DdMdOrderedConfigIo.h

#ifndef DDMD_DDMD_ORDERED_CONFIG_IO_H
#define DDMD_DDMD_ORDERED_CONFIG_IO_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 <ddMd/configIos/ConfigIo.h>
#include <util/space/Vector.h>

#include <vector>

namespace DdMd
{

   class Simulation;

   using namespace Util;

   class DdMdOrderedConfigIo  : public ConfigIo
   {

   public:

      DdMdOrderedConfigIo(bool hasMolecules);

      DdMdOrderedConfigIo(Simulation& simulation, bool hasMolecules);

      virtual void readConfig(std::ifstream& file, MaskPolicy maskPolicy);

      virtual void writeConfig(std::ofstream& file);
   
   private:

      /*
      * Struct for atom data required in file format.  
      */
      struct IoAtom {

         Vector position;
         Vector velocity;
         int typeId;
         int id;
         AtomContext context;

         IoAtom()
          : position(0.0),
            velocity(0.0),
            typeId(-1),
            id(-1)
         {}

      };

      /*
      * Struct containing a Group<N> and a group id.
      */
      template <int N>
      struct IoGroup {
         int    id;
         Group<N> group;
      };

      std::vector<IoAtom> atoms_;

      bool hasMolecules_;

      template <int N>
      void readGroups(std::ifstream& file, 
                      const char* sectionLabel, const char* nGroupLabel,
                      GroupDistributor<N>& distributor);

      template <int N>
      int writeGroups(std::ofstream& file, 
                      const char* sectionLabel, const char* nGroupLabel,
                      GroupStorage<N>& storage, GroupCollector<N>& collector);
   
   };

}
#endif