Searched defs:getDistanceMat (Results 1 – 1 of 1) sorted by relevance
167 double *getDistanceMat(const ROMol &mol, bool useBO, bool useAtomWts, in getDistanceMat() function235 double *getDistanceMat(const ROMol &mol, const std::vector<int> &activeAtoms, in getDistanceMat() function