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" |
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 |
|
|
19 |
– |
|
20 |
– |
|
57 |
|
class DumpWriter{ |
58 |
|
|
59 |
|
public: |
116 |
|
|
117 |
|
private: |
118 |
|
|
119 |
< |
void readSet( int which Frame ); |
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 |
|
}; |