Bond_Type.h

#ifndef QNANO_NEW_BOND_TYPE_DEFINED_H
#define QNANO_NEW_BOND_TYPE_DEFINED_H
#include "structure/Lattice.h"

class Bond_Type{
public:
  int element[2];
  std::pair<int, int> indices;
  const Lattice *lat;
  
  bool was_set_up()const{
    return lat!=NULL;
  }
  const Vec3d &get_D()const{
    return lat->list[indices.first][indices.second].D;
  }
  
  void calculate_from_vector(const Lattice *l, int el0, int el1, const Vec3d &v);


  void copy(const Bond_Type &other){
    element[0]=other.element[0];
    element[1]=other.element[1];
    indices=other.indices;
    lat=other.lat;
  }
  Bond_Type(){
    lat=NULL;
  }
  Bond_Type(const Lattice *l, int el0, int el1, const Vec3d &v){
    calculate_from_vector(l,el0,el1,v);
  }
};

#endif