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Searched defs:getMMFFAtomType (Results 1 – 2 of 2) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/Wrap/
H A DPyForceField.h92 unsigned int getMMFFAtomType(unsigned int idx) { in getMMFFAtomType() function
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/MMFF/
H A DAtomTyper.h82 std::uint8_t getMMFFAtomType(const unsigned int idx) { in getMMFFAtomType() function