BALL: RDFIntegrator.h Source File

00001 // -*- Mode: C++; tab-width: 2; -*-
00002 // vi: set ts=2:
00003 //
00004 
00005 #ifndef BALL_STRUCTURE_RDFINTEGRATOR_H
00006 #define BALL_STRUCTURE_RDFINTEGRATOR_H
00007 
00008 #ifndef BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
00009 # include <BALL/STRUCTURE/radialDistributionFunction.h>
00010 #endif
00011 
00012 namespace BALL
00013 {
00019   class BALL_EXPORT RDFIntegrator
00020   {
00021     public:
00022 
00023     BALL_CREATE(RDFIntegrator)
00024 
00025     
00028 
00031     RDFIntegrator()
00032       ;
00033 
00037     RDFIntegrator(const RDFIntegrator& integrator)
00038       ;
00039 
00043     RDFIntegrator(const RadialDistributionFunction& rdf)
00044       ;
00045 
00048     virtual ~RDFIntegrator()
00049       ;
00050 
00052 
00055 
00060     const RDFIntegrator& operator = (const RDFIntegrator& integrator)
00061       ;
00062 
00065     virtual void clear()
00066       ;
00067 
00069 
00070 
00071 
00076     bool operator == (const RDFIntegrator& integrator) const
00077       ;
00078 
00082     virtual bool isValid() const 
00083       ;
00084 
00086 
00087 
00088 
00093     void setRDF(const RadialDistributionFunction& rdf)
00094       ;
00095 
00099     const RadialDistributionFunction& getRDF() const
00100       ;
00101 
00108     virtual double operator () (double x) const
00109       ;
00110 
00112 
00113     protected:
00114 
00115     //_ The radial distribution function which is to be integrated.
00116     RadialDistributionFunction rdf_;
00117 
00118     /*_ A flag indicating validity of this instance. A sole RDFIntegrator
00119         instance cannot be valid, because it does not have any information
00120         about the potential for which it should be the integrating means.
00121         This flag is provided for derived classes.
00122     */
00123     bool valid_;
00124 
00125   };
00126    
00127 }
00128 #endif // BALL_STRUCTURE_RDFINTEGRATOR_H