On 11/15/2018 11:41 AM, Francis Atkinson wrote: > products = rxn.RunReactants([mol], maxProducts=1) > Boost.Python.ArgumentError: Python argument types in > ChemicalReaction.RunReactants(ChemicalReaction, list) > did not match C++ signature: > RunReactants(RDKit::ChemicalReaction*, boost::python::list) > RunReactants(RDKit::ChemicalReaction*, boost::python::tuple) > > I presume I am missing something, but what?!
It doesn't list a candidate w/ the 3rd parameter so I'd say maxProducts is not exposed to python in your version. ICBW, though: c++ - boost - swig - python is not something I'd want to ever become familiar with... -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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