Re: [Rdkit-discuss] PyObject * - RDKit::ROMol *

2012-05-05 Thread Greg Landrum
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 =

Re: [Rdkit-discuss] PyObject * - RDKit::ROMol *

2012-04-30 Thread Uwe Hoffmann
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('Oc1c1') do_cool_stuff(m) my C++ (which gets swigged) is: PyObject *do_cool_stuff(PyObject *pyo) {

Re: [Rdkit-discuss] PyObject * - RDKit::ROMol *

2012-04-30 Thread Paul Emsley
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('Oc1c1') do_cool_stuff(m) my C++ (which gets swigged) is:

[Rdkit-discuss] PyObject * - RDKit::ROMol *

2012-04-29 Thread Paul Emsley
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('Oc1c1') do_cool_stuff(m) my C++ (which gets swigged) is: PyObject *do_cool_stuff(PyObject *pyo) { RDKit::ROMol *mol = magic(pyo);