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:	3102
Committed:	Fri Dec 29 21:43:18 2006 UTC (17 years, 6 months ago) by gezelter
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.
#	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	/**
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	void setNeedCOMprops(bool ncp) {
75	needCOMprops_ = ncp;
76	}
77
78	void readFrame(int whichFrame);
79
80	private:
81
82	void scanFile();
83
84	void readSet(int whichFrame);
85
86	void parseDumpLine(const std::string&);
87
88	void readFrameProperties(std::istream& inputStream);
89
90	void readStuntDoubles(std::istream& inputStream);
91
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	bool needAngMom_;
107	bool needCOMprops_;
108
109	const static int bufferSize = 4096;
110	char buffer[bufferSize];
111	};
112
113	} //end namespace oopse
114
115	#endif //IO_DUMPREADER_HPP