tools/chemistry/Atom.h

#ifndef TOOLS_ATOM_H
#define TOOLS_ATOM_H

/*
* Simpatico - Simulation Package for Polymeric and Molecular Liquids
*
* Copyright 2010 - 2017, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/

#include <util/space/Vector.h>            // members

namespace Tools
{

   using namespace Util;

   struct Atom
   {

   public:

      Vector position;    

      Vector velocity;    

      int typeId;         

      int id;             

      int speciesId;      

      int moleculeId;     

      int atomId;         

      /*
      * The speciesId, moleculeId and atomId indices are not contained
      * in all configuration file formats, and are thus optional.
      */

   };

}
#endif