src/io/DumpWriter.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. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. 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.
 */
 
#ifndef IO_DUMPWRITER_HPP
#define IO_DUMPWRITER_HPP

#define _LARGEFILE_SOURCE64
#ifndef _FILE_OFFSET_BITS
#define _FILE_OFFSET_BITS 64
#endif
#include <iostream>
#include <fstream>
#include <string>
#include <string.h>
#include <stdio.h>
#include <stdlib.h>
#include <unistd.h>
#include <sys/types.h>
#include <sys/stat.h>

#include "primitives/Atom.hpp"
#include "brains/SimInfo.hpp"
#include "brains/Thermo.hpp"
#include "primitives/StuntDouble.hpp"

namespace oopse {

  /**
   * @class DumpWriter DumpWriter.hpp "io/DumpWriter.hpp"
   * @todo 
   */
  class DumpWriter{

  public:
    DumpWriter(SimInfo* info);
    DumpWriter(SimInfo* info, const std::string& filename);
    DumpWriter(SimInfo* info, const std::string& filename,  bool writeDumpFile);
    ~DumpWriter();

    void writeDumpAndEor();
    void writeDump();
    void writeEor();
    
  private:  
        
    void writeFrame(std::ostream& os);
    void writeFrameProperties(std::ostream& os, Snapshot* s);
    std::string prepareDumpLine(StuntDouble* integrableObject);
    std::ostream* createOStream(const std::string& filename);
    void writeClosing(std::ostream& os);
    
    SimInfo* info_;
    std::string filename_;
    std::ostream* dumpFile_;
    std::string eorFilename_;
    bool needCompression_;
    bool needForceVector_;
    bool createDumpFile_;
  };

}
#endif //#define IO_DUMPWRITER_HPP
Revision:	2982
Committed:	Wed Aug 30 18:42:29 2006 UTC (17 years, 10 months ago) by tim
File size:	3454 byte(s)
Log Message:	Massive changes preparing for release of OOPSE-4: The main difference is that the new MD file format (.md, .dump, .eor) now contains meta-data information along with the configuration information.
#	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. 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
19	* notice, this list of conditions and the following disclaimer.
20	*
21	* 3. Redistributions in binary form must reproduce the above copyright
22	* notice, this list of conditions and the following disclaimer in the
23	* documentation and/or other materials provided with the
24	* distribution.
25	*
26	* This software is provided "AS IS," without a warranty of any
27	* kind. All express or implied conditions, representations and
28	* warranties, including any implied warranty of merchantability,
29	* fitness for a particular purpose or non-infringement, are hereby
30	* excluded. The University of Notre Dame and its licensors shall not
31	* be liable for any damages suffered by licensee as a result of
32	* using, modifying or distributing the software or its
33	* derivatives. In no event will the University of Notre Dame or its
34	* licensors be liable for any lost revenue, profit or data, or for
35	* direct, indirect, special, consequential, incidental or punitive
36	* damages, however caused and regardless of the theory of liability,
37	* arising out of the use of or inability to use software, even if the
38	* University of Notre Dame has been advised of the possibility of
39	* such damages.
40	*/
41
42	#ifndef IO_DUMPWRITER_HPP
43	#define IO_DUMPWRITER_HPP
44
45	#define _LARGEFILE_SOURCE64
46	#ifndef _FILE_OFFSET_BITS
47	#define _FILE_OFFSET_BITS 64
48	#endif
49	#include <iostream>
50	#include <fstream>
51	#include <string>
52	#include <string.h>
53	#include <stdio.h>
54	#include <stdlib.h>
55	#include <unistd.h>
56	#include <sys/types.h>
57	#include <sys/stat.h>
58
59	#include "primitives/Atom.hpp"
60	#include "brains/SimInfo.hpp"
61	#include "brains/Thermo.hpp"
62	#include "primitives/StuntDouble.hpp"
63
64	namespace oopse {
65
66	/**
67	* @class DumpWriter DumpWriter.hpp "io/DumpWriter.hpp"
68	* @todo
69	*/
70	class DumpWriter{
71
72	public:
73	DumpWriter(SimInfo* info);
74	DumpWriter(SimInfo* info, const std::string& filename);
75	DumpWriter(SimInfo* info, const std::string& filename, bool writeDumpFile);
76	~DumpWriter();
77
78	void writeDumpAndEor();
79	void writeDump();
80	void writeEor();
81
82	private:
83
84	void writeFrame(std::ostream& os);
85	void writeFrameProperties(std::ostream& os, Snapshot* s);
86	std::string prepareDumpLine(StuntDouble* integrableObject);
87	std::ostream* createOStream(const std::string& filename);
88	void writeClosing(std::ostream& os);
89
90	SimInfo* info_;
91	std::string filename_;
92	std::ostream* dumpFile_;
93	std::string eorFilename_;
94	bool needCompression_;
95	bool needForceVector_;
96	bool createDumpFile_;
97	};
98
99	}
100	#endif //#define IO_DUMPWRITER_HPP