Re: [Cdk-jchempaint] JCP doesn't work with fresh CDK

[Stefan K. <ste...@eb...>]

Hi Konstantin,
there were major changes in cdk and it seems some things got broken when 
adopting JCP for them. I will fix this today.
Stefan

On Friday 16 April 2010 10:41:56 Konstantin Tokarev wrote:
> I've taken fresh CDK from git http://www.ebi.ac.uk/steinbeck-srv/git/cdk
> But JChemPaint, build with it, doesn't start - exception occurs:
>
> uncaught exception: java.lang.IllegalArgumentException: Only IMolecule's
> can be stored in an IMoleculeSet java.lang.IllegalArgumentException: Only
> IMolecule's can be stored in an IMoleculeSet at
> org.openscience.cdk.MoleculeSet.addAtomContainer(MoleculeSet.java:81) at
> org.openscience.jchempaint.application.JChemPaint.emptyModel(JChemPaint.jav
>a:217) at
> org.openscience.jchempaint.application.JChemPaint.showEmptyInstance(JChemPa
>int.java:209) at
> org.openscience.jchempaint.application.JChemPaint.main(JChemPaint.java:199)
>
> JChemPaint.java:217
>   chemModel.getMoleculeSet().addAtomContainer(
>         chemModel.getBuilder().newInstance(IAtomContainer.class));



-- 
Stefan Kuhn B. Sc. M. A.
Software Engineer in the Chemoinformatics and Metabolism Team
European Bioinformatics Institute (EBI)
Wellcome Trust Genome Campus
Hinxton, Cambridge CB10 1SD UK
Phone +44 1223 49 2657
Fax +44 (0)1223 494 468