willighagen (egonw) Date: 2004-12-02 10:34 Message: Logged In: YES user_id=25678 I've adapted the AtomContainer to explicitely clone the SingleElectron's too. Please test if that fixes things. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=120024&aid=1077380&group_id=20024 |
From: SourceForge.net <no...@so...> - 2004-12-06 21:29:32
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Bugs item #1077380, was opened at 2004-12-02 09:17 Message generated for change (Comment added) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=120024&aid=1077380&group_id=20024 Category: cdk-core module Group: None >Status: Closed >Resolution: Fixed Priority: 5 Submitted By: Miguel Rojas Cherto (miguelrojasch) Assigned to: Egon Willighagen (egonw) Summary: clone method molecule Initial Comment: I have one problem if I will clone a molecule. This problem is if I have radical or single Electron in my molecule. I have only modify the clone method - molecule class. He check for each atom its characteristics. ---------------------------------------------------------------------- >Comment By: Egon Willighagen (egonw) Date: 2004-12-06 22:29 Message: Logged In: YES user_id=25678 Assumed fixed. Please reopen if problem remains. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2004-12-02 10:34 Message: Logged In: YES user_id=25678 I've adapted the AtomContainer to explicitely clone the SingleElectron's too. Please test if that fixes things. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=120024&aid=1077380&group_id=20024 |