CDK KNIME Datatypes

Hi,

I would like to use the cell datatypes (MolCell, SDFCell, SMILESCell ...) implemented in CDK KNIME library in a node which I am developing. That is, I would like to generate a column with molecules in Mol format, and would want to instantiate as MolCell.class.

Initially I thought in including the jar

org.knime.chem.types_2.4.0.0029836.jar (included in plugin/ folder of the Eclipse)

in the path of my node, and then to instantiate the DataCell following something like this:

MolCellFactory.create("Molecule content bla lba bla");

but this strategy generates this error attached in this message.

I am not sure how attack this problem. Please I would appreciate any comment, suggestion.

thanks in advance

Oscar

Hi Oscar,

if you are using the KNIME node extension wizard, make sure that the library is defined as dependency in the plugin.xml file ("Required Plug-ins" in Dependency tab). That should do the trick. There is no need to copy and paste the library yourself. (org.knime.chem.types (2.3.0))

Have you tried to use MollCell instead of the MollCellFactory? 

Cheers,

Stephan

Hi Stephan,

Thanks a lot. Your idea works very nice.

PS: MollCel has a private constructor and I have to instantiate through the factory.

Oscar