CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction Class Reference

#include <MMFF94OutOfPlaneBendingInteraction.hpp>

Public Member Functions
	MMFF94OutOfPlaneBendingInteraction (std::size_t term_atom1_idx, std::size_t ctr_atom_idx, std::size_t term_atom2_idx, std::size_t oop_atom_idx, double force_const)
std::size_t	getTerminalAtom1Index () const
std::size_t	getCenterAtomIndex () const
std::size_t	getTerminalAtom2Index () const
std::size_t	getOutOfPlaneAtomIndex () const
std::size_t	getAtom1Index () const
std::size_t	getAtom2Index () const
std::size_t	getAtom3Index () const
std::size_t	getAtom4Index () const
double	getForceConstant () const

Constructor & Destructor Documentation

MMFF94OutOfPlaneBendingInteraction()

CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::MMFF94OutOfPlaneBendingInteraction ( std::size_t  term_atom1_idx, std::size_t  ctr_atom_idx, std::size_t  term_atom2_idx, std::size_t  oop_atom_idx, double  force_const  )

inline

Member Function Documentation

getTerminalAtom1Index()

std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getTerminalAtom1Index ( ) const

inline

getCenterAtomIndex()

std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getCenterAtomIndex ( ) const

inline

getTerminalAtom2Index()

std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getTerminalAtom2Index ( ) const

inline

getOutOfPlaneAtomIndex()

std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getOutOfPlaneAtomIndex ( ) const

inline

getAtom1Index()

std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getAtom1Index ( ) const

inline

getAtom2Index()

std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getAtom2Index ( ) const

inline

getAtom3Index()

std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getAtom3Index ( ) const

inline

getAtom4Index()

std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getAtom4Index ( ) const

inline

getForceConstant()

double CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getForceConstant ( ) const

inline

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The documentation for this class was generated from the following file:

• MMFF94OutOfPlaneBendingInteraction.hpp