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

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