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radialDistributionFunction.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#ifndef BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
#define BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
#ifndef BALL_MATHS_PPOLYNOMIAL_H
# include <BALL/MATHS/piecewisePolynomial.h>
#endif
namespace BALL
{
class BALL_EXPORT RadialDistributionFunction
{
public:
BALL_CREATE(RadialDistributionFunction)
RadialDistributionFunction()
;
RadialDistributionFunction(const RadialDistributionFunction& rdf)
;
RadialDistributionFunction(const PiecewisePolynomial& polynomial)
;
virtual ~RadialDistributionFunction()
;
const RadialDistributionFunction& operator = (const RadialDistributionFunction& rdf)
;
virtual void clear()
;
void setRepresentation(const PiecewisePolynomial& polynomial)
;
const PiecewisePolynomial& getRepresentation() const
;
const Interval& getRange() const
;
virtual double operator () (double x) const
;
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:
/*_ The representation of the RDF.
*/
PiecewisePolynomial representation_;
/*_ The valid flag.
*/
bool valid_;
};
}
#endif // BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
BALL::PiecewisePolynomial
Definition piecewisePolynomial.h:29
BALL::RadialDistributionFunction::isInRange
bool isInRange(double x) const
BALL::RadialDistributionFunction::getRange
const Interval & getRange() const
BALL::RadialDistributionFunction::clear
virtual void clear()
BALL::RadialDistributionFunction::dump
virtual void dump(std::ostream &s=std::cout, Size depth=0) const
BALL::RadialDistributionFunction::isValid
bool isValid() const
BALL::RadialDistributionFunction::setRepresentation
void setRepresentation(const PiecewisePolynomial &polynomial)
BALL::RadialDistributionFunction::getRepresentation
const PiecewisePolynomial & getRepresentation() const
BALL::RadialDistributionFunction::representation_
PiecewisePolynomial representation_
Definition radialDistributionFunction.h:128
BALL::RadialDistributionFunction::RadialDistributionFunction
RadialDistributionFunction()
BALL::RadialDistributionFunction::valid_
bool valid_
Definition radialDistributionFunction.h:132
BALL_CREATE
#define BALL_CREATE(name)
Definition create.h:62
BALL
Definition constants.h:13
BALL::Size
BALL_SIZE_TYPE Size
Definition COMMON/global.h:114
BALL::Interval
std::pair< double, double > Interval
Definition piecewiseFunction.h:23
std
STL namespace.
piecewisePolynomial.h