OK, applied and pushed. At least the error below (which is now testInitiate_IAtomContainerSet_IAtomContainerSet) passes fine out here.
Nice - so we're one step to a leaner API :) On Tue, Dec 13, 2011 at 3:05 PM, Egon Willighagen <[email protected]> wrote: > It compiles, but I think we'll have some serious debugging to do... I > was already looking at this (fails before this patch): > > Testcase: > testInitiate_IMoleculeSet_IMoleculeSet(org.openscience.cdk.reaction.type.AdductionProtonLPReactionTest): > FAILED > The products for [AdductionProtonLP] reaction is at least one > reaction expected. > junit.framework.AssertionFailedError: The products for > [AdductionProtonLP] reaction is at least one reaction expected. > at > org.openscience.cdk.reaction.ReactionProcessTest.testInitiate_IMoleculeSet_IMoleculeSet(ReactionProcessTest.java:322) > > in the reaction module... haven't figured out what goes wrong here... > > But I think we'll see more bugs uncovered by our patches... that's > what happened for with these kind of large rewrites of CDK code in the > past... > > Going offline now... > > Egon > > -- > Dr E.L. Willighagen > Postdoctoral Researcher > Institutet för miljömedicin > Karolinska Institutet (http://ki.se/imm) > Homepage: http://egonw.github.com/ > LinkedIn: http://se.linkedin.com/in/egonw > Blog: http://chem-bla-ics.blogspot.com/ > PubList: http://www.citeulike.org/user/egonw/tag/papers -- Rajarshi Guha NIH Chemical Genomics Center ------------------------------------------------------------------------------ 10 Tips for Better Server Consolidation Server virtualization is being driven by many needs. But none more important than the need to reduce IT complexity while improving strategic productivity. Learn More! http://www.accelacomm.com/jaw/sdnl/114/51507609/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
