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RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for ForceFields::MMFF::MMFFTorCollection, including all inherited members.
| d_iAtomType | ForceFields::MMFF::MMFFTorCollection | |
| d_jAtomType | ForceFields::MMFF::MMFFTorCollection | |
| d_kAtomType | ForceFields::MMFF::MMFFTorCollection | |
| d_lAtomType | ForceFields::MMFF::MMFFTorCollection | |
| d_params | ForceFields::MMFF::MMFFTorCollection | |
| d_torType | ForceFields::MMFF::MMFFTorCollection | |
| getMMFFTorParams(const MMFFDefCollection *mmffDef, const std::pair< unsigned int, unsigned int > torType, const unsigned int iAtomType, const unsigned int jAtomType, const unsigned int kAtomType, const unsigned int lAtomType) const | ForceFields::MMFF::MMFFTorCollection | inline |
| MMFFTorCollection(const bool isMMFFs, std::string mmffTor="") | ForceFields::MMFF::MMFFTorCollection |