SnapshotManager.hpp

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 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the following paper when you publish your work:
 *
 * [1] Drisko et al., J. Open Source Softw. 9, 7004 (2024).
 *
 * Good starting points for code and simulation methodology are:
 *
 * [2] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
 * [3] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
 * [4] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
 * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 * [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
 * [7] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 * [9] Drisko & Gezelter, J. Chem. Theory Comput. 20, 4986-4997 (2024).
 */
 
/**
 * @file SnapshotManager.hpp
 * @author tlin
 * @date 10/20/2004
 * @version 1.0
 */
 
#ifndef BRAINS_SNAPSHOTMANAGER_HPP
#define BRAINS_SNAPSHOTMANAGER_HPP
 
#include "brains/Snapshot.hpp"
 
namespace OpenMD {
 
  /**
   * @class SnapshotManager SnapshotManager.hpp "brains/SnapshotManager.hpp"
   * @brief SnapshotManager class is an abstract class which maintains
   * a series of snapshots.
   *
   * @see SimSnapshotManager
   * @see PropSnapshotManager
   */
  class SnapshotManager {
  public:
    virtual ~SnapshotManager() {
      delete currentSnapshot_;
      delete previousSnapshot_;
    }
 
    virtual bool advance() { return true; }
    virtual bool resetToPrevious() { return true; }
 
    virtual Snapshot* getSnapshot(int id) = 0;
 
    /**
     * Returns the pointer of previous snapshot
     * @return the pointer of previous snapshot
     */
    Snapshot* getPrevSnapshot() { return previousSnapshot_; }
 
    /**
     * Returns the pointer of current snapshot
     * @return the pointer of current snapshot
     */
    Snapshot* getCurrentSnapshot() { return currentSnapshot_; }
 
    int getAtomStorageLayout() { return atomStorageLayout_; }
    int getRigidBodyStorageLayout() { return rigidBodyStorageLayout_; }
    int getCutoffGroupStorageLayout() { return cutoffGroupStorageLayout_; }
 
  private:
    int atomStorageLayout_;
    int rigidBodyStorageLayout_;
    int cutoffGroupStorageLayout_;
 
  protected:
    SnapshotManager(int atomStorageLayout, int rigidBodyStorageLayout,
                    int cutoffGroupStorageLayout) :
        atomStorageLayout_(atomStorageLayout),
        rigidBodyStorageLayout_(rigidBodyStorageLayout),
        cutoffGroupStorageLayout_(cutoffGroupStorageLayout),
        currentSnapshot_(NULL), previousSnapshot_(NULL) {}
 
    Snapshot* currentSnapshot_;
    Snapshot* previousSnapshot_;
  };
}  // namespace OpenMD
 
#endif  // BRAINS_SNAPSHOTMANAGER_HPP