Hi Gonzalo, I think the problem could be that the function passed with the 'metric' argument of DataStruct.FingerprintSimilarity is called with two only parameters, but the signature of the TverskySimilarity function is different and two additional parameters are required.
Maybe you can work around this with a small wrapper function: In [10]: DataStructs.FingerprintSimilarity(fps[0], fps[1], ....: metric=lambda x, y: DataStructs.TverskySimilarity(x, y, 0.01, 0.99)) or call the similarity function directly, as you did in C++: In [9]: DataStructs.TverskySimilarity(fps[0], fps[1], 0.01, 0.99) Out[9]: 0.9933774834437088 HTH, Best regards, Riccardo ------------------------------------------------------------------------------ Try New Relic Now & We'll Send You this Cool Shirt New Relic is the only SaaS-based application performance monitoring service that delivers powerful full stack analytics. Optimize and monitor your browser, app, & servers with just a few lines of code. Try New Relic and get this awesome Nerd Life shirt! http://p.sf.net/sfu/newrelic_d2d_may _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
