CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry Class Reference

#include <MMFF94BondStretchingRuleParameterTable.hpp>

Public Member Functions
	Entry ()
	Entry (unsigned int atomic_no1, unsigned int atomic_no2, double force_const, double ref_length)
unsigned int	getAtomicNumber1 () const
unsigned int	getAtomicNumber2 () const
double	getForceConstant () const
double	getReferenceLength () const
	operator bool () const

Constructor & Destructor Documentation

Entry() [1/2]

CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::Entry

(

)

Entry() [2/2]

CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::Entry	(	unsigned int	atomic_no1,
		unsigned int	atomic_no2,
		double	force_const,
		double	ref_length
	)

Member Function Documentation

getAtomicNumber1()

unsigned int CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::getAtomicNumber1

(

)

const

getAtomicNumber2()

unsigned int CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::getAtomicNumber2

(

)

const

getForceConstant()

double CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::getForceConstant

(

)

const

getReferenceLength()

double CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::getReferenceLength

(

)

const

operator bool()

CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::operator bool

(

)

const

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

• MMFF94BondStretchingRuleParameterTable.hpp