| 1 | 
tim | 
619 | 
/*
 | 
| 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 | 
  | 
  | 
        
 | 
| 75 | 
  | 
  | 
    void readFrame(int whichFrame);
 | 
| 76 | 
  | 
  | 
 | 
| 77 | 
  | 
  | 
  private:
 | 
| 78 | 
  | 
  | 
 | 
| 79 | 
  | 
  | 
    void scanFile();
 | 
| 80 | 
  | 
  | 
 | 
| 81 | 
  | 
  | 
    void readSet(int whichFrame);
 | 
| 82 | 
  | 
  | 
 | 
| 83 | 
  | 
  | 
    void parseDumpLine(char *line, StuntDouble* integrableObject);
 | 
| 84 | 
  | 
  | 
 | 
| 85 | 
  | 
  | 
    void parseCommentLine(char* line, Snapshot* s);
 | 
| 86 | 
  | 
  | 
 | 
| 87 | 
  | 
  | 
 | 
| 88 | 
  | 
  | 
#ifdef IS_MPI
 | 
| 89 | 
  | 
  | 
 | 
| 90 | 
  | 
  | 
    void anonymousNodeDie(void);
 | 
| 91 | 
  | 
  | 
    void nodeZeroError(void);
 | 
| 92 | 
  | 
  | 
 | 
| 93 | 
  | 
  | 
#endif                
 | 
| 94 | 
  | 
  | 
    // the maximum length of a typical MPI package is 15k
 | 
| 95 | 
  | 
  | 
    const static int maxBufferSize = 8192;
 | 
| 96 | 
  | 
  | 
        
 | 
| 97 | 
  | 
  | 
    SimInfo* info_;
 | 
| 98 | 
  | 
  | 
 | 
| 99 | 
  | 
  | 
    std::string filename_;
 | 
| 100 | 
  | 
  | 
    bool isScanned_;
 | 
| 101 | 
  | 
  | 
 | 
| 102 | 
  | 
  | 
    int nframes_;
 | 
| 103 | 
  | 
  | 
 | 
| 104 | 
  | 
  | 
    std::istream* inFile_;
 | 
| 105 | 
  | 
  | 
    
 | 
| 106 | 
  | 
  | 
    std::vector<std::streampos> framePos_;
 | 
| 107 | 
  | 
  | 
 | 
| 108 | 
  | 
  | 
    bool needPos_;
 | 
| 109 | 
  | 
  | 
    bool needVel_;
 | 
| 110 | 
  | 
  | 
    bool needQuaternion_;
 | 
| 111 | 
  | 
  | 
    bool needAngMom_;
 | 
| 112 | 
  | 
  | 
  };
 | 
| 113 | 
  | 
  | 
 | 
| 114 | 
  | 
  | 
}      //end namespace oopse
 | 
| 115 | 
  | 
  | 
 | 
| 116 | 
  | 
  | 
#endif //IO_DUMPREADER_HPP
 |