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root/group/trunk/OOPSE/libmdtools/ReadWrite.hpp
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Comparing trunk/OOPSE/libmdtools/ReadWrite.hpp (file contents):
Revision 641 by mmeineke, Mon Jul 21 16:23:10 2003 UTC vs.
Revision 929 by tim, Tue Jan 13 15:46:49 2004 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"
16   #include "SimInfo.hpp"
17   #include "Thermo.hpp"
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 +
57   class DumpWriter{
58  
59   public:
# Line 21 | Line 61 | class DumpWriter{ (public)
61    ~DumpWriter();
62  
63    void writeDump( double currentTime );
64 <  void writeFinal( double finalTime );
64 >  void writeFinal( double currentTime);
65 >  void writeFrame( ofstream& outFile, double finalTime );
66  
67 + #ifdef IS_MPI
68 +  void update();
69 + #endif
70 +
71   private:
72 +
73 + #ifdef IS_MPI
74 +  void sortByGlobalIndex();
75 + #endif
76 +
77    SimInfo* entry_plug;
78 <  ofstream outFile;
79 <  char outName[500];
78 >  ofstream dumpFile;
79 >  vector<pair<int, int> > indexArray;
80   };
81  
82   class StatWriter{
# Line 36 | Line 86 | class StatWriter{ (public)
86    ~StatWriter();
87  
88    void writeStat( double currentTime );
89 <  
89 >
90   private:
91 <  
91 >
92    SimInfo* entry_plug;
93    ofstream outFile;
94    char outName[500];
# Line 53 | Line 103 | class InitializeFromFile{ (public)
103    ~InitializeFromFile();
104  
105    void readInit( SimInfo* the_entry_plug );
106 <  
106 >
107   private:
108    char* parseDumpLine(char* line, int atomIndex);
109 <  char* parseBoxLine(char* line, double boxMat[9] );
109 >  char* parseCommentLine(char* line, SimInfo* entry_plug);
110    FILE *c_in_file;
111    char c_in_name[500];
112    SimInfo* simnfo;
113   };
114  
115   class DumpReader{
116 +
117 + public:
118    DumpReader( char *in_name );
119    ~DumpReader();
120  
121    int getNframes();
122 <  void getNextFrame();
71 <  void getFrame(SimInfo* the_entry_plug, int whichFrame)
72 <  void rewind();
122 >  void scanFile( void );
123  
124 +  void getNextFrame() {}
125 +  void readFrame(SimInfo* the_simnfo, int whichFrame);
126 +
127   private:
128 +
129 +  void readSet( int whichFrame );
130    char* parseDumpLine(char* line, int atomIndex);
131 <  char* parseCommentLine(char* line, double time, double boxMat[9] );
132 <  FILE *c_in_file;
133 <  char c_in_name[500];
134 <  SimInfo* simnfo;
131 >  char* parseCommentLine(char* line, double &time, double boxMat[9] );
132 >  FILE *inFile;
133 >  char inName[500];
134 >  bool isScanned;
135 >  int nFrames;
136 >
137 >  FilePos** frameStart;
138 >  FilePos* headFP;
139 >
140 >  SimInfo *simnfo;
141   };
142  
82 – public:
143  
144 +
145   #endif

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