BALL 1.5.0
RDFIntegrator.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4
5#ifndef BALL_STRUCTURE_RDFINTEGRATOR_H
6#define BALL_STRUCTURE_RDFINTEGRATOR_H
7
8#ifndef BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
10#endif
11
12namespace BALL
13{
20 {
21 public:
22
24
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29
32 ;
33
37 RDFIntegrator(const RDFIntegrator& integrator)
38 ;
39
44 ;
45
48 virtual ~RDFIntegrator()
49 ;
50
52
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60 const RDFIntegrator& operator = (const RDFIntegrator& integrator)
61 ;
62
65 virtual void clear()
66 ;
67
69
71
76 bool operator == (const RDFIntegrator& integrator) const
77 ;
78
82 virtual bool isValid() const
83 ;
84
86
88
93 void setRDF(const RadialDistributionFunction& rdf)
94 ;
95
99 const RadialDistributionFunction& getRDF() const
100 ;
101
108 virtual double operator () (double x) const
109 ;
110
112
113 protected:
114
115 //_ The radial distribution function which is to be integrated.
117
118 /*_ A flag indicating validity of this instance. A sole RDFIntegrator
119 instance cannot be valid, because it does not have any information
120 about the potential for which it should be the integrating means.
121 This flag is provided for derived classes.
122 */
123 bool valid_;
124
125 };
126
127}
128#endif // BALL_STRUCTURE_RDFINTEGRATOR_H
#define BALL_CREATE(name)
Definition: create.h:62
Definition: constants.h:13
#define BALL_EXPORT
Definition: COMMON/global.h:50