Searched defs:getUFFTorsionParams (Results 1 – 2 of 2) sorted by relevance
478 bool getUFFTorsionParams(const ROMol &mol, unsigned int idx1, unsigned int idx2, in getUFFTorsionParams() function
204 PyObject *getUFFTorsionParams(const RDKit::ROMol &mol, const unsigned int idx1, in getUFFTorsionParams() function