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#27 upgrade to jni-inchi 0.5


Sam has released a new version of his bridge to the InChI libraries, and version 0.5 adds support for 64 bit systems, as well as OS/X, and on top of that InChIKey generation. Attached a patch for the cdk-1.2.x/ branch.

Please verify by two senior developers (and anyone else), as I like to see it included in the cdk-1.2.x/ branch, which is formally in freeze. The patch does not change any API methods, except for adding a getInChIKey() method (see patch). A unit test assertion for InChIKey generation is added.

The full git branch is up here:


  • Egon Willighagen

    Patch to upgrade to JNI-InChI 0.5.

  • Rajarshi Guha

    Rajarshi Guha - 2008-12-10

    Patch looks fine to me. Has this been tested on OS X or Linux 64 bit?

  • Egon Willighagen

    Excellent point! We need 64bit and OS/X Nightly servers :)

    Ummm... what we also need, is a Nightly meta server, which keeps track of different instances of nightly's... and maybe put (comparable) test results in a table... which would make it easier to compare platform dependencies, as well as an easy way to autocompare (comparable) branches... say a patch branch for cdk1.2.x/... not so much thinking about comparing trunk with cdk1.2.x/ here...

  • Egon Willighagen

    OS/X works, 32 bit and 64 bit.

    Linux 64bit has been reported not to work from within Bioclipse.

  • Rajarshi Guha

    Rajarshi Guha - 2009-01-20

    Looks good - it's be useful to include a note in the docs regarding 64 bit Linux (I don't have a 64 bit OS anymore to test on)

  • Stefan Kuhn

    Stefan Kuhn - 2009-02-06

    Looks good. Not tested the 64bit stuff working.

  • Egon Willighagen

    Stefan, Rajarshi, thanx for the review!


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