Hi RDKitters,
I'm a bit lost with boost::python/RDKit/MacOSX.
I have a boost::python function:
RDKit::ROMol *hydrogen_transformations(const RDKit::ROMol &r);
which is exposed like this:
BOOST_PYTHON_MODULE(pyrogen) {
def("hydrogen_transformations", hydrogen_transformations,
return_value_policy<manage_new_object>());
}
When I run this on my computers (RHEL6, Ubuntu, Fedora), it compiles and runs
fine fine. When Bill Scott tries on his Mac, at run-time he gets:
File "/sw/lib/python2.7/site-packages/coot/pyrogen.py", line 607, in
make_restraints
sane_H_mol = pyrogen_boost.hydrogen_transformations(m_H)
Boost.Python.ArgumentError: Python argument types in
pyrogen_boost.hydrogen_transformations(Mol)
did not match C++ signature:
hydrogen_transformations(RDKit::ROMol)
Where m_H is created like this:
m_H = AllChem.AddHs(m)
and has type:
<class 'rdkit.Chem.rdchem.Mol'>
I'm not following why a Mol is not an RDKit::ROMol.
I'd appreciate any insight.
We are using slightly different versions of Boost (1.54 vs boost1.53.python27)
and RDKit_2014_03_1.
Thanks,
Paul.
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