Atom.h

#ifndef QNANO_NEW_ATOM_DEFINED_H
#define QNANO_NEW_ATOM_DEFINED_H

#include "tools/Vec3d.h"

class Atom{
public:
  int element;
  Vec3d pos;

  //setter and constructors
  inline void set(int i, Vec3d v){
    element=i; 
    pos=v;
  }
  Atom(){};
  Atom(int element_, Vec3d pos_):element(element_),pos(pos_){};
  Atom(int element_, double x, double y, double z):element(element_),pos(x,y,z){};
  
  //additional operators:
 
  Atom & operator+=(const Vec3d &otherpos){
    pos+=otherpos;
    return *this;
  }
};
//distance between atoms:
inline double dist(const Atom &a1, const Atom &a2){
  return dist(a1.pos, a2.pos);
}
Atom operator+(const Atom& a, const Vec3d& pos);

#endif