/* * atom_atominfo.hpp * * Created on: Oct 19, 2009 * Author: heber */ #ifndef ATOM_ATOMINFO_HPP_ #define ATOM_ATOMINFO_HPP_ using namespace std; /*********************************************** includes ***********************************/ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "vector.hpp" /****************************************** forward declarations *****************************/ class element; /********************************************** declarations *******************************/ class AtomInfo { public: Vector x; //!< coordinate vector of atom, giving last position within cell Vector v; //!< velocity vector of atom, giving last velocity within cell Vector F; //!< Force vector of atom, giving last force within cell const element *type; //!< pointing to element AtomInfo(); ~AtomInfo(); const element *getType(); void setType(const element *); void setType(int); private: }; #endif /* ATOM_ATOMINFO_HPP_ */