src/brains/BlockSnapshotManager.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, 234107 (2008).          
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */
#ifndef BRAINS_BLOCKSNAPSHOTMANAGER_HPP
#define BRAINS_BLOCKSNAPSHOTMANAGER_HPP
#include <vector>

#include "brains/SnapshotManager.hpp"
namespace OpenMD {

  class SimInfo;
  class DumpReader;

  typedef std::pair<int, int> SnapshotBlock;

  /**
   * @class BlockSnapshotManager
   * @todo document
   */
  class BlockSnapshotManager : public SnapshotManager{

  public:
    BlockSnapshotManager(SimInfo* info, const std::string& filename, int storageLayout, long long int memSize, int blockCapacity = 2);
    ~BlockSnapshotManager();
        
    virtual Snapshot* getSnapshot(int id);


    /** Returns number of snapshot blocks in this BlockSnapshotManager*/
    int getNBlocks() {
      return blocks_.size();
    }

    SnapshotBlock getSnapshotBlock(int block) {
      return blocks_.at(block);
    }
        
    int getNActiveBlocks();

    void needCOMprops(bool ncp);


    bool isBlockActive(int block) {
      return  findActiveBlock(block) != activeBlocks_.end() ? true : false;
    }        

    bool loadBlock(int block);
        
    bool unloadBlock(int block);

    std::vector<int> getActiveBlocks();

    int getBlockCapacity() {
      return blockCapacity_;                
    }

    int getNFrames();
        
  private:

    std::vector<int>::iterator findActiveBlock(int block) {
      return std::find(activeBlocks_.begin(), activeBlocks_.end(), block);
    }

    bool hasZeroRefBlock();

    int getFirstZeroRefBlock();

    void internalLoad(int block);
    void internalUnload(int block);
    Snapshot* loadFrame(int frame);
        
    SimInfo* info_;
    int blockCapacity_;
    long long int memSize_;

    std::vector<Snapshot*> snapshots_;
    std::vector<SnapshotBlock> blocks_;        
    std::vector<int> activeBlocks_;
    std::vector<int> activeRefCount_;
        
    int nAtoms_;
    int nRigidBodies_;
    int nCutoffGroups_;
    
    DumpReader* reader_;
    int nframes_;
    int nSnapshotPerBlock_;

  };

}

#endif
Revision:	1879
Committed:	Sun Jun 16 15:15:42 2013 UTC (12 years, 4 months ago) by gezelter
File size:	4148 byte(s)
Log Message:	MERGE OpenMD development 1783:1878 into trunk
#	Content
1	/*
2	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3	*
4	* 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	* 1. Redistributions of source code must retain the above copyright
10	* notice, this list of conditions and the following disclaimer.
11	*
12	* 2. Redistributions in binary form must reproduce the above copyright
13	* 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	*
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, 234107 (2008).
39	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40	* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41	*/
42	#ifndef BRAINS_BLOCKSNAPSHOTMANAGER_HPP
43	#define BRAINS_BLOCKSNAPSHOTMANAGER_HPP
44	#include <vector>
45
46	#include "brains/SnapshotManager.hpp"
47	namespace OpenMD {
48
49	class SimInfo;
50	class DumpReader;
51
52	typedef std::pair<int, int> SnapshotBlock;
53
54	/**
55	* @class BlockSnapshotManager
56	* @todo document
57	*/
58	class BlockSnapshotManager : public SnapshotManager{
59
60	public:
61	BlockSnapshotManager(SimInfo* info, const std::string& filename, int storageLayout, long long int memSize, int blockCapacity = 2);
62	~BlockSnapshotManager();
63
64	virtual Snapshot* getSnapshot(int id);
65
66
67	/** Returns number of snapshot blocks in this BlockSnapshotManager*/
68	int getNBlocks() {
69	return blocks_.size();
70	}
71
72	SnapshotBlock getSnapshotBlock(int block) {
73	return blocks_.at(block);
74	}
75
76	int getNActiveBlocks();
77
78	void needCOMprops(bool ncp);
79
80
81	bool isBlockActive(int block) {
82	return findActiveBlock(block) != activeBlocks_.end() ? true : false;
83	}
84
85	bool loadBlock(int block);
86
87	bool unloadBlock(int block);
88
89	std::vector<int> getActiveBlocks();
90
91	int getBlockCapacity() {
92	return blockCapacity_;
93	}
94
95	int getNFrames();
96
97	private:
98
99	std::vector<int>::iterator findActiveBlock(int block) {
100	return std::find(activeBlocks_.begin(), activeBlocks_.end(), block);
101	}
102
103	bool hasZeroRefBlock();
104
105	int getFirstZeroRefBlock();
106
107	void internalLoad(int block);
108	void internalUnload(int block);
109	Snapshot* loadFrame(int frame);
110
111	SimInfo* info_;
112	int blockCapacity_;
113	long long int memSize_;
114
115	std::vector<Snapshot*> snapshots_;
116	std::vector<SnapshotBlock> blocks_;
117	std::vector<int> activeBlocks_;
118	std::vector<int> activeRefCount_;
119
120	int nAtoms_;
121	int nRigidBodies_;
122	int nCutoffGroups_;
123
124	DumpReader* reader_;
125	int nframes_;
126	int nSnapshotPerBlock_;
127
128	};
129
130	}
131
132	#endif