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

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