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root/group/trunk/OOPSE/libmdtools/ReadWrite.hpp
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Comparing trunk/OOPSE/libmdtools/ReadWrite.hpp (file contents):
Revision 830 by gezelter, Tue Oct 28 16:20:28 2003 UTC vs.
Revision 929 by tim, Tue Jan 13 15:46:49 2004 UTC

# Line 19 | Line 19 | class FilePos{
19   using namespace std;
20  
21   class FilePos{
22 <  
22 >
23   public:
24 <  FilePos(){
24 >  FilePos(){
25      myPos = NULL;
26      next = NULL;
27    }
28 <  FilePos( fpos_t* thePos ) {
29 <    myPos = thePos;
28 >  FilePos( fpos_t* thePos ) {
29 >    myPos = thePos;
30      next = NULL;
31    }
32 <  ~FilePos(){
32 >  ~FilePos(){
33      if( next  != NULL ) delete next;
34      if( myPos != NULL ) delete myPos;
35    }
36 <  
36 >
37    void add( fpos_t *thePos ){
38 <    if( next != NULL )
38 >    if( next != NULL )
39        next->add( thePos );
40      else
41        next = new FilePos( thePos );
42    }
43 <  
43 >
44    FilePos &operator=(fpos_t *thePos){ myPos = thePos; return *this; }
45 <  
45 >
46    void setPos( fpos_t *thePos ){ myPos = thePos; }
47    fpos_t *getPos( void ){ return myPos; }
48 <  
48 >
49    FilePos* getNext( void ) { return next; }
50   private:
51 <  
51 >
52    fpos_t *myPos;
53    FilePos* next;
54 <  
54 >
55   };
56  
57   class DumpWriter{
# Line 61 | 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 76 | 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 93 | 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], double &time );
109 >  char* parseCommentLine(char* line, SimInfo* entry_plug);
110    FILE *c_in_file;
111    char c_in_name[500];
112    SimInfo* simnfo;
# Line 123 | Line 133 | class DumpReader{ (private)
133    char inName[500];
134    bool isScanned;
135    int nFrames;
136 <  
136 >
137    FilePos** frameStart;
138    FilePos* headFP;
139  

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