BALL::RDFIntegrator Class Reference

#include <BALL/STRUCTURE/RDFIntegrator.h>

Inheritance diagram for BALL::RDFIntegrator:

Public Member Functions
Constructors and destructors
	RDFIntegrator ()
	RDFIntegrator (const RDFIntegrator &integrator)
	RDFIntegrator (const RadialDistributionFunction &rdf)
virtual	~RDFIntegrator ()
Assignment
const RDFIntegrator &	operator= (const RDFIntegrator &integrator)
virtual void	clear ()
bool	operator== (const RDFIntegrator &integrator) const
	Predicates. More...
virtual bool	isValid () const
void	setRDF (const RadialDistributionFunction &rdf)
	Accessors. More...
const RadialDistributionFunction &	getRDF () const
virtual double	operator() (double x) const

Protected Attributes
RadialDistributionFunction	rdf_
bool	valid_

Detailed Description

Integrator class for radial distribution functions. This class provides the integration functionality needed for the computation of interaction energies.

Definition at line 19 of file RDFIntegrator.h.

Constructor & Destructor Documentation

BALL::RDFIntegrator::RDFIntegrator

(

)

Default constructor

BALL::RDFIntegrator::RDFIntegrator

(

const RDFIntegrator &

integrator

)

Copy constructor.

Parameters

integrator

the integrator to copy from

BALL::RDFIntegrator::RDFIntegrator

(

const RadialDistributionFunction &

rdf

)

Detailed constructor.

Parameters

rdf	the radial distribution function to initialize this with

virtual BALL::RDFIntegrator::~RDFIntegrator ( )

virtual

Destructor

Member Function Documentation

virtual void BALL::RDFIntegrator::clear ( )

virtual

Clear function.

Reimplemented in BALL::Pair6_12RDFIntegrator, and BALL::PairExpRDFIntegrator.

const RadialDistributionFunction& BALL::RDFIntegrator::getRDF

(

)

const

Get the radial distribution function of this instance.

Returns

a const reference to the radial distribution function

virtual bool BALL::RDFIntegrator::isValid ( ) const

virtual

Validity test. Return the valid flag.

Returns

true, if this instance is valid.

virtual double BALL::RDFIntegrator::operator() ( double  x ) const

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 BALL::Pair6_12RDFIntegrator, and BALL::PairExpRDFIntegrator.

const RDFIntegrator& BALL::RDFIntegrator::operator=

(

const RDFIntegrator &

integrator

)

Assignment operator.

Parameters

integrator

the integrator to assign from

Returns

a constant reference to this

bool BALL::RDFIntegrator::operator==

(

const RDFIntegrator &

integrator

)

const

Predicates.

Equality operator

Parameters

integrator

the integrator which we want to compare to {this}

Returns

true, if the instances are equal, false ow.

void BALL::RDFIntegrator::setRDF

(

const RadialDistributionFunction &

rdf

)

Accessors.

Set the radial distribution function of this instance.

Parameters

rdf	a radial distribution function

See also

RadialDistributionFunction

Member Data Documentation

RadialDistributionFunction BALL::RDFIntegrator::rdf_

protected

Definition at line 116 of file RDFIntegrator.h.

bool BALL::RDFIntegrator::valid_

protected

Definition at line 123 of file RDFIntegrator.h.