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RDFIntegrator.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#ifndef BALL_STRUCTURE_RDFINTEGRATOR_H
#define BALL_STRUCTURE_RDFINTEGRATOR_H
#ifndef BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
# include <BALL/STRUCTURE/radialDistributionFunction.h>
#endif
namespace BALL
{
class BALL_EXPORT RDFIntegrator
{
public:
BALL_CREATE(RDFIntegrator)
RDFIntegrator()
;
RDFIntegrator(const RDFIntegrator& integrator)
;
RDFIntegrator(const RadialDistributionFunction& rdf)
;
virtual ~RDFIntegrator()
;
const RDFIntegrator& operator = (const RDFIntegrator& integrator)
;
virtual void clear()
;
bool operator == (const RDFIntegrator& integrator) const
;
virtual bool isValid() const
;
void setRDF(const RadialDistributionFunction& rdf)
;
const RadialDistributionFunction& getRDF() const
;
virtual double operator () (double x) const
;
protected:
//_ The radial distribution function which is to be integrated.
RadialDistributionFunction rdf_;
/*_ A flag indicating validity of this instance. A sole RDFIntegrator
instance cannot be valid, because it does not have any information
about the potential for which it should be the integrating means.
This flag is provided for derived classes.
*/
bool valid_;
};
}
#endif // BALL_STRUCTURE_RDFINTEGRATOR_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
BALL::RDFIntegrator::clear
virtual void clear()
BALL::RDFIntegrator::setRDF
void setRDF(const RadialDistributionFunction &rdf)
Accessors.
BALL::RDFIntegrator::rdf_
RadialDistributionFunction rdf_
Definition RDFIntegrator.h:116
BALL::RDFIntegrator::valid_
bool valid_
Definition RDFIntegrator.h:123
BALL::RDFIntegrator::RDFIntegrator
RDFIntegrator()
BALL::RDFIntegrator::getRDF
const RadialDistributionFunction & getRDF() const
BALL::RDFIntegrator::isValid
virtual bool isValid() const
BALL::RadialDistributionFunction
Definition radialDistributionFunction.h:23
BALL_CREATE
#define BALL_CREATE(name)
Definition create.h:62
BALL
Definition constants.h:13
radialDistributionFunction.h