OOPSE/libmdtools/ReadWrite.hpp

#ifndef __READWRITE_H__
#define __READWRITE_H__

#include <iostream>
#include <fstream>

#include <string.h>
#include <stdio.h>
#include <stdlib.h>
#include <unistd.h>
#include <sys/types.h>
#include <sys/stat.h>


#include "Atom.hpp"
#include "SimInfo.hpp"
#include "Thermo.hpp"

using namespace std;

class FilePos{

public:
  FilePos(){
    myPos = NULL;
    next = NULL;
  }
  FilePos( fpos_t* thePos ) {
    myPos = thePos;
    next = NULL;
  }
  ~FilePos(){
    if( next  != NULL ) delete next;
    if( myPos != NULL ) delete myPos;
  }

  void add( fpos_t *thePos ){
    if( next != NULL )
      next->add( thePos );
    else
      next = new FilePos( thePos );
  }

  FilePos &operator=(fpos_t *thePos){ myPos = thePos; return *this; }

  void setPos( fpos_t *thePos ){ myPos = thePos; }
  fpos_t *getPos( void ){ return myPos; }

  FilePos* getNext( void ) { return next; }
private:

  fpos_t *myPos;
  FilePos* next;

};

class DumpWriter{

public:
  DumpWriter( SimInfo* the_entry_plug );
  ~DumpWriter();

  void writeDump( double currentTime );
  void writeFinal( double finalTime );

private:
  SimInfo* entry_plug;
  ofstream outFile;
  char outName[500];
};

class StatWriter{

public:
  StatWriter( SimInfo* the_entry_plug );
  ~StatWriter();

  void writeStat( double currentTime );

private:

  SimInfo* entry_plug;
  ofstream outFile;
  char outName[500];
  Thermo* tStats;

};

class InitializeFromFile{

public:
  InitializeFromFile( char *in_name );
  ~InitializeFromFile();

  void readInit( SimInfo* the_entry_plug );

private:
  char* parseDumpLine(char* line, int atomIndex);
  char* parseCommentLine(char* line, SimInfo* entry_plug);
  FILE *c_in_file;
  char c_in_name[500];
  SimInfo* simnfo;
};

class DumpReader{

public:
  DumpReader( char *in_name );
  ~DumpReader();

  int getNframes();
  void scanFile( void );

  void getNextFrame() {}
  void readFrame(SimInfo* the_simnfo, int whichFrame);

private:

  void readSet( int whichFrame );
  char* parseDumpLine(char* line, int atomIndex);
  char* parseCommentLine(char* line, double &time, double boxMat[9] );
  FILE *inFile;
  char inName[500];
  bool isScanned;
  int nFrames;

  FilePos** frameStart;
  FilePos* headFP;

  SimInfo *simnfo;
};


#endif
Revision:	837
Committed:	Wed Oct 29 00:19:10 2003 UTC (20 years, 8 months ago) by tim
File size:	2241 byte(s)
Log Message:	add chi and eta to the comment line of dump file.
#	Content
1	#ifndef __READWRITE_H__
2	#define __READWRITE_H__
3
4	#include <iostream>
5	#include <fstream>
6
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:
60	DumpWriter( SimInfo* the_entry_plug );
61	~DumpWriter();
62
63	void writeDump( double currentTime );
64	void writeFinal( double finalTime );
65
66	private:
67	SimInfo* entry_plug;
68	ofstream outFile;
69	char outName[500];
70	};
71
72	class StatWriter{
73
74	public:
75	StatWriter( SimInfo* the_entry_plug );
76	~StatWriter();
77
78	void writeStat( double currentTime );
79
80	private:
81
82	SimInfo* entry_plug;
83	ofstream outFile;
84	char outName[500];
85	Thermo* tStats;
86
87	};
88
89	class InitializeFromFile{
90
91	public:
92	InitializeFromFile( char *in_name );
93	~InitializeFromFile();
94
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* 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