MethodSphere.h

Go to the documentation of this file.

/*
 * MethodSphere.h
 *
 *  Created on: Nov 5, 2019
 *      Author: Nikhil
 */
 
#ifndef METHODSPHERE_H_
#define METHODSPHERE_H_
 
#include "Method.h"
#include "typedef.h"
#include "Polynomial.h"
#include <map>
 
class MethodSphere : public Method<MethodSphere>
{          
    friend class Method<MethodSphere>;
 
public:
    explicit MethodSphere(double, const std::string& type="virial");
 
    MethodSphere(double, std::map<double,double>);
    MethodSphere(const MethodSphere&);
    virtual ~MethodSphere();
 
protected:
    double operator()(const Vector3d& vec) const;
 
    double bondFunction(const Vector3d& vec1, const Vector3d& vec2) const;
 
 
private:
    std::map<std::pair<double,double>,Polynomial> piecewisePolynomial;
    double normalizer;
    double integratePolynomial(const int&, const double&,const double&,const double&,const double&) const;
    double integrate(const double&,const double&,const double&,const double&) const;
};
 
#endif /* METHODSPHERE_H_ */