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root/group/trunk/OOPSE/libmdtools/ReadWrite.hpp
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Comparing trunk/OOPSE/libmdtools/ReadWrite.hpp (file contents):
Revision 804 by mmeineke, Thu Oct 16 19:16:24 2003 UTC vs.
Revision 1078 by tim, Tue Mar 2 20:32:40 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
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>
# Line 21 | Line 20 | class FilePos{
20   using namespace std;
21  
22   class FilePos{
23 <  
23 >
24   public:
25 <  FilePos(){
25 >  FilePos(){
26      myPos = NULL;
27      next = NULL;
28    }
29 <  FilePos( fpos_t* thePos ) {
30 <    myPos = thePos;
29 >  FilePos( fpos_t* thePos ) {
30 >    myPos = thePos;
31      next = NULL;
32    }
33 <  ~FilePos(){
33 >  ~FilePos(){
34      if( next  != NULL ) delete next;
35      if( myPos != NULL ) delete myPos;
36    }
37 <  
37 >
38    void add( fpos_t *thePos ){
39 <    if( next != NULL )
39 >    if( next != NULL )
40        next->add( thePos );
41      else
42        next = new FilePos( thePos );
43    }
44 <  
44 >
45    FilePos &operator=(fpos_t *thePos){ myPos = thePos; return *this; }
46 <  
46 >
47    void setPos( fpos_t *thePos ){ myPos = thePos; }
48    fpos_t *getPos( void ){ return myPos; }
49 <  
49 >
50    FilePos* getNext( void ) { return next; }
51   private:
52 <  
52 >
53    fpos_t *myPos;
54    FilePos* next;
55 <  
55 >
56   };
57  
58   class DumpWriter{
# Line 63 | Line 62 | class DumpWriter{ (public)
62    ~DumpWriter();
63  
64    void writeDump( double currentTime );
65 <  void writeFinal( double finalTime );
65 >  void writeFinal( double currentTime);
66 >  void writeFrame( vector<ofstream*>& outFile, double finalTime );
67  
68 + #ifdef IS_MPI
69 +  void update();
70 + #endif
71 +
72   private:
73 +
74 + #ifdef IS_MPI
75 +  void sortByGlobalIndex();
76 + #endif
77 +
78    SimInfo* entry_plug;
79 <  ofstream outFile;
80 <  char outName[500];
79 >  ofstream dumpFile;
80 >
81 > #ifdef IS_MPI
82 >  vector<pair<int, int> > indexArray;
83 > #endif
84   };
85  
86   class StatWriter{
# Line 78 | Line 90 | class StatWriter{ (public)
90    ~StatWriter();
91  
92    void writeStat( double currentTime );
93 <  
93 >
94   private:
95 <  
95 >
96    SimInfo* entry_plug;
97    ofstream outFile;
98    char outName[500];
# Line 95 | Line 107 | class InitializeFromFile{ (public)
107    ~InitializeFromFile();
108  
109    void readInit( SimInfo* the_entry_plug );
110 <  
110 >
111   private:
112    char* parseDumpLine(char* line, int atomIndex);
113 <  char* parseBoxLine(char* line, double boxMat[9], double &time );
113 >  char* parseCommentLine(char* line, SimInfo* entry_plug);
114    FILE *c_in_file;
115    char c_in_name[500];
116    SimInfo* simnfo;
# Line 107 | Line 119 | class DumpReader{ (public)
119   class DumpReader{
120  
121   public:
122 <  DumpReader( char *in_name );
122 >  DumpReader(const char *in_name );
123    ~DumpReader();
124  
125    int getNframes();
# Line 125 | Line 137 | class DumpReader{ (public)
137    char inName[500];
138    bool isScanned;
139    int nFrames;
140 <  
140 >
141    FilePos** frameStart;
142    FilePos* headFP;
143  

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