BALL 1.5.0
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BALL::RadialDistributionFunction Class Reference

#include <BALL/STRUCTURE/radialDistributionFunction.h>

Public Member Functions

Constructors and Destructor.
 RadialDistributionFunction ()
 
 RadialDistributionFunction (const RadialDistributionFunction &rdf)
 
 RadialDistributionFunction (const PiecewisePolynomial &polynomial)
 
virtual ~RadialDistributionFunction ()
 
Assignment.
const RadialDistributionFunctionoperator= (const RadialDistributionFunction &rdf)
 
virtual void clear ()
 
Accessors.
void setRepresentation (const PiecewisePolynomial &polynomial)
 
const PiecewisePolynomialgetRepresentation () const
 
const IntervalgetRange () const
 
virtual double operator() (double x) const
 

Predicates.

PiecewisePolynomial representation_
 
bool valid_
 
bool isInRange (double x) const
 
bool isValid () const
 
bool operator== (const RadialDistributionFunction &rdf) const
 
virtual void dump (std::ostream &s=std::cout, Size depth=0) const
 

Detailed Description

Radial distribution function. This class provides an interface for the use of radial distribution functions. These functions describe the deviation of the number density in a real fluid from the ideal (isotropic) case. The representation of such a function is a piecewise polynomial obtained by smoothing spline fit from molecular dynamics simulation.


Definition at line 22 of file radialDistributionFunction.h.

Constructor & Destructor Documentation

◆ RadialDistributionFunction() [1/3]

BALL::RadialDistributionFunction::RadialDistributionFunction ( )

Default constructor.

◆ RadialDistributionFunction() [2/3]

BALL::RadialDistributionFunction::RadialDistributionFunction ( const RadialDistributionFunction & rdf)

Copy constructor.

◆ RadialDistributionFunction() [3/3]

BALL::RadialDistributionFunction::RadialDistributionFunction ( const PiecewisePolynomial & polynomial)

Detailed constructor.

◆ ~RadialDistributionFunction()

virtual BALL::RadialDistributionFunction::~RadialDistributionFunction ( )
virtual

Destructor.

Member Function Documentation

◆ clear()

virtual void BALL::RadialDistributionFunction::clear ( )
virtual

Clear function.

◆ dump()

virtual void BALL::RadialDistributionFunction::dump ( std::ostream & s = std::cout,
Size depth = 0 ) const
virtual

Debugging and Diagnostics. Dumps the whole content of the object.

◆ getRange()

const Interval & BALL::RadialDistributionFunction::getRange ( ) const

Get the range of the representing function.

◆ getRepresentation()

const PiecewisePolynomial & BALL::RadialDistributionFunction::getRepresentation ( ) const

Get the representation of the RDF.

◆ isInRange()

bool BALL::RadialDistributionFunction::isInRange ( double x) const

Check, whether a given x is in the range of the RDF.

◆ isValid()

bool BALL::RadialDistributionFunction::isValid ( ) const

Check validity.

◆ operator()()

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

Compute the value of the distribution function at a given x.

◆ operator=()

const RadialDistributionFunction & BALL::RadialDistributionFunction::operator= ( const RadialDistributionFunction & rdf)

Assignment operator.

◆ operator==()

bool BALL::RadialDistributionFunction::operator== ( const RadialDistributionFunction & rdf) const

Equality operator.

◆ setRepresentation()

void BALL::RadialDistributionFunction::setRepresentation ( const PiecewisePolynomial & polynomial)

Set the representing PiecewisePolynomial.

Member Data Documentation

◆ representation_

PiecewisePolynomial BALL::RadialDistributionFunction::representation_
protected

Definition at line 128 of file radialDistributionFunction.h.

◆ valid_

bool BALL::RadialDistributionFunction::valid_
protected

Definition at line 132 of file radialDistributionFunction.h.