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root/group/trunk/OOPSE/libmdtools/ReadWrite.hpp
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Comparing trunk/OOPSE/libmdtools/ReadWrite.hpp (file contents):
Revision 829 by gezelter, Tue Oct 28 16:03:37 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
5   #include <iostream>
6   #include <fstream>
7  
# Line 17 | Line 16
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 <  
24 >
25   public:
26 <  FilePos(){
26 >  FilePos(){
27      myPos = NULL;
28      next = NULL;
29    }
30 <  FilePos( fpos_t* thePos ) {
31 <    myPos = thePos;
30 >  FilePos( fpos_t* thePos ) {
31 >    myPos = thePos;
32      next = NULL;
33    }
34 <  ~FilePos(){
34 >  ~FilePos(){
35      if( next  != NULL ) delete next;
36      if( myPos != NULL ) delete myPos;
37    }
38 <  
38 >
39    void add( fpos_t *thePos ){
40 <    if( next != NULL )
40 >    if( next != NULL )
41        next->add( thePos );
42      else
43        next = new FilePos( thePos );
44    }
45 <  
45 >
46    FilePos &operator=(fpos_t *thePos){ myPos = thePos; return *this; }
47 <  
47 >
48    void setPos( fpos_t *thePos ){ myPos = thePos; }
49    fpos_t *getPos( void ){ return myPos; }
50 <  
50 >
51    FilePos* getNext( void ) { return next; }
52   private:
53 <  
53 >
54    fpos_t *myPos;
55    FilePos* next;
56 <  
56 >
57   };
58  
59   class DumpWriter{
# Line 63 | 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 78 | 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 95 | 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 107 | 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 125 | Line 138 | class DumpReader{ (public)
138    char inName[500];
139    bool isScanned;
140    int nFrames;
141 <  
141 >
142    FilePos** frameStart;
143    FilePos* headFP;
144  

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