Re: [Rdkit-discuss] How to have access to python descriptors in C++

2015-11-10 Thread Greg Landrum
The best way would be to rewrite them in C++, but that's also time consuming (which is why it's only happening slowly). In the near term, it is possible to call out to python from within C++ using boost python with a technique known as embedding: http://www.boost.org/doc/libs/1_59_0/libs/python/do

[Rdkit-discuss] How to have access to python descriptors in C++

2015-11-09 Thread Guillaume GODIN
Dear All, When we use the python RDKit version generated descriptors include some chemical functions counting fingerprints. How can I expose those general descriptors (chemical functions) in c++ ? thanks in advance, Best regards, Guillaume GODIN ---