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root/group/trunk/OOPSE/libmdtools/ReadWrite.hpp
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Comparing trunk/OOPSE/libmdtools/ReadWrite.hpp (file contents):
Revision 1108 by tim, Wed Apr 14 15:37:41 2004 UTC vs.
Revision 1180 by chrisfen, Thu May 20 20:24:07 2004 UTC

# Line 4 | Line 4
4   #define _FILE_OFFSET_BITS 64
5   #include <iostream>
6   #include <fstream>
7 <
7 > #include <string>
8   #include <string.h>
9   #include <stdio.h>
10   #include <stdlib.h>
# Line 20 | Line 20 | using namespace std;
20  
21   using namespace std;
22  
23 – class FilePos{
24 –
25 – public:
26 –  FilePos(){
27 –    myPos = NULL;
28 –    next = NULL;
29 –  }
30 –  FilePos( fpos_t* thePos ) {
31 –    myPos = thePos;
32 –    next = NULL;
33 –  }
34 –  ~FilePos(){
35 –    if( next  != NULL ) delete next;
36 –    if( myPos != NULL ) delete myPos;
37 –  }
38 –
39 –  void add( fpos_t *thePos ){
40 –    if( next != NULL )
41 –      next->add( thePos );
42 –    else
43 –      next = new FilePos( thePos );
44 –  }
45 –
46 –  FilePos &operator=(fpos_t *thePos){ myPos = thePos; return *this; }
47 –
48 –  void setPos( fpos_t *thePos ){ myPos = thePos; }
49 –  fpos_t *getPos( void ){ return myPos; }
50 –
51 –  FilePos* getNext( void ) { return next; }
52 – private:
53 –
54 –  fpos_t *myPos;
55 –  FilePos* next;
56 –
57 – };
58 –
23   class DumpWriter{
24  
25   public:
# Line 91 | Line 55 | class StatWriter{ (public)
55    ~StatWriter();
56  
57    void writeStat( double currentTime );
58 +  void writeRaw( double currentTime );
59  
60   private:
61  
62    SimInfo* entry_plug;
63    ofstream outFile;
64 +  ofstream rawFile;
65    char outName[500];
66 +  char rawName[500];
67    Thermo* tStats;
68  
69   };
# Line 129 | Line 96 | class DumpReader{ (public)
96    void getNextFrame() {}
97    void readFrame(SimInfo* the_simnfo, int whichFrame);
98  
99 + #ifdef IS_MPI
100 +  void anonymousNodeDie( void );
101 +  void nodeZeroError( void );
102 + #endif
103   private:
104  
105    void readSet( int whichFrame );
106 <  char* parseDumpLine(char* line, int atomIndex);
107 <  char* parseCommentLine(char* line, double &time, double boxMat[9] );
106 >  char* parseDumpLine(char* readLine, StuntDouble* sd);
107 >  char* parseCommentLine(char* readLine, SimInfo* entry_plug);
108    FILE *inFile;
109 <  char inName[500];
109 >  string inFileName;
110    bool isScanned;
140 –  int nFrames;
111  
112 <  FilePos** frameStart;
143 <  FilePos* headFP;
144 <
112 >  vector<fpos_t*> framePos;
113    SimInfo *simnfo;
114   };
115  

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