BALL::RDFIntegrator Class Reference
[Radial Distribution Functions]

#include <BALL/STRUCTURE/RDFIntegrator.h>

Inheritance diagram for BALL::RDFIntegrator:

[legend]

List of all members.

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.
virtual bool	isValid () const
void	setRDF (const RadialDistributionFunction &rdf)
	Accessors.
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

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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.