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