Cluster.h

#ifndef MCMD_CLUSTER_H
#define MCMD_CLUSTER_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 "ClusterLink.h"
#include <util/space/Tensor.h>
#include <util/space/Vector.h>
#include <util/global.h>
#include <mcMd/simulation/System.h>                   // base class templ param

namespace McMd
{
   class System;
   
   class Cluster
   {
   
   public:

      Cluster();

      ~Cluster();

      void clear();

      void setId(int id);

      void addLink(ClusterLink& link);

      int id() const
      {  return id_; }

      int size() const
      {  return size_; }

      ClusterLink* head() const
      {  return head_; }

      bool isValid() const;

      Vector clusterCOM( int atomTypeInCluster, Boundary const & boundary);

      Tensor momentTensor(int atomTypeInCluster, Boundary const & boundary);

   private:

      // Integer identifier for this cluster.
      int id_;

      // Number of molecules (or links) in this cluster.
      int size_;

      // Pointer to first link in singly-linked list.
      ClusterLink* head_;

   };

}
#endif