ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE/libmdtools/ReadWrite.hpp
(Generate patch)

Comparing trunk/OOPSE/libmdtools/ReadWrite.hpp (file contents):
Revision 656 by mmeineke, Tue Jul 29 16:32:37 2003 UTC vs.
Revision 934 by tim, Tue Jan 13 20:04:28 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"
# Line 15 | Line 18 | using namespace std;
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 25 | 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( vector<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 >  ofstream finalOut;
80 >
81 > #ifdef IS_MPI
82 >  vector<pair<int, int> > indexArray;
83 > #endif
84   };
85  
86   class StatWriter{
# Line 40 | 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 57 | 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 80 | Line 130 | class DumpReader{ (private)
130  
131   private:
132  
133 <  void readSet( int which Frame );
133 >  void readSet( int whichFrame );
134    char* parseDumpLine(char* line, int atomIndex);
135    char* parseCommentLine(char* line, double &time, double boxMat[9] );
136    FILE *inFile;
# Line 88 | Line 138 | class DumpReader{ (private)
138    bool isScanned;
139    int nFrames;
140  
141 +  FilePos** frameStart;
142 +  FilePos* headFP;
143 +
144    SimInfo *simnfo;
145   };
146  

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines