Chemical Data Processing Library C++ API - Version 1.1.1
CDPL::ForceField::MMFF94AngleBendingInteraction Member List

This is the complete list of members for CDPL::ForceField::MMFF94AngleBendingInteraction, including all inherited members.

getAngleTypeIndex() constCDPL::ForceField::MMFF94AngleBendingInteractioninline
getAtom1Index() constCDPL::ForceField::MMFF94AngleBendingInteractioninline
getAtom2Index() constCDPL::ForceField::MMFF94AngleBendingInteractioninline
getAtom3Index() constCDPL::ForceField::MMFF94AngleBendingInteractioninline
getCenterAtomIndex() constCDPL::ForceField::MMFF94AngleBendingInteractioninline
getForceConstant() constCDPL::ForceField::MMFF94AngleBendingInteractioninline
getReferenceAngle() constCDPL::ForceField::MMFF94AngleBendingInteractioninline
getTerminalAtom1Index() constCDPL::ForceField::MMFF94AngleBendingInteractioninline
getTerminalAtom2Index() constCDPL::ForceField::MMFF94AngleBendingInteractioninline
isLinearAngle() constCDPL::ForceField::MMFF94AngleBendingInteractioninline
MMFF94AngleBendingInteraction(std::size_t term_atom1_idx, std::size_t ctr_atom_idx, std::size_t term_atom2_idx, unsigned int angle_type_idx, bool linear, double force_const, double ref_angle)CDPL::ForceField::MMFF94AngleBendingInteractioninline
setReferenceAngle(double angle)CDPL::ForceField::MMFF94AngleBendingInteractioninline
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