src/brains/SimSnapshotManager.hpp

/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 2. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the appropriate papers when you publish your
 * 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, 24107 (2008).          
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */
 
/**
 * @file SimSnapshotManager.hpp
 * @author tlin
 * @date 10/20/2004
 * @time 23:56am
 * @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 storageLayout = 0);
    ~SimSnapshotManager();
    virtual bool advance();

    virtual Snapshot* getSnapshot(int id);
            
    virtual int getCapacity();

    virtual void setCapacity(int capacity);
            
  private:
    SimInfo* info_;
  };

}
#endif //BRAINS_SIMSNAPSHOTMANAGER_HPP
Revision:	1710
Committed:	Fri May 18 21:44:02 2012 UTC (12 years, 11 months ago) by gezelter
File size:	3182 byte(s)
Log Message:	Added an adapter layer between the AtomType and the rest of the code to handle the bolt-on capabilities of new types. Fixed a long-standing bug in how storageLayout was being set to the maximum possible value. Started to add infrastructure for Polarizable and fluc-Q calculations.
#	User	Rev	Content
1	gezelter	507	/*
2	gezelter	246	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3	tim	149	*
4	gezelter	246	* The University of Notre Dame grants you ("Licensee") a
5			* non-exclusive, royalty free, license to use, modify and
6			* redistribute this software in source and binary code form, provided
7			* that the following conditions are met:
8			*
9	gezelter	1390	* 1. Redistributions of source code must retain the above copyright
10	gezelter	246	* notice, this list of conditions and the following disclaimer.
11			*
12	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
13	gezelter	246	* notice, this list of conditions and the following disclaimer in the
14			* documentation and/or other materials provided with the
15			* distribution.
16			*
17			* This software is provided "AS IS," without a warranty of any
18			* kind. All express or implied conditions, representations and
19			* warranties, including any implied warranty of merchantability,
20			* fitness for a particular purpose or non-infringement, are hereby
21			* excluded. The University of Notre Dame and its licensors shall not
22			* be liable for any damages suffered by licensee as a result of
23			* using, modifying or distributing the software or its
24			* derivatives. In no event will the University of Notre Dame or its
25			* licensors be liable for any lost revenue, profit or data, or for
26			* direct, indirect, special, consequential, incidental or punitive
27			* damages, however caused and regardless of the theory of liability,
28			* arising out of the use of or inability to use software, even if the
29			* University of Notre Dame has been advised of the possibility of
30			* such damages.
31	gezelter	1390	*
32			* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
33			* research, please cite the appropriate papers when you publish your
34			* work. Good starting points are:
35			*
36			* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37			* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38			* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	gezelter	1665	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40			* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41	tim	149	*/
42
43	gezelter	507	/**
44			* @file SimSnapshotManager.hpp
45			* @author tlin
46			* @date 10/20/2004
47			* @time 23:56am
48			* @version 1.0
49			*/
50	gezelter	246	#ifndef BRAINS_SIMSNAPSHOTMANAGER_HPP
51			#define BRAINS_SIMSNAPSHOTMANAGER_HPP
52	tim	149
53	gezelter	246	#include "brains/Snapshot.hpp"
54	tim	149	#include "brains/SnapshotManager.hpp"
55
56	gezelter	1390	namespace OpenMD{
57	tim	149
58	gezelter	507	//forward declaration
59			class SimInfo;
60			/**
61			* @class SimSnapshotManager SimSnapshotManager.hpp "brains/SimSnapshotManager.hpp"
62			* @brief SimSnapshotManager class is the concrete snapshot manager for actual simulation
63			* SimSnapshotManager only maintains two snapshots.
64			* @see PropSimSnapshotManager
65			*/
66			class SimSnapshotManager : public SnapshotManager {
67			public:
68	gezelter	1710	SimSnapshotManager(SimInfo* info, int storageLayout = 0);
69	gezelter	507	~SimSnapshotManager();
70			virtual bool advance();
71	tim	149
72	gezelter	507	virtual Snapshot* getSnapshot(int id);
73	tim	149
74	gezelter	507	virtual int getCapacity();
75	tim	149
76	gezelter	507	virtual void setCapacity(int capacity);
77	tim	149
78	gezelter	507	private:
79			SimInfo* info_;
80			};
81	tim	149
82			}
83	gezelter	246	#endif //BRAINS_SIMSNAPSHOTMANAGER_HPP