From: SourceForge.net <no...@so...> - 2004-04-16 14:12:24
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Bugs item #936362, was opened at 2004-04-16 16:12 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=936362&group_id=20024 Category: org.openscience.cdk.layout Group: None Status: Open Resolution: None Priority: 9 Submitted By: Egon Willighagen (egonw) Assigned to: Christoph Steinbeck (steinbeck) Summary: AtomPlacer cannot deal with placing a third atom Initial Comment: The AtomPlacer has problems when adding a third carbon to the center carbon of a propane (CCC) molecule. The problem is around line 203 where the 'occupied direction' is calculated. In case of linear molecules with equals bond lengths, this vector has a zero length, and the AtomPlacer cannot determine a good angle then. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=120024&aid=936362&group_id=20024 |