Chemical Data Processing Library C++ API - Version 1.2.0
CDPL::ForceField::MMFF94StretchBendInteraction Member List

This is the complete list of members for CDPL::ForceField::MMFF94StretchBendInteraction, including all inherited members.

getAtom1Index() constCDPL::ForceField::MMFF94StretchBendInteractioninline
getAtom2Index() constCDPL::ForceField::MMFF94StretchBendInteractioninline
getAtom3Index() constCDPL::ForceField::MMFF94StretchBendInteractioninline
getCenterAtomIndex() constCDPL::ForceField::MMFF94StretchBendInteractioninline
getIJKForceConstant() constCDPL::ForceField::MMFF94StretchBendInteractioninline
getKJIForceConstant() constCDPL::ForceField::MMFF94StretchBendInteractioninline
getReferenceAngle() constCDPL::ForceField::MMFF94StretchBendInteractioninline
getReferenceLength1() constCDPL::ForceField::MMFF94StretchBendInteractioninline
getReferenceLength2() constCDPL::ForceField::MMFF94StretchBendInteractioninline
getStretchBendTypeIndex() constCDPL::ForceField::MMFF94StretchBendInteractioninline
getTerminalAtom1Index() constCDPL::ForceField::MMFF94StretchBendInteractioninline
getTerminalAtom2Index() constCDPL::ForceField::MMFF94StretchBendInteractioninline
MMFF94StretchBendInteraction(std::size_t term_atom1_idx, std::size_t ctr_atom_idx, std::size_t term_atom2_idx, unsigned int sb_type_idx, double ref_angle, double ref_length1, double ref_length2, double ijk_force_const, double kji_force_const)CDPL::ForceField::MMFF94StretchBendInteractioninline
setReferenceAngle(double angle)CDPL::ForceField::MMFF94StretchBendInteractioninline
setReferenceLength1(double length)CDPL::ForceField::MMFF94StretchBendInteractioninline
setReferenceLength2(double length)CDPL::ForceField::MMFF94StretchBendInteractioninline
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