ddMd/analyzers/trajectory/ConfigWriter.cpp

/*
* 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 "ConfigWriter.h"
#include <util/mpi/MpiLoader.h>
#include <util/misc/ioUtil.h>

#include <sstream>

namespace DdMd
{

   using namespace Util;

   /*
   * Constructor.
   */
   ConfigWriter::ConfigWriter(Simulation& simulation) 
    : Analyzer(simulation),
      nSample_(0),
      isInitialized_(false)
   {  setClassName("ConfigWriter"); }

   /*
   * Read interval and outputFileName. 
   */
   void ConfigWriter::readParameters(std::istream& in) 
   {
      readInterval(in);
      readOutputFileName(in);
      isInitialized_ = true;
   }

   /*
   * Load internal state from an archive.
   */
   void ConfigWriter::loadParameters(Serializable::IArchive &ar)
   {
      loadInterval(ar);
      loadOutputFileName(ar);

      MpiLoader<Serializable::IArchive> loader(*this, ar);
      loader.load(nSample_);

      isInitialized_ = true;
   }

   /*
   * Save internal state to an archive.
   */
   void ConfigWriter::save(Serializable::OArchive &ar)
   {
      saveInterval(ar);
      saveOutputFileName(ar);
      ar << nSample_;
   }

   /*
   * Read interval and outputFileName. 
   */
   void ConfigWriter::clear() 
   {  nSample_ = 0; }

   /*
   * Dump configuration to file
   */
   void ConfigWriter::sample(long iStep) 
   {
      if (isAtInterval(iStep))  {

         // Construct new fileName: outputFileName + toString(nSample)
         std::string filename;
         filename  = outputFileName();
         filename += toString(nSample_);

         // Open output file, write data, and close file
         //simulation().fileMaster().openOutputFile(filename, outputFile_);
         simulation().writeConfig(filename);
         //outputFile_.close();
         ++nSample_;

      }
   }

}