DCDTrajectoryReader.h

#ifndef MCMD_DCD_TRAJECTORY_READER_H
#define MCMD_DCD_TRAJECTORY_READER_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 <mcMd/trajectory/TrajectoryReader.h> // base class
#include <simp/boundary/Boundary.h>           // typedef
#include <util/containers/DArray.h>           // member

#include <fstream>

namespace McMd
{

   using namespace Util;
   using namespace Simp;
   
   class DCDTrajectoryReader : public TrajectoryReader
   {
   
   public:

      DCDTrajectoryReader(System& system);

      virtual ~DCDTrajectoryReader();
 
      void open(std::string filename);
 
      bool readFrame();

      void close();

      private:

          std::fstream file_;

          int nAtoms_;

          int nFrames_;

          int frameId_;

          DArray<float> xBuffer_;

          DArray<float> yBuffer_;

          DArray<float> zBuffer_;

   }; 

} 
#endif