RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for ForceFields::MMFF::MMFFChgCollection, including all inherited members.
d_bondType | ForceFields::MMFF::MMFFChgCollection | |
d_iAtomType | ForceFields::MMFF::MMFFChgCollection | |
d_jAtomType | ForceFields::MMFF::MMFFChgCollection | |
d_params | ForceFields::MMFF::MMFFChgCollection | |
getMMFFChgParams(const unsigned int bondType, const unsigned int iAtomType, const unsigned int jAtomType) const | ForceFields::MMFF::MMFFChgCollection | inline |
MMFFChgCollection(std::string mmffChg="") | ForceFields::MMFF::MMFFChgCollection |