src/io/DumpReader.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. 
 */ 
  
/** 
 * @file DumpReader.hpp 
 * @author tlin 
 * @date 11/15/2004 
 * @time 09:25am 
 * @version 2.0 
 */ 
 
#ifndef IO_DUMPREADER_HPP 
#define IO_DUMPREADER_HPP 
 
#include <cstdio> 
#include <string> 
#include "brains/SimInfo.hpp" 
#include "primitives/StuntDouble.hpp" 
namespace oopse { 
 
  /** 
   * @class DumpReader DumpReader.hpp "io/DumpReader.hpp" 
   * @todo get rid of more junk code from DumpReader 
   */ 
  class DumpReader { 
  public: 
 
    DumpReader(SimInfo* info, const std::string & filename); 
    //DumpReader(SimInfo * info, istream & is); 
 
    ~DumpReader(); 
 
    /** Returns the number of frames in the dump file*/ 
    int getNFrames(); 
 
    void setNeedCOMprops(bool ncp) {
      needCOMprops_ = ncp;
    }
         
    void readFrame(int whichFrame); 
 
  private: 
 
    void scanFile(); 
 
    void readSet(int whichFrame); 
 
    void parseDumpLine(const std::string&); 
 
    void readFrameProperties(std::istream& inputStream);

    void readStuntDoubles(std::istream& inputStream);                  
         
    SimInfo* info_; 
 
    std::string filename_; 
    bool isScanned_; 
 
    int nframes_; 
 
    std::istream* inFile_; 
     
    std::vector<std::streampos> framePos_; 
 
    bool needPos_; 
    bool needVel_; 
    bool needQuaternion_; 
    bool needAngMom_;
    bool needCOMprops_;

    const static int bufferSize = 4096;
    char buffer[bufferSize];
  }; 
 
}      //end namespace oopse 
 
#endif //IO_DUMPREADER_HPP 
Revision:	1104
Committed:	Fri Dec 29 21:43:18 2006 UTC (18 years, 4 months ago) by gezelter
Original Path:	*trunk/src/io/DumpReader.hpp*
File size:	3599 byte(s)
Log Message:	Adding the ability to compute Center of Mass properties on reading in a dump file. DumpReader must be told if it needs to do this, however.
#	User	Rev	Content
1	chrisfen	721	/*
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			/**
43			* @file DumpReader.hpp
44			* @author tlin
45			* @date 11/15/2004
46			* @time 09:25am
47			* @version 2.0
48			*/
49
50			#ifndef IO_DUMPREADER_HPP
51			#define IO_DUMPREADER_HPP
52
53			#include <cstdio>
54			#include <string>
55			#include "brains/SimInfo.hpp"
56			#include "primitives/StuntDouble.hpp"
57			namespace oopse {
58
59			/**
60			* @class DumpReader DumpReader.hpp "io/DumpReader.hpp"
61			* @todo get rid of more junk code from DumpReader
62			*/
63			class DumpReader {
64			public:
65
66			DumpReader(SimInfo* info, const std::string & filename);
67			//DumpReader(SimInfo * info, istream & is);
68
69			~DumpReader();
70
71			/** Returns the number of frames in the dump file*/
72			int getNFrames();
73
74	gezelter	1104	void setNeedCOMprops(bool ncp) {
75			needCOMprops_ = ncp;
76			}
77	chrisfen	721
78			void readFrame(int whichFrame);
79
80			private:
81
82			void scanFile();
83
84			void readSet(int whichFrame);
85
86	tim	1024	void parseDumpLine(const std::string&);
87	chrisfen	721
88	tim	1024	void readFrameProperties(std::istream& inputStream);
89
90	gezelter	1104	void readStuntDoubles(std::istream& inputStream);
91	chrisfen	721
92			SimInfo* info_;
93
94			std::string filename_;
95			bool isScanned_;
96
97			int nframes_;
98
99			std::istream* inFile_;
100
101			std::vector<std::streampos> framePos_;
102
103			bool needPos_;
104			bool needVel_;
105			bool needQuaternion_;
106	gezelter	1104	bool needAngMom_;
107			bool needCOMprops_;
108	tim	1024
109			const static int bufferSize = 4096;
110			char buffer[bufferSize];
111	chrisfen	721	};
112
113			} //end namespace oopse
114
115			#endif //IO_DUMPREADER_HPP