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

Comparing:
branches/mmeineke/OOPSE/libmdtools/ReadWrite.hpp (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libmdtools/ReadWrite.hpp (file contents), Revision 837 by tim, Wed Oct 29 00:19:10 2003 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"
16   #include "SimInfo.hpp"
17   #include "Thermo.hpp"
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 21 | Line 61 | class DumpWriter{ (public)
61    ~DumpWriter();
62  
63    void writeDump( double currentTime );
64 <  void writeFinal( void );
64 >  void writeFinal( double finalTime );
65  
66   private:
67    SimInfo* entry_plug;
# Line 36 | Line 76 | class StatWriter{ (public)
76    ~StatWriter();
77  
78    void writeStat( double currentTime );
79 <  
79 >
80   private:
81 <  
81 >
82    SimInfo* entry_plug;
83    ofstream outFile;
84    char outName[500];
# Line 52 | Line 92 | class InitializeFromFile{ (public)
92    InitializeFromFile( char *in_name );
93    ~InitializeFromFile();
94  
95 <  void read_xyz( SimInfo* the_entry_plug );
96 <  
95 >  void readInit( SimInfo* the_entry_plug );
96 >
97   private:
98    char* parseDumpLine(char* line, int atomIndex);
99 +  char* parseCommentLine(char* line, SimInfo* entry_plug);
100    FILE *c_in_file;
101    char c_in_name[500];
102 <  SimInfo* entry_plug;
102 >  SimInfo* simnfo;
103   };
104  
105 + class DumpReader{
106  
107 + public:
108 +  DumpReader( char *in_name );
109 +  ~DumpReader();
110  
111 +  int getNframes();
112 +  void scanFile( void );
113 +
114 +  void getNextFrame() {}
115 +  void readFrame(SimInfo* the_simnfo, int whichFrame);
116 +
117 + private:
118 +
119 +  void readSet( int whichFrame );
120 +  char* parseDumpLine(char* line, int atomIndex);
121 +  char* parseCommentLine(char* line, double &time, double boxMat[9] );
122 +  FILE *inFile;
123 +  char inName[500];
124 +  bool isScanned;
125 +  int nFrames;
126 +
127 +  FilePos** frameStart;
128 +  FilePos* headFP;
129 +
130 +  SimInfo *simnfo;
131 + };
132 +
133 +
134 +
135   #endif

Diff Legend

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