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root/OpenMD/trunk/src/brains/BlockSnapshotManager.hpp

Comparing trunk/src/brains/BlockSnapshotManager.hpp (file contents):
Revision 318 by tim, Sun Feb 13 06:57:48 2005 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC

#	Line 6 | Line 6
6		* redistribute this software in source and binary code form, provided
7		* that the following conditions are met:
8		*
9	<	* 1. Acknowledgement of the program authors must be made in any
10	<	*    publication of scientific results based in part on use of the
11	<	*    program.  An acceptable form of acknowledgement is citation of
12	<	*    the article in which the program was described (Matthew
13	<	*    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	<	*    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	<	*    Parallel Simulation Engine for Molecular Dynamics,"
16	<	*    J. Comput. Chem. 26, pp. 252-271 (2005))
17	<	*
18	<	* 2. Redistributions of source code must retain the above copyright
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
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.
#	Line 37 | Line 28
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, 24107 (2008).
39	+	* [4]  Vardeman & Gezelter, in progress (2009).
40		*/
41		#ifndef BRAINS_BLOCKSNAPSHOTMANAGER_HPP
42		#define BRAINS_BLOCKSNAPSHOTMANAGER_HPP
43	+	#include <vector>
44
45		#include "brains/SnapshotManager.hpp"
46	<	namespace oopse {
46	>	namespace OpenMD {
47
48	<	class SimInfo;
49	<	class DumpReader;
48	>	class SimInfo;
49	>	class DumpReader;
50
51	<	typedef std::pair<int, int> SnapshotBlock;
51	>	typedef std::pair<int, int> SnapshotBlock;
52
53	<	/**
54	<	* @class BlockSnapshotManager
55	<	* @todo document
56	<	*/
57	<	class BlockSnapshotMananger : public SnapshotManager{
53	>	/**
54	>	* @class BlockSnapshotManager
55	>	* @todo document
56	>	*/
57	>	class BlockSnapshotManager : public SnapshotManager{
58
59	<	public:
60	<	BlockSnapshotMananger(SimInfo* info, const std::string& filename, int storageLayout, int blockCapacity = 2);
61	<	~BlockSnapshotMananger();
59	>	public:
60	>	BlockSnapshotManager(SimInfo* info, const std::string& filename, int storageLayout, int blockCapacity = 2);
61	>	~BlockSnapshotManager();
62
63	<	virtual Snapshot* getSnapshot(int id);
63	>	virtual Snapshot* getSnapshot(int id);
64
64	–	/** Returns number of snapshot blocks in this BlockSnapshotManager*/
65	–	int getNBlocks() {
66	–	return blocks_.size();
67	–	}
65
66	<	SnapshotBlock getSnapshotBlock(int block) {
67	<	return blocks_.at(block);
68	<	}
66	>	/** Returns number of snapshot blocks in this BlockSnapshotManager*/
67	>	int getNBlocks() {
68	>	return blocks_.size();
69	>	}
70	>
71	>	SnapshotBlock getSnapshotBlock(int block) {
72	>	return blocks_.at(block);
73	>	}
74
75	<	int getNActiveBlocks();
75	>	int getNActiveBlocks();
76	>
77	>	void needCOMprops(bool ncp);
78	>
79	>
80	>	bool isBlockActive(int block) {
81	>	return  findActiveBlock(block) != activeBlocks_.end() ? true : false;
82	>	}
83	>
84	>	bool loadBlock(int block);
85
86	<	bool isBlockActive(int block);
76	<
77	<	bool loadBlock(int block);
78	<
79	<	bool unloadBlock(int block);
86	>	bool unloadBlock(int block);
87
88	<	std::vector<int> getActiveBlocks();
88	>	std::vector<int> getActiveBlocks();
89
90	<	int getBlockCapacity() {
91	<	return blockCapacity_;
92	<	}
90	>	int getBlockCapacity() {
91	>	return blockCapacity_;
92	>	}
93
94	<	int getNFrames() {
88	<	return reader_->getNFrames();
89	<	}
94	>	int getNFrames();
95
96	<	private:
96	>	private:
97
98	<	Snapshot* loadFrame(int frame);
98	>	std::vector<int>::iterator findActiveBlock(int block) {
99	>	return std::find(activeBlocks_.begin(), activeBlocks_.end(), block);
100	>	}
101	>
102	>	bool hasZeroRefBlock();
103	>
104	>	int getFirstZeroRefBlock();
105	>
106	>	void internalLoad(int block);
107	>	void internalUnload(int block);
108	>	Snapshot* loadFrame(int frame);
109
110	<	SimInfo* info_;
111	<	int storageLayout_;
97	<	int blockCapacity_;
110	>	SimInfo* info_;
111	>	int blockCapacity_;
112
113	<	std::vector<Snapshot*> snapshots_;
114	<	std::vector<SnapshotBlock> blocks_;
115	<	std::vector<int> activeBlocks_;
113	>	std::vector<Snapshot*> snapshots_;
114	>	std::vector<SnapshotBlock> blocks_;
115	>	std::vector<int> activeBlocks_;
116	>	std::vector<int> activeRefCount_;
117
118	<	int nAtoms_;
119	<	int nRigidBodies_;
118	>	int nAtoms_;
119	>	int nRigidBodies_;
120
121	<	DumpReader* reader_;
122	<	int nframes_;
123	<	int nSnapshotPerBlock_;
121	>	DumpReader* reader_;
122	>	int nframes_;
123	>	int nSnapshotPerBlock_;
124
125	<	};
125	>	};
126
127		}
128

Comparing trunk/src/brains/BlockSnapshotManager.hpp (property svn:keywords):
Revision 318 by tim, Sun Feb 13 06:57:48 2005 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC

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