Substructure Highlighting Help

[Ryan Lougee]

Hi All,

I was interested in making an open source tool for substructure highlighting. I'm not sure there is a great way to do this currently.

So far I am working in python, and I am able to highlight a single substructure from a Smarts:

However, I have not been able to achieve a couple goals:

 1) highlight multiple instances on the same substructure

 2) highlight different substructures within the same molecule

I'm not too familiar with C++, but it looks like I could just switch the "find_all_embeddings" bool to True in "molecule/src/molecule_tautomer_substructure_matcher.cpp" or a related directory. That might achieve my first goal but I'm not sure how I might accomplish the second.

So, is it possible to do these things in python or should I make a new branch and start learning C++?

Thanks,

-Ryan