Hi Egon, looks like a good and extensive unit test that covers the SMARTS language quite well.
Thank you Christian On Apr 21, 2010, at 12:20 PM, Egon Willighagen wrote: > Hi Christian, > > On Wed, Apr 21, 2010 at 12:14 PM, Noel O'Boyle <[email protected]> wrote: > Do you mean a validation test set? I don't think there is any standard set. > You could take a look at the test suites of the various BO projects > (OpenBabel, CDK, RDKit, even JOELib) and put one together. > > The CDK has an extensive set of tests in this class: > > http://github.com/egonw/cdk/blob/master/src/test/org/openscience/cdk/smiles/smarts/parser/SMARTSSearchTest.java > > Regards, > > Egon > > -- > Post-doc @ Uppsala University > Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg > Homepage: http://egonw.github.com/ > Blog: http://chem-bla-ics.blogspot.com/ > PubList: http://www.citeulike.org/user/egonw/tag/papers --- H.-Christian Ehrlich Zentrum für Bioinformatik, Universität Hamburg Bundesstr. 43 22761 Hamburg, Germany www.zbh.uni-hamburg.de
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