On Mon, May 9, 2016 at 6:20 AM, Rafal Roszak <rmrmg.c...@gmail.com> wrote:
>
> Is there any how-to, tutorial or other such documentation for RDKit in C++?
>
In my experience, a decent way to approach RDKit on the C++ level is to
figure out how to do what you want on the Python level, and then transfer
that to the C++ calls. Most of the Python objects/functions are just
wrappers around the C++ level calls, so a simple case change (and some
searching for the appropriate header) is often all that's needed. Sometimes
the conversion is more complex, but in those cases the code to do the
Python functionality is typically in utility functions in the Wrap/
directories, and is normally straightforward to follow/copy.
Regards,
-Rocco
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