BALL  1.4.1
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Protected Attributes
BALL::RDFIntegrator Class Reference

#include <BALL/STRUCTURE/RDFIntegrator.h>

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

List of all members.

Public Member Functions

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

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

Default constructor

Copy constructor.

Parameters:
integratorthe integrator to copy from

Detailed constructor.

Parameters:
rdfthe 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.

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:
xthe 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:
integratorthe integrator to assign from
Returns:
a constant reference to this
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.

Accessors.

Set the radial distribution function of this instance.

Parameters:
rdfa radial distribution function
See also:
RadialDistributionFunction

Member Data Documentation

Definition at line 116 of file RDFIntegrator.h.

Definition at line 123 of file RDFIntegrator.h.

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