src/io/StatWriter.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 StatWriter.hpp
 * @author tlin
 * @date 11/08/2004
 * @time 10:03am
 * @version 1.0
 */


#ifndef IO_STATWRITER_HPP
#define IO_STATWRITER_HPP
#include <bitset>
#include <fstream>
#include <iostream>
#include <string>
#include <string.h>

#include "brains/Stats.hpp"
#include "utils/StringTokenizer.hpp"
#include "utils/CaseConversion.hpp"
#include "utils/simError.h"

namespace OpenMD {

  typedef std::bitset<Stats::ENDINDEX-Stats::BEGININDEX> StatsBitSet;

  StatsBitSet parseStatFileFormat(const std::string& format);
  
  /**
   * @class StatWriter StatWriter.hpp "io/StatWriter.hpp"
   * @brief A configurable Statistics Writer
   */
  class StatWriter {
  public:
    StatWriter(const std::string& filename, const StatsBitSet& mask);
    ~StatWriter();

    void writeStat(const Stats& s);

    StatsBitSet getMask() {
      return mask_;
    }
        
  private:

    void writeTitle();
        
    std::ofstream statfile_;
    StatsBitSet mask_;
        
  };

}
#endif //IO_STATWRITER_HPP
Revision:	1665
Committed:	Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
File size:	3198 byte(s)
Log Message:	updated copyright notices
#	User	Rev	Content
1	gezelter	507	/*
2	gezelter	246	* 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	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	gezelter	246	*/
42
43
44	gezelter	507	/**
45			* @file StatWriter.hpp
46			* @author tlin
47			* @date 11/08/2004
48			* @time 10:03am
49			* @version 1.0
50			*/
51	gezelter	246
52
53			#ifndef IO_STATWRITER_HPP
54			#define IO_STATWRITER_HPP
55			#include <bitset>
56			#include <fstream>
57			#include <iostream>
58	tim	681	#include <string>
59	gezelter	246	#include <string.h>
60
61			#include "brains/Stats.hpp"
62	tim	681	#include "utils/StringTokenizer.hpp"
63			#include "utils/CaseConversion.hpp"
64			#include "utils/simError.h"
65	gezelter	246
66	gezelter	1390	namespace OpenMD {
67	gezelter	246
68	gezelter	507	typedef std::bitset<Stats::ENDINDEX-Stats::BEGININDEX> StatsBitSet;
69	gezelter	246
70	tim	681	StatsBitSet parseStatFileFormat(const std::string& format);
71
72	gezelter	507	/**
73			* @class StatWriter StatWriter.hpp "io/StatWriter.hpp"
74			* @brief A configurable Statistics Writer
75			*/
76			class StatWriter {
77			public:
78	tim	681	StatWriter(const std::string& filename, const StatsBitSet& mask);
79	gezelter	507	~StatWriter();
80	gezelter	246
81	gezelter	507	void writeStat(const Stats& s);
82	gezelter	246
83	gezelter	507	StatsBitSet getMask() {
84			return mask_;
85			}
86	gezelter	246
87	gezelter	507	private:
88	gezelter	246
89	gezelter	507	void writeTitle();
90	gezelter	246
91	gezelter	507	std::ofstream statfile_;
92			StatsBitSet mask_;
93	gezelter	246
94	gezelter	507	};
95	gezelter	246
96			}
97			#endif //IO_STATWRITER_HPP