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/////////////////////////////////////////////////////////////
// //
// Copyright (c) 2003-2014 by The University of Queensland //
// Centre for Geoscience Computing //
// http://earth.uq.edu.au/centre-geoscience-computing //
// //
// Primary Business: Brisbane, Queensland, Australia //
// Licensed under the Open Software License version 3.0 //
// http://www.apache.org/licenses/LICENSE-2.0 //
// //
/////////////////////////////////////////////////////////////
#ifndef __ROTTHERMELASTICINTERACTION_H
#define __ROTTHERMELASTICINTERACTION_H
#include "Model/RotThermPairInteraction.h"
#include "Model/RotThermParticle.h"
#include "Model/IGParam.h"
/*!
Interaction group parameters for CRotThermElasticInteractionGroups
*/
class CRotThermElasticIGP : public AIGParam
{
protected:
public:
CRotThermElasticIGP();
CRotThermElasticIGP(
const std::string &name,
double normalK,
double diffusivity
);
double m_kr;
double diffusivity ;
virtual void packInto(CVarMPIBuffer*) const;
void setSpringConst(double k){m_kr=k;};
double getSpringConst() const{return m_kr;};
void setDiffusivity(double d){diffusivity = d;};
double getDiffusivity() const{return diffusivity ; };
friend ostream& operator<<(ostream&,const CRotThermElasticIGP&);
virtual std::string getTypeString() const
{
return "RotThermElastic";
}
};
CRotThermElasticIGP* extractRotThermElasticIGP(AMPIBuffer*);
CRotThermElasticIGP* extractRotThermElasticIGP_p(AMPIBuffer*);
/*!
Elastic Interaction between free thermal, rotational particles
*/
class CRotThermElasticInteraction : public ARotThermPairInteraction
{
public:
typedef double (CRotThermElasticInteraction::* ScalarFieldFunction)() const;
typedef pair<bool,double> (CRotThermElasticInteraction::* CheckedScalarFieldFunction)() const;
typedef Vec3 (CRotThermElasticInteraction::* VectorFieldFunction)() const;
static ScalarFieldFunction getScalarFieldFunction(const string&);
static CheckedScalarFieldFunction getCheckedScalarFieldFunction(const string&);
static VectorFieldFunction getVectorFieldFunction(const string&);
private:
double m_kr; //!< spring constant
Vec3 m_force; //!< caching force for E_pot
double m_nForce; //!< normal force, always >= 0
Vec3 m_cpos; //!< current position
Vec3 m_D; //!< initial positions of the particles
double m_diffusivity; //!< thermal diffusivity
public:
typedef CRotThermElasticIGP ParameterType;
CRotThermElasticInteraction();
CRotThermElasticInteraction(CRotThermParticle*,CRotThermParticle*,const CRotThermElasticIGP&);
virtual ~CRotThermElasticInteraction(){};
virtual Vec3 getPos() const {return m_cpos;};
static string getType(){return "RotThermElastic";}
virtual void calcForces();
void calcHeatTrans() ;
// void calcHeatFrict(){} ;
Vec3 getForce() const;
double getPotentialEnergy() const;
//26/Mar added
Vec3 getBondedVector() const ;
friend ostream& operator<<(ostream&,const CRotThermElasticInteraction&);
// save/load of restart parameters
virtual void saveRestartData(std::ostream &oStream);
virtual void loadRestartData(std::istream &iStream);
};
#endif //__ELASTICINTERACTION_H
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