Site Class Reference

The Site class is the basis for the implementation of physical interactions. More...

#include <Site.h>

Inheritance diagram for Site:

Public Member Functions
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)
virtual void	readXML (XMLfileUnits &xmlconfig)
	Read in XML configuration for a site and all its included objects. More...
virtual void	write (std::ostream &ostrm) const

Protected Member Functions
	Site (double x=0., double y=0., double z=0., double m=0.)
	Constructor. More...

Protected Attributes
std::array< double, 3 >	_r
double	_m

Detailed Description

The Site class is the basis for the implementation of physical interactions.

A site in ls1-MarDyn is the center of an interaction. Depending on the interaction type there are specialised derived classes of this basic site class. All sites provide as common propery the site position and site mass.

Constructor & Destructor Documentation

Site()

Site::Site ( double  x = 0., double  y = 0., double  z = 0., double  m = 0.  )

inlineprotected

Constructor.

Parameters

x	elative x-coordinate
y	elative y-coordinate
z	elative z-coordinate
m	mass

Member Function Documentation

m()

double Site::m ( ) const

inline

get mass

r()

std::array<double, 3> Site::r ( ) const

inline

get position vector

readXML()

virtual void Site::readXML ( XMLfileUnits &  xmlconfig )

inlinevirtual

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

The following xml object structure is handled by this method:

<site>
  <coords> <x>DOUBLE</x> <y>DOUBLE</y> <z>DOUBLE</z> </coords>
  <mass>DOUBLE</mass>
</site>

Reimplemented in LJcenter, Charge, Dipole, and Quadrupole.

rx()

double Site::rx ( ) const

inline

get x-coordinate of position vector

ry()

double Site::ry ( ) const

inline

get y-coordinate of position vector

rz()

double Site::rz ( ) const

inline

get z-coordinate of position vector

setM()

void Site::setM ( double  m )

inline

set the site mass

setR()

void Site::setR ( int  d, double  r  )

inline

set the d-th component of the position

write()

virtual void Site::write ( std::ostream &  ostrm ) const

inlinevirtual

Reimplemented in LJcenter, Charge, and OrientedSite.

Member Data Documentation

_m

double Site::_m

protected

mass

_r

std::array<double, 3> Site::_r

protected

position coordinates

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

• src/molecules/Site.h