SimSnapshotManager.hpp

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 * work.  Good starting points are:
 *
 * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
 * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
 * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
 * [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 * [5] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
 * [6] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
 * [7] Lamichhane, Newman & Gezelter, J. Chem. Phys. 141, 134110 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 */
 
/**
 * @file SimSnapshotManager.hpp
 * @author tlin
 * @date 10/20/2004
 * @version 1.0
 */
 
#ifndef BRAINS_SIMSNAPSHOTMANAGER_HPP
#define BRAINS_SIMSNAPSHOTMANAGER_HPP
 
#include "brains/Snapshot.hpp"
#include "brains/SnapshotManager.hpp"
 
namespace OpenMD {
 
  // forward declaration
  class SimInfo;
  /**
   * @class SimSnapshotManager SimSnapshotManager.hpp
   * "brains/SimSnapshotManager.hpp"
   * @brief SimSnapshotManager class is the concrete snapshot manager for actual
   * simulation SimSnapshotManager only maintains two snapshots.
   * @see PropSimSnapshotManager
   */
  class SimSnapshotManager : public SnapshotManager {
  public:
    SimSnapshotManager(SimInfo* info, int atomStorageLayout = 0,
                       int rigidBodyStorageLayout   = 0,
                       int cutoffGroupStorageLayout = 0);
    ~SimSnapshotManager();
    virtual bool advance();
    virtual bool resetToPrevious();
 
    virtual Snapshot* getSnapshot(int id);
 
    virtual int getCapacity();
 
    virtual void setCapacity(int);
 
  private:
    SimInfo* info_ {nullptr};
  };
}  // namespace OpenMD
 
#endif  // BRAINS_SIMSNAPSHOTMANAGER_HPP