RDFIntegrator Class Reference
[Radial Distribution Functions]

Integrator class for radial distribution functions. More...

#include <RDFIntegrator.h>

Inheritance diagram for RDFIntegrator:

List of all members.

Public Member Functions
Constructors and destructors
	RDFIntegrator () throw ()
	Default constructor.
	RDFIntegrator (const RDFIntegrator &integrator) throw ()
	Copy constructor.
	RDFIntegrator (const RadialDistributionFunction &rdf) throw ()
	Detailed constructor.
virtual	~RDFIntegrator () throw ()
	Destructor.
Assignment
const RDFIntegrator &	operator= (const RDFIntegrator &integrator) throw ()
	Assignment operator.
virtual void	clear () throw ()
	Clear function.
bool	operator== (const RDFIntegrator &integrator) const throw ()
	Equality operator.
virtual bool	isValid () const throw ()
	Validity test.
void	setRDF (const RadialDistributionFunction &rdf) throw ()
	Set the radial distribution function of this instance.
const RadialDistributionFunction &	getRDF () const throw ()
	Get the radial distribution function of this instance.
virtual double	operator() (double x) const throw ()
	Compute the value of the integral at a given x.
Protected Attributes
RadialDistributionFunction	rdf_
bool	valid_

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Detailed Description

Integrator class for radial distribution functions.

This class provides the integration functionality needed for the computation of interaction energies.

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Constructor & Destructor Documentation

RDFIntegrator::RDFIntegrator (  const RDFIntegrator &  integrator  )  throw ()

Copy constructor. Parameters: integrator  the integrator to copy from

RDFIntegrator::RDFIntegrator (  const RadialDistributionFunction &  rdf  )  throw ()

Detailed constructor. Parameters: rdf  the radial distribution function to initialize this with

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Member Function Documentation

virtual void RDFIntegrator::clear (   )  throw () [virtual]

Clear function. Reimplemented in Pair6_12RDFIntegrator, and PairExpRDFIntegrator.

const RadialDistributionFunction& RDFIntegrator::getRDF (   )  const throw ()

Get the radial distribution function of this instance. Returns: a const reference to the radial distribution function

virtual bool RDFIntegrator::isValid (   )  const throw () [virtual]

Validity test. Return the valid flag. Returns: true, if this instance is valid.

virtual double RDFIntegrator::operator() (  double  x  )  const throw () [virtual]

Compute the value of the integral at a given x. This function should not be called, because it is merely a sort of prototype defining interface for derived classes. It always returns 0.0. Parameters: x  the lower limit of the integration Returns: always 0.0 Reimplemented in Pair6_12RDFIntegrator, and PairExpRDFIntegrator.

const RDFIntegrator& RDFIntegrator::operator= (  const RDFIntegrator &  integrator  )  throw ()

Assignment operator. Parameters: integrator  the integrator to assign from Returns: a constant reference to this

bool RDFIntegrator::operator== (  const RDFIntegrator &  integrator  )  const throw ()

Equality operator. Parameters: integrator  the integrator which we want to compare to {this} Returns: true, if the instances are equal, false ow.

void RDFIntegrator::setRDF (  const RadialDistributionFunction &  rdf  )  throw ()

Set the radial distribution function of this instance. Parameters: rdf  a radial distribution function See also: RadialDistributionFunction