Hi Geoff,
I've been looking into enabling support for OBReaction from Python, and
started with excavating what was previously tried.
Apparently, I added support back in 2013 via
https://github.com/openbabel/openbabel/pull/21. The catch with Swig is not
only are all OBMols turned into shared_ptrs, but everything in the
inheritance hierarchy too.
Reinis Danne found that this caused a pretty severe regression (mol +=
molb) and reverted the Python bindings changes in
https://github.com/openbabel/openbabel/pull/41.
I'm less optimistic now that there is a solution to this that involves
keeping the shared_ptrs, but am open to any ideas.
Regards,
Noel
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