threeparticleforce.h

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#ifndef THREEPARTICLEFORCE_H
#define THREEPARTICLEFORCE_H

// Local headers
#include <math/vector3.h>

// Forward declarations
class Atom;

// System headers
#include <armadillo>

using namespace arma;

class ThreeParticleForce
{
public:
    ThreeParticleForce();

    virtual void calculateAndApplyForce(Atom *atom1, Atom *atom2, Atom *atom3) = 0;
    virtual void calculateAndApplyForce(Atom* atom1, Atom* atom2, Atom *atom3, const Vector3 &atom2Offset, const Vector3 &atom3Offset) = 0;

    void setNewtonsThirdLawEnabled(bool enable);
    bool isNewtonsThirdLawEnabled();
    void setCalculatePressureEnabled(bool enable);
    bool isCalculatePressureEnabled();
    void setCalculatePotentialEnabled(bool enable);
    bool isCalculatePotentialEnabled();
    double cutoffRadius() const;
    void setCutoffRadius(double cutoffRadius);
private:
    bool m_isCalculatePotentialEnabled;
    bool m_isCalculatePressureEnabled;
    bool m_isNewtonsThirdLawEnabled;
    double m_cutoffRadius;
};

inline void ThreeParticleForce::setNewtonsThirdLawEnabled(bool enable) {
    m_isNewtonsThirdLawEnabled = enable;
}

inline bool ThreeParticleForce::isNewtonsThirdLawEnabled() {
    return m_isNewtonsThirdLawEnabled;
}

inline void ThreeParticleForce::setCalculatePressureEnabled(bool enable) {
    m_isCalculatePressureEnabled = enable;
}

inline bool ThreeParticleForce::isCalculatePressureEnabled() {
    return m_isCalculatePressureEnabled;
}

inline void ThreeParticleForce::setCalculatePotentialEnabled(bool enable) {
    m_isCalculatePotentialEnabled = enable;
}

inline bool ThreeParticleForce::isCalculatePotentialEnabled() {
    return m_isCalculatePotentialEnabled;
}

#endif // THREEPARTICLEFORCE_H