tools/storage/AtomStorage.h

#ifndef TOOLS_ATOM_STORAGE_H
#define TOOLS_ATOM_STORAGE_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 <tools/chemistry/Atom.h>              // member (template argument)
#include <tools/chemistry/Group.h>             // member (template argument)

#include <util/containers/DArray.h>           // member (template)
#include <util/containers/DSArray.h>          // member (template)
#include <util/containers/ArrayIterator.h>    // inline function


namespace Tools
{

   using namespace Util;

   class AtomStorage
   {

   public:

      typedef ArrayIterator<Atom> Iterator;

      AtomStorage();

      ~AtomStorage();

      void allocate(int capacity);

      Atom* newPtr();

      void add();

      void clear();

      Atom* ptr(int id);

      void begin(Iterator& iter);

      int capacity() const;

      int size() const;

   private:

      DSArray<Atom> atoms_;

      DArray<Atom*> atomPtrs_;

      Atom* newPtr_;

   };

   // inline functions

   /*
   * Return number of atoms.
   */
   inline int AtomStorage::size() const
   {  return atoms_.size(); }

   /*
   * Get atom capacity (maximum id + 1).
   */
   inline
   int AtomStorage::capacity() const
   {  return atoms_.capacity(); }

   /*
   * Return a pointer to an atom with a specific id.
   */
   inline Atom* AtomStorage::ptr(int id)
   {  return atomPtrs_[id]; }

   /*
   * Initialize an iterator for atoms.
   */
   inline
   void AtomStorage::begin(AtomStorage::Iterator& iter)
   {  atoms_.begin(iter); }

}
#endif