CForce Class Reference

#include <io_datatype.h>

Public Member Functions
	CForce ()
void	setAtom (const string strAtomIn)
void	setResidue (const string strResidueNameIn)
void	setResidueNum (const string strResidueNumIn)
void	setChain (const string strChainIn)
void	setValue (const delphi_real fValueIn)
string	getAtom () const
string	getResidue () const
string	getResidueNum () const
string	getChain () const
delphi_real	getValue () const

Detailed Description

Class to store force field read from .siz and .crg files. Notice that values are all defined to be private so that accessing these values have to be via the provided public member functions.

Constructor & Destructor Documentation

CForce::CForce ( )

inline

default constructor

Member Function Documentation

string CForce::getAtom ( ) const

inline

function to get atom name

Returns

atom name

string CForce::getChain ( ) const

inline

function to get chain name

Returns

chain name

string CForce::getResidue ( ) const

inline

function to get residue name

Returns

residue name

string CForce::getResidueNum ( ) const

inline

function to get residue number

Returns

residue number

delphi_real CForce::getValue ( ) const

inline

function to get force field value

Returns

charge or radius of this atom

void CForce::setAtom ( const string  strAtomIn )

inline

function to set atom name

Parameters

strAtomIn

atom name read from input file

void CForce::setChain ( const string  strChainIn )

inline

function to set chain name

Parameters

strChainIn

chain name read from input file

void CForce::setResidue ( const string  strResidueNameIn )

inline

function to set residue name

Parameters

strResidueNameIn

residue name read from input file

void CForce::setResidueNum ( const string  strResidueNumIn )

inline

function to set residue number

Parameters

strResidueNumIn

residue number read from input file

void CForce::setValue ( const delphi_real  fValueIn )

inline

function to set the value (either charge or radius) associated with a particular atom

Parameters

fValueIn

force field value associated with this atom

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

• io_datatype.h