CDPL::ForceField::MMFF94ElectrostaticInteraction Class Reference

#include <MMFF94ElectrostaticInteraction.hpp>

Public Member Functions
	MMFF94ElectrostaticInteraction (std::size_t atom1_idx, std::size_t atom2_idx, double atom1_chg, double atom2_chg, double scale_fact, double de_const, double dist_expo)
std::size_t	getAtom1Index () const
std::size_t	getAtom2Index () const
double	getAtom1Charge () const
double	getAtom2Charge () const
double	getScalingFactor () const
double	getDielectricConstant () const
double	getDistanceExponent () const

Constructor & Destructor Documentation

MMFF94ElectrostaticInteraction()

CDPL::ForceField::MMFF94ElectrostaticInteraction::MMFF94ElectrostaticInteraction ( std::size_t  atom1_idx, std::size_t  atom2_idx, double  atom1_chg, double  atom2_chg, double  scale_fact, double  de_const, double  dist_expo  )

inline

Member Function Documentation

getAtom1Index()

std::size_t CDPL::ForceField::MMFF94ElectrostaticInteraction::getAtom1Index ( ) const

inline

getAtom2Index()

std::size_t CDPL::ForceField::MMFF94ElectrostaticInteraction::getAtom2Index ( ) const

inline

getAtom1Charge()

double CDPL::ForceField::MMFF94ElectrostaticInteraction::getAtom1Charge ( ) const

inline

getAtom2Charge()

double CDPL::ForceField::MMFF94ElectrostaticInteraction::getAtom2Charge ( ) const

inline

getScalingFactor()

double CDPL::ForceField::MMFF94ElectrostaticInteraction::getScalingFactor ( ) const

inline

getDielectricConstant()

double CDPL::ForceField::MMFF94ElectrostaticInteraction::getDielectricConstant ( ) const

inline

getDistanceExponent()

double CDPL::ForceField::MMFF94ElectrostaticInteraction::getDistanceExponent ( ) const

inline

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

• MMFF94ElectrostaticInteraction.hpp