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[Cdk-devel] [ cdk-Patches-3546414 ] GeometryTools 2D/3D check unification [master]
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From: SourceForge.net <no...@so...> - 2012-10-05 14:28:23
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Patches item #3546414, was opened at 2012-07-20 12:01 Message generated for change (Comment added) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3546414&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: master >Group: Accepted >Status: Closed >Resolution: Accepted Priority: 5 Private: No Submitted By: John May (jwmay) Assigned to: Nobody/Anonymous (nobody) Summary: GeometryTools 2D/3D check unification [master] Initial Comment: This patch (for master) unifies the behaviour of GeometryTools.has2DCoordinates() and GeometryTools.has3DCoordinates(). - the method now will return true only if all atoms in the container have 2D coordinates (or 3D for the 3D method). - adds a new enumeration to GeometryTools (CoordinateCoverage) which is returned from the get2DCoordinateCoverage (equivalent 3D method also). - the GeometryToolsTest was added to MStandardTests - several unit tests for the new methods were written - marked has2DCoordinatesNew for deprecation - small change in AtomPlacer that takes advantage of the \'has2DCoordinates\' behaviours - other uses in CDK (tests) - CML2Test needed no changes - JumboTest no changes - StructureDiagramGenerator no changes I used tools/extractTestStats.bsh to overview all tests, removing the times and doing a \'diff\' pre/post patch shows the following: 7c7 < standard: run=644 failed=7 error=2 --- > standard: run=688 failed=8 error=2 16c16 < smiles: run=257 failed=7 error=0 --- > smiles: run=257 failed=7 error=1 46c46 < total: run=17733 failed=78 error=17 --- > total: run=17777 failed=79 error=18 The extra fail on standard is due to a test which will randomly fail (will post bug on this) and the other error on smiles was from a timeout. J ---------------------------------------------------------------------- >Comment By: Egon Willighagen (egonw) Date: 2012-10-05 07:28 Message: Has been applied. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2012-07-20 14:31 Message: Looks good! I'm a fan of your patches :) Let me know what you want to do with those suggestions... I left them as comments in your GitHub branch. ---------------------------------------------------------------------- Comment By: John May (jwmay) Date: 2012-07-20 12:04 Message: I also published the branch here (sorry for double post - sf sent too early): https://github.com/johnmay/cdk/commits/patch/geometry-tools-unification ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3546414&group_id=20024 |