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root/group/trunk/OOPSE/libmdtools/ReadWrite.hpp
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Comparing trunk/OOPSE/libmdtools/ReadWrite.hpp (file contents):
Revision 656 by mmeineke, Tue Jul 29 16:32:37 2003 UTC vs.
Revision 1108 by tim, Wed Apr 14 15:37:41 2004 UTC

# Line 1 | Line 1
1   #ifndef __READWRITE_H__
2   #define __READWRITE_H__
3 <
3 > #define _LARGEFILE_SOURCE64
4 > #define _FILE_OFFSET_BITS 64
5   #include <iostream>
6   #include <fstream>
7  
8 < #include <cstring>
9 < #include <cstdio>
10 < #include <cstdlib>
8 > #include <string.h>
9 > #include <stdio.h>
10 > #include <stdlib.h>
11 > #include <unistd.h>
12 > #include <sys/types.h>
13 > #include <sys/stat.h>
14  
15  
16   #include "Atom.hpp"
17   #include "SimInfo.hpp"
18   #include "Thermo.hpp"
19 + #include "StuntDouble.hpp"
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 +
59   class DumpWriter{
60  
61   public:
# Line 25 | Line 63 | class DumpWriter{ (public)
63    ~DumpWriter();
64  
65    void writeDump( double currentTime );
66 <  void writeFinal( double finalTime );
66 >  void writeFinal( double currentTime);
67 >  void writeFrame( vector<ofstream*>& outFile, double finalTime );
68  
69 + #ifdef IS_MPI
70 +  void update();
71 + #endif
72 +
73   private:
74 +
75 + #ifdef IS_MPI
76 +  void sortByGlobalIndex();
77 + #endif
78 +
79    SimInfo* entry_plug;
80 <  ofstream outFile;
81 <  char outName[500];
80 >  ofstream dumpFile;
81 >
82 > #ifdef IS_MPI
83 >  vector<pair<int, int> > indexArray;
84 > #endif
85   };
86  
87   class StatWriter{
# Line 40 | Line 91 | class StatWriter{ (public)
91    ~StatWriter();
92  
93    void writeStat( double currentTime );
94 <  
94 >
95   private:
96 <  
96 >
97    SimInfo* entry_plug;
98    ofstream outFile;
99    char outName[500];
# Line 57 | Line 108 | class InitializeFromFile{ (public)
108    ~InitializeFromFile();
109  
110    void readInit( SimInfo* the_entry_plug );
111 <  
111 >
112   private:
113 <  char* parseDumpLine(char* line, int atomIndex);
114 <  char* parseBoxLine(char* line, double boxMat[9], double &time );
113 >  char* parseDumpLine(char* line, StuntDouble* sd);
114 >  char* parseCommentLine(char* line, SimInfo* entry_plug);
115    FILE *c_in_file;
116    char c_in_name[500];
117    SimInfo* simnfo;
# Line 69 | Line 120 | class DumpReader{ (public)
120   class DumpReader{
121  
122   public:
123 <  DumpReader( char *in_name );
123 >  DumpReader(const char *in_name );
124    ~DumpReader();
125  
126    int getNframes();
# Line 80 | Line 131 | class DumpReader{ (public)
131  
132   private:
133  
134 <  void readSet( int which Frame );
134 >  void readSet( int whichFrame );
135    char* parseDumpLine(char* line, int atomIndex);
136    char* parseCommentLine(char* line, double &time, double boxMat[9] );
137    FILE *inFile;
# Line 88 | Line 139 | class DumpReader{ (public)
139    bool isScanned;
140    int nFrames;
141  
142 +  FilePos** frameStart;
143 +  FilePos* headFP;
144 +
145    SimInfo *simnfo;
146   };
147  

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