[Rdkit-devel] New RDKit SWIG wrappers

[Greg L. <gre...@gm...>]

Dear all,

I'm happy to announce the next contribution to the RDKit from NIBR: a
new set of SWIG-based Java wrappers for the RDKit. These wrappers,
developed for us by Entagen, provide a much better coverage of the C++
functionality and are more robust than the demo SWIG wrappers I had
developed as a proof of concept. There are some API differences, so
code that worked with the old wrappers will require a few
modifications to work with the new wrappers.

The new wrappers had been on a branch in svn for the past week or so,
this morning I merged them onto the trunk. They live in
$RDBASE/Code/JavaWrappers

If you're interested in building the wrappers yourself, note that
there's a change in the build process: at the moment you need to put a
copy of junit.jar (from www.junit.org) in the directory
$RDBASE/External/java_lib.

Please give the wrappers a try and let me know what you think.

 Best Regards,
-greg