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

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

• MMFF94OutOfPlaneBendingParameterTable.hpp