BALL 1.5.0
radialDistributionFunction.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4
5#ifndef BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
6#define BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
7
8#ifndef BALL_MATHS_PPOLYNOMIAL_H
10#endif
11
12namespace BALL
13{
23 {
24 public:
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64 virtual void clear()
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74 void setRepresentation(const PiecewisePolynomial& polynomial)
75 ;
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79 const PiecewisePolynomial& getRepresentation() const
80 ;
81
84 const Interval& getRange() const
85 ;
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89 virtual double operator () (double x) const
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99 bool isInRange(double x) const
100 ;
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104 bool isValid() const
105 ;
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109 bool operator == (const RadialDistributionFunction& rdf) const
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119 virtual void dump (std::ostream& s = std::cout, Size depth = 0) const
120 ;
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124 protected:
125
126 /*_ The representation of the RDF.
127 */
128 PiecewisePolynomial representation_;
129
130 /*_ The valid flag.
131 */
132 bool valid_;
133
134 };
135
136}
137
138#endif // BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
#define BALL_CREATE(name)
Definition: create.h:62
STL namespace.
Definition: constants.h:13
std::pair< double, double > Interval
#define BALL_EXPORT
Definition: COMMON/global.h:50