BondedInteraction.h

Go to the documentation of this file.

//                                                         //
// Copyright (c) 2003-2017 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 __BONDEDINTERACTION_H
#define __BONDEDINTERACTION_H
 
// -- project includes --
#include "Model/IGParam.h" // keep this one first - it drags in mpi.h
#include "Model/Interaction.h"
#include "Model/Particle.h"
#include "Model/BondedInteractionCpData.h"
#include "Foundation/vec3.h"
 
// -- I/O includes --
#include <iostream>
using std::ostream;
 
// -- STL includes --
#include <utility>
 
using std::pair;
 
class CBondedIGP : public AIGParam
{
public:
  CBondedIGP();
 
  CBondedIGP(const std::string &name, int tag, double normalK, double breakDistance, bool scaling=true);
 
  virtual std::string getTypeString() const
  {
    return "Bonded";
  }
 
  double k; 
  double rbreak; 
  int tag;
  bool m_scaling;
};
 
class CBondedInteraction : public APairInteraction
{
 public: // types
  typedef CBondedIGP ParameterType;
  typedef BondedInteractionCpData CheckPointable;
 
  typedef double (CBondedInteraction::* ScalarFieldFunction)() const;
  typedef pair<bool,double> (CBondedInteraction::* CheckedScalarFieldFunction)() const;
  typedef Vec3 (CBondedInteraction::* VectorFieldFunction)() const;
 
 protected:
  double m_k;     
  double m_r0;    
  double m_dist;  
  double m_break; 
  Vec3 m_force;   
  Vec3 m_cpos;
  int  m_tag;     
  bool m_scaling; 
  
  CBondedInteraction(CParticle*,CParticle*);
 
 public:
  CBondedInteraction();
  CBondedInteraction(
    CParticle *particle1,
    CParticle *particle2,
    const CBondedIGP &params
  );
 
  virtual ~CBondedInteraction();
 
  static ScalarFieldFunction getScalarFieldFunction(const string&);
  static CheckedScalarFieldFunction getCheckedScalarFieldFunction(const string&);
  static VectorFieldFunction getVectorFieldFunction(const string&);
 
  static string getType() {return "Bonded";};
 
  virtual void calcForces();
  void setBreak(double);
  bool broken();
 
  inline int getTag() const {return m_tag;}
  inline void setTag(int tag) {m_tag = tag;}
 
  double getCriterion() const;
  double getPotentialEnergy() const;
  double getStrain() const;
  Vec3 getForce() const;
 
  virtual Vec3 getPos() const {return m_cpos;};
  virtual void saveCheckPointData(std::ostream &oStream);
 
  friend ostream& operator<<(ostream&,const CBondedInteraction&);
  friend class TML_PackedMessageInterface;
 
  // save/load of restart parameters
  virtual void saveRestartData(std::ostream &oStream);
  virtual void loadRestartData(std::istream &iStream);
};
 
#endif //__BONDEDINTERACTION_H