On Mon, Apr 30, 2012 at 1:39 PM, Paul Emsley <paul.ems...@bioch.ox.ac.uk> wrote:
> On 30/04/12 08:39, Uwe Hoffmann wrote:
>> Hi,
>> Am 29.04.2012 16:19, schrieb Paul Emsley:
>>
>>> 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);
>> using a reference instead of pointer access:
>>
>> RDKit::ROMol&mol = boost::python::extract<RDKit::ROMol&>(m);
>>
>>
>
> Ah! Magic! Just what I wanted.
>
> (actually, I forgot that Greg was away, or I would have held back on
> sending this :-)
I'm glad you sent it while I *was* away! It would have taken me a
while to figure out the answer and it's great that Uwe got there
first. :-)
Thanks Uwe!
-greg
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