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 RadialDistributionFunction &	operator= (const RadialDistributionFunction &rdf)
virtual void	clear ()
Accessors.
void	setRepresentation (const PiecewisePolynomial &polynomial)
const PiecewisePolynomial &	getRepresentation () const
const Interval &	getRange () const
virtual double	operator() (double x) const
Predicates.
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

Protected Attributes
PiecewisePolynomial	representation_
bool	valid_

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

BALL::RadialDistributionFunction::RadialDistributionFunction

(

)

Default constructor.

BALL::RadialDistributionFunction::RadialDistributionFunction

(

const RadialDistributionFunction &

rdf

)

Copy constructor.

BALL::RadialDistributionFunction::RadialDistributionFunction

(

const PiecewisePolynomial &

polynomial

)

Detailed constructor.

virtual BALL::RadialDistributionFunction::~RadialDistributionFunction ( )

virtual

Destructor.

Member Function Documentation

virtual void BALL::RadialDistributionFunction::clear ( )

virtual

Clear function.

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.

const Interval& BALL::RadialDistributionFunction::getRange

(

)

const

Get the range of the representing function.

const PiecewisePolynomial& BALL::RadialDistributionFunction::getRepresentation

(

)

const

Get the representation of the RDF.

bool BALL::RadialDistributionFunction::isInRange

(

double

x

)

const

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

bool BALL::RadialDistributionFunction::isValid

(

)

const

Check validity.

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

virtual

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

const RadialDistributionFunction& BALL::RadialDistributionFunction::operator=

(

const RadialDistributionFunction &

rdf

)

Assignment operator.

bool BALL::RadialDistributionFunction::operator==

(

const RadialDistributionFunction &

rdf

)

const

Equality operator.

void BALL::RadialDistributionFunction::setRepresentation

(

const PiecewisePolynomial &

polynomial

)

Set the representing PiecewisePolynomial.

Member Data Documentation

PiecewisePolynomial BALL::RadialDistributionFunction::representation_

protected

Definition at line 128 of file radialDistributionFunction.h.

bool BALL::RadialDistributionFunction::valid_

protected

Definition at line 132 of file radialDistributionFunction.h.