AtomDistributor.h

#ifndef DDMD_ATOM_DISTRIBUTOR_H
#define DDMD_ATOM_DISTRIBUTOR_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/chemistry/AtomArray.h>        // member
#include <ddMd/chemistry/Atom.h>             // member
#include <simp/boundary/Boundary.h>          // typedef
#include <util/param/ParamComposite.h>       // base class
#include <util/containers/ArrayStack.h>      // member
#include <util/containers/DMatrix.h>         // member
#include <util/containers/DArray.h>          // member

namespace DdMd
{

   class Domain;
   class Buffer;
   class AtomStorage;

   using namespace Util;
   using namespace Simp;

   class AtomDistributor : public ParamComposite
   {

   public:

      AtomDistributor();

      ~AtomDistributor();

      void associate(Domain& domain, Boundary& boundary,
                     AtomStorage& storage, Buffer& buffer);

      void setCapacity(int cacheCapacity);

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

      #ifdef UTIL_MPI

      void setup();
      #endif

      Atom* newAtomPtr();

      int addAtom();

      #ifdef UTIL_MPI

      void send();

      void receive();
      #endif

      int validate();

   private:

      AtomArray cache_;

      ArrayStack<Atom> reservoir_;

      #ifdef UTIL_MPI

      DMatrix<Atom*> sendArrays_;

      DArray<int> sendSizes_;
      #endif

      Boundary* boundaryPtr_;

      Domain* domainPtr_;

      AtomStorage* storagePtr_;

      #ifdef UTIL_MPI

      Buffer* bufferPtr_;
      #endif

      Atom* newPtr_;

      int cacheCapacity_;

      int sendCapacity_;

      int rankMaxSendSize_;

      int nCachedTotal_;

      int nSentTotal_;

      bool isAllocated_;

      void allocate();

   };

}
#endif