Hi Jarod, Something like this should work:
#include <GraphMol/ROMol.h> #include <GraphMol/Descriptors/MolDescriptors.h> #include <GraphMol/SmilesParse/SmilesParse.h> #include <iostream> int main() { auto mol = RDKit::SmilesToMol("CCO"); auto mw = RDKit::Descriptors::calcAMW(*mol); std::cout << mw << "\n"; } Hope this helps, Ivan On Mon, May 15, 2023 at 3:00 PM Jarod Younker <jarod_youn...@hotmail.com> wrote: > Can one calculate average molecular weight on an ROMol or RWMol in the C++ > implementation of RDKit? If yes, how? > > Sent from my iPhone > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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