Chemical Data Processing Library C++ API - Version 1.1.1
Public Member Functions | List of all members
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

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