OrderParamNucleation.h

#ifndef DDMD_ORDER_PARAM_NUCLEATION_H
#define DDMD_ORDER_PARAM_NUCLEATION_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/analyzers/Analyzer.h>
#include <ddMd/simulation/Simulation.h>
#include <util/containers/DMatrix.h>               // member template

#include <util/global.h>

#include <iostream>

namespace DdMd
{

   using namespace Util;

   class OrderParamNucleation : public Analyzer
   {

   public:

      OrderParamNucleation(Simulation& simulation);

      ~OrderParamNucleation();

      virtual void readParameters(std::istream& in);

      virtual void loadParameters(Serializable::IArchive &ar);

      virtual void save(Serializable::OArchive &ar);
  
      virtual void clear();
   
      void sample(long iStep);

      virtual void output();

   protected:

      std::ofstream outputFile_;

      int  nAtomType_;

      DMatrix<double> cosFactors_;

      DMatrix<double> totalCosFactors_;
      
      int  perpIndex_;

      int parallelIndex_;

      int periodicity_;

      int nBin_;

      int  nSample_;

      bool isInitialized_;

   };

}
#endif