Hi all,
I am trying to write a C++ function to examine an RDKit::ROMol... but
running it from a python script:
m = Chem.MolFromSmilesString('Oc1ccccc1')
do_cool_stuff(m)
my C++ (which gets swigged) is:
PyObject *do_cool_stuff(PyObject *pyo) {
RDKit::ROMol *mol = magic(pyo);
inner_cool_stuff(mol);
...
}
What is magic() ? I've a feeling that it should be straightforward (to
use, at least) - with exception handling, I imagine. I've had a look at
various Wrap code, but I can't decode it. pyo is not a tuple, I know
that much. Sorry to say that my wrapping skills leave something to be
desired.
Cheers,
Paul.
------------------------------------------------------------------------------
Live Security Virtual Conference
Exclusive live event will cover all the ways today's security and
threat landscape has changed and how IT managers can respond. Discussions
will include endpoint security, mobile security and the latest in malware
threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss