So, to wind up and answer the question... and for future reference for myself in 5 years
time perhaps.
I did indeed need to wrap the RDKit::ROMol * - with a boost shared pointer.
RDKit::ROMol *cm_p = new RDKit::ROMol(rdkm);
boost::shared_ptr xx(cm_p);
Oh good grief...
I did a bit of googling: "python::object RDKit::ROMol" to see if I could find someone having
similar problems:
The first non-rdkit page was this:
ftp://ftp.ccp4.ac.uk/ccp4/7.0/unpacked/checkout/coot-0.8.2/lbg/qed-interface.cc
i.e... Just what I needed - hooray - it was the
Hi Greg,
Thanks for your prompt response.
I'm pretty sure that my setup/libraries and importing is fine - my other
boost::python-related finagling is working.
I think I want to do the opposite of extract(). After a bit more reading, it might be to do
with the return value policy and/or a boo
It's been a while since I've seen one of these, but could it be that you
either haven't imported rdkit.Chem (in Python) before calling the function
that returns the RDKit molecule or that your extension module is linked
against a different rdkit library than the rdkit extension module that
you're u
