Bugs item #3107517, was opened at 2010-11-11 21:10 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3107517&group_id=40728
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: Library Functions Group: 2.3.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: Noel O'Boyle (baoilleach) Assigned to: Nobody/Anonymous (nobody) Summary: myAtom.IsConnected(myAtom) unexpected behaviour Initial Comment: >From Andrew Dalke: If you have something like "CNOS" then C.IsConnected(C) is true. I did not expect that. This is because IsConnected checks to see if the target is any of the atoms of either side of the bonds that are connected to C. And of course, C is always one of the atoms connected to a bond of C. This has a downstream consequence in that C.IsOneFour(C) == True If I read the code right, the C in "CN" will also be in a 1-4 relationship with itself. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3107517&group_id=40728 ------------------------------------------------------------------------------ Centralized Desktop Delivery: Dell and VMware Reference Architecture Simplifying enterprise desktop deployment and management using Dell EqualLogic storage and VMware View: A highly scalable, end-to-end client virtualization framework. Read more! http://p.sf.net/sfu/dell-eql-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel