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root/group/trunk/OOPSE/libmdtools/ReadWrite.hpp
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Comparing trunk/OOPSE/libmdtools/ReadWrite.hpp (file contents):
Revision 647 by mmeineke, Tue Jul 22 21:49:38 2003 UTC vs.
Revision 830 by gezelter, Tue Oct 28 16:20:28 2003 UTC

# Line 4 | Line 4
4   #include <iostream>
5   #include <fstream>
6  
7 < #include <cstring>
8 < #include <cstdio>
9 < #include <cstdlib>
7 > #include <string.h>
8 > #include <stdio.h>
9 > #include <stdlib.h>
10 > #include <unistd.h>
11 > #include <sys/types.h>
12 > #include <sys/stat.h>
13  
14  
15   #include "Atom.hpp"
# Line 15 | Line 18 | using namespace std;
18  
19   using namespace std;
20  
21 + class FilePos{
22 +  
23 + public:
24 +  FilePos(){
25 +    myPos = NULL;
26 +    next = NULL;
27 +  }
28 +  FilePos( fpos_t* thePos ) {
29 +    myPos = thePos;
30 +    next = NULL;
31 +  }
32 +  ~FilePos(){
33 +    if( next  != NULL ) delete next;
34 +    if( myPos != NULL ) delete myPos;
35 +  }
36 +  
37 +  void add( fpos_t *thePos ){
38 +    if( next != NULL )
39 +      next->add( thePos );
40 +    else
41 +      next = new FilePos( thePos );
42 +  }
43 +  
44 +  FilePos &operator=(fpos_t *thePos){ myPos = thePos; return *this; }
45 +  
46 +  void setPos( fpos_t *thePos ){ myPos = thePos; }
47 +  fpos_t *getPos( void ){ return myPos; }
48 +  
49 +  FilePos* getNext( void ) { return next; }
50 + private:
51 +  
52 +  fpos_t *myPos;
53 +  FilePos* next;
54 +  
55 + };
56  
19 –
20 –
57   class DumpWriter{
58  
59   public:
# Line 73 | Line 109 | class DumpReader{ (public)
109    ~DumpReader();
110  
111    int getNframes();
76 –  void getNextFrame();
77 –
112    void scanFile( void );
113  
114 +  void getNextFrame() {}
115 +  void readFrame(SimInfo* the_simnfo, int whichFrame);
116 +
117   private:
118  
119 <  void getFrame(SimInfo* the_simnfo, int whichFrame);
119 >  void readSet( int whichFrame );
120    char* parseDumpLine(char* line, int atomIndex);
121    char* parseCommentLine(char* line, double &time, double boxMat[9] );
122    FILE *inFile;
123    char inName[500];
124    bool isScanned;
125    int nFrames;
126 +  
127 +  FilePos** frameStart;
128 +  FilePos* headFP;
129  
130    SimInfo *simnfo;
131   };

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