Chemical Data Processing Library C++ API - Version 1.2.0
CDPL::ForceField::MMFF94TorsionInteraction Member List

This is the complete list of members for CDPL::ForceField::MMFF94TorsionInteraction, including all inherited members.

getAtom1Index() constCDPL::ForceField::MMFF94TorsionInteractioninline
getAtom2Index() constCDPL::ForceField::MMFF94TorsionInteractioninline
getAtom3Index() constCDPL::ForceField::MMFF94TorsionInteractioninline
getAtom4Index() constCDPL::ForceField::MMFF94TorsionInteractioninline
getCenterAtom1Index() constCDPL::ForceField::MMFF94TorsionInteractioninline
getCenterAtom2Index() constCDPL::ForceField::MMFF94TorsionInteractioninline
getTerminalAtom1Index() constCDPL::ForceField::MMFF94TorsionInteractioninline
getTerminalAtom2Index() constCDPL::ForceField::MMFF94TorsionInteractioninline
getTorsionParameter1() constCDPL::ForceField::MMFF94TorsionInteractioninline
getTorsionParameter2() constCDPL::ForceField::MMFF94TorsionInteractioninline
getTorsionParameter3() constCDPL::ForceField::MMFF94TorsionInteractioninline
getTorsionTypeIndex() constCDPL::ForceField::MMFF94TorsionInteractioninline
MMFF94TorsionInteraction(std::size_t term_atom1_idx, std::size_t ctr_atom1_idx, std::size_t ctr_atom2_idx, std::size_t term_atom2_idx, unsigned int tor_type_idx, double tor_param1, double tor_param2, double tor_param3)CDPL::ForceField::MMFF94TorsionInteractioninline
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