CDPL::ForceField::MMFF94BondStretchingInteraction Class Reference

#include <MMFF94BondStretchingInteraction.hpp>

Public Member Functions
	MMFF94BondStretchingInteraction (std::size_t atom1_idx, std::size_t atom2_idx, unsigned int bond_type_idx, double force_const, double ref_length)
std::size_t	getAtom1Index () const
std::size_t	getAtom2Index () const
unsigned int	getBondTypeIndex () const
double	getForceConstant () const
double	getReferenceLength () const
void	setReferenceLength (double length)

Constructor & Destructor Documentation

MMFF94BondStretchingInteraction()

CDPL::ForceField::MMFF94BondStretchingInteraction::MMFF94BondStretchingInteraction ( std::size_t  atom1_idx, std::size_t  atom2_idx, unsigned int  bond_type_idx, double  force_const, double  ref_length  )

inline

Member Function Documentation

getAtom1Index()

std::size_t CDPL::ForceField::MMFF94BondStretchingInteraction::getAtom1Index ( ) const

inline

getAtom2Index()

std::size_t CDPL::ForceField::MMFF94BondStretchingInteraction::getAtom2Index ( ) const

inline

getBondTypeIndex()

unsigned int CDPL::ForceField::MMFF94BondStretchingInteraction::getBondTypeIndex ( ) const

inline

getForceConstant()

double CDPL::ForceField::MMFF94BondStretchingInteraction::getForceConstant ( ) const

inline

getReferenceLength()

double CDPL::ForceField::MMFF94BondStretchingInteraction::getReferenceLength ( ) const

inline

setReferenceLength()

void CDPL::ForceField::MMFF94BondStretchingInteraction::setReferenceLength ( double  length )

inline

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

• MMFF94BondStretchingInteraction.hpp