Charge Class Reference

Charge center. More...

#include <Site.h>

Inheritance diagram for Charge:

Public Member Functions
	Charge (double x, double y, double z, double m, double q)
	Constructor. More...
void	readXML (XMLfileUnits &xmlconfig)
	Read in XML configuration for a Charge and all its included objects. More...
void	write (std::ostream &ostrm) const
	write to stream More...
double	q () const
void	setQ (double q)
Public Member Functions inherited from Site
double	rx () const
double	ry () const
double	rz () const
std::array< double, 3 >	r () const
double	m () const
void	setR (int d, double r)
void	setM (double m)

Additional Inherited Members
Protected Member Functions inherited from Site
	Site (double x=0., double y=0., double z=0., double m=0.)
	Constructor. More...
Protected Attributes inherited from Site
std::array< double, 3 >	_r
double	_m

Detailed Description

Charge center.

Electrical charge interaction site. The potential between two charge centers is given by the coulomb interaction

where is the distance between the two coulomb centers, and are the charges of the two centers and is the vacuum permittivity. See potforce.h for the detailed implementation.

Constructor & Destructor Documentation

Charge()

Charge::Charge ( double  x, double  y, double  z, double  m, double  q  )

inline

Constructor.

Parameters

[in]	x	relative x coordinate
[in]	y	relative y coordinate
[in]	z	relative z coordinate
[in]	m	mass
[in]	q	charge

Member Function Documentation

q()

double Charge::q ( ) const

inline

get charge

readXML()

void Charge::readXML ( XMLfileUnits &  xmlconfig )

inlinevirtual

Read in XML configuration for a Charge and all its included objects.

The following xml object structure is handled by this method:

<site>
  <!-- all Site class parameters -->
  <charge>DOUBLE</charge>
</site>

Reimplemented from Site.

setQ()

void Charge::setQ ( double  q )

inline

set the charge

write()

void Charge::write ( std::ostream &  ostrm ) const

inlinevirtual

write to stream

Reimplemented from Site.

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

• src/molecules/Site.h