Chemical Data Processing Library C++ API - Version 1.1.1
Public Member Functions | List of all members
CDPL::ForceField::MMFF94OutOfPlaneBendingParameterTable::Entry Class Reference

#include <MMFF94OutOfPlaneBendingParameterTable.hpp>

Public Member Functions

 Entry ()
 
 Entry (unsigned int term_atom1_type, unsigned int ctr_atom_type, unsigned int term_atom2_type, unsigned int oop_atom_type, double force_const)
 
unsigned int getTerminalAtom1Type () const
 
unsigned int getTerminalAtom2Type () const
 
unsigned int getCenterAtomType () const
 
unsigned int getOutOfPlaneAtomType () const
 
double getForceConstant () const
 
 operator bool () const
 

Constructor & Destructor Documentation

◆ Entry() [1/2]

CDPL::ForceField::MMFF94OutOfPlaneBendingParameterTable::Entry::Entry ( )

◆ Entry() [2/2]

CDPL::ForceField::MMFF94OutOfPlaneBendingParameterTable::Entry::Entry ( unsigned int  term_atom1_type,
unsigned int  ctr_atom_type,
unsigned int  term_atom2_type,
unsigned int  oop_atom_type,
double  force_const 
)

Member Function Documentation

◆ getTerminalAtom1Type()

unsigned int CDPL::ForceField::MMFF94OutOfPlaneBendingParameterTable::Entry::getTerminalAtom1Type ( ) const

◆ getTerminalAtom2Type()

unsigned int CDPL::ForceField::MMFF94OutOfPlaneBendingParameterTable::Entry::getTerminalAtom2Type ( ) const

◆ getCenterAtomType()

unsigned int CDPL::ForceField::MMFF94OutOfPlaneBendingParameterTable::Entry::getCenterAtomType ( ) const

◆ getOutOfPlaneAtomType()

unsigned int CDPL::ForceField::MMFF94OutOfPlaneBendingParameterTable::Entry::getOutOfPlaneAtomType ( ) const

◆ getForceConstant()

double CDPL::ForceField::MMFF94OutOfPlaneBendingParameterTable::Entry::getForceConstant ( ) const

◆ operator bool()

CDPL::ForceField::MMFF94OutOfPlaneBendingParameterTable::Entry::operator bool ( ) const

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