BALL 1.5.0
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#include <BALL/STRUCTURE/RDFIntegrator.h>

Inheritance diagram for BALL::RDFIntegrator:
BALL::Pair6_12RDFIntegrator BALL::PairExpRDFIntegrator

Public Member Functions

Constructors and destructors
 RDFIntegrator ()
 
 RDFIntegrator (const RDFIntegrator &integrator)
 
 RDFIntegrator (const RadialDistributionFunction &rdf)
 
virtual ~RDFIntegrator ()
 

Assignment

RadialDistributionFunction rdf_
 
bool valid_
 
const RDFIntegratoroperator= (const RDFIntegrator &integrator)
 
virtual void clear ()
 
bool operator== (const RDFIntegrator &integrator) const
 Predicates.
 
virtual bool isValid () const
 
void setRDF (const RadialDistributionFunction &rdf)
 Accessors.
 
const RadialDistributionFunctiongetRDF () const
 
virtual double operator() (double x) const
 

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

◆ RDFIntegrator() [1/3]

BALL::RDFIntegrator::RDFIntegrator ( )

Default constructor

◆ RDFIntegrator() [2/3]

BALL::RDFIntegrator::RDFIntegrator ( const RDFIntegrator integrator)

Copy constructor.

Parameters
integratorthe integrator to copy from

◆ RDFIntegrator() [3/3]

BALL::RDFIntegrator::RDFIntegrator ( const RadialDistributionFunction rdf)

Detailed constructor.

Parameters
rdfthe radial distribution function to initialize this with

◆ ~RDFIntegrator()

virtual BALL::RDFIntegrator::~RDFIntegrator ( )
virtual

Destructor

Member Function Documentation

◆ clear()

virtual void BALL::RDFIntegrator::clear ( )
virtual

Clear function.

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

◆ getRDF()

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

Get the radial distribution function of this instance.

Returns
a const reference to the radial distribution function

◆ isValid()

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

Validity test. Return the valid flag.

Returns
true, if this instance is valid.

◆ operator()()

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
xthe lower limit of the integration
Returns
always 0.0

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

◆ operator=()

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

Assignment operator.

Parameters
integratorthe integrator to assign from
Returns
a constant reference to this

◆ operator==()

bool BALL::RDFIntegrator::operator== ( const RDFIntegrator integrator) const

Predicates.

Equality operator

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

◆ setRDF()

void BALL::RDFIntegrator::setRDF ( const RadialDistributionFunction rdf)

Accessors.

Set the radial distribution function of this instance.

Parameters
rdfa radial distribution function
See also
RadialDistributionFunction

Member Data Documentation

◆ rdf_

RadialDistributionFunction BALL::RDFIntegrator::rdf_
protected

Definition at line 116 of file RDFIntegrator.h.

◆ valid_

bool BALL::RDFIntegrator::valid_
protected

Definition at line 123 of file RDFIntegrator.h.