OOPSE/libmdtools/ReadWrite.hpp

#ifndef __READWRITE_H__
#define __READWRITE_H__

#define _FILE_OFFSET_BITS 64

#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* parseBoxLine(char* line, double boxMat[9], double &time );
  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:	829
Committed:	Tue Oct 28 16:03:37 2003 UTC (22 years ago) by gezelter
File size:	2306 byte(s)
Log Message:	replace c++ header stuff with more portable c header stuff Also, mod file fixes and portability changes Some fortran changes will need to be reversed.
#	Content
1	#ifndef __READWRITE_H__
2	#define __READWRITE_H__
3
4	#define _FILE_OFFSET_BITS 64
5
6	#include <iostream>
7	#include <fstream>
8
9	#include <string.h>
10	#include <stdio.h>
11	#include <stdlib.h>
12	#include <unistd.h>
13	#include <sys/types.h>
14	#include <sys/stat.h>
15
16
17	#include "Atom.hpp"
18	#include "SimInfo.hpp"
19	#include "Thermo.hpp"
20
21	using namespace std;
22
23	class FilePos{
24
25	public:
26	FilePos(){
27	myPos = NULL;
28	next = NULL;
29	}
30	FilePos( fpos_t* thePos ) {
31	myPos = thePos;
32	next = NULL;
33	}
34	~FilePos(){
35	if( next != NULL ) delete next;
36	if( myPos != NULL ) delete myPos;
37	}
38
39	void add( fpos_t *thePos ){
40	if( next != NULL )
41	next->add( thePos );
42	else
43	next = new FilePos( thePos );
44	}
45
46	FilePos &operator=(fpos_t thePos){ myPos = thePos; return this; }
47
48	void setPos( fpos_t *thePos ){ myPos = thePos; }
49	fpos_t *getPos( void ){ return myPos; }
50
51	FilePos* getNext( void ) { return next; }
52	private:
53
54	fpos_t *myPos;
55	FilePos* next;
56
57	};
58
59	class DumpWriter{
60
61	public:
62	DumpWriter( SimInfo* the_entry_plug );
63	~DumpWriter();
64
65	void writeDump( double currentTime );
66	void writeFinal( double finalTime );
67
68	private:
69	SimInfo* entry_plug;
70	ofstream outFile;
71	char outName[500];
72	};
73
74	class StatWriter{
75
76	public:
77	StatWriter( SimInfo* the_entry_plug );
78	~StatWriter();
79
80	void writeStat( double currentTime );
81
82	private:
83
84	SimInfo* entry_plug;
85	ofstream outFile;
86	char outName[500];
87	Thermo* tStats;
88
89	};
90
91	class InitializeFromFile{
92
93	public:
94	InitializeFromFile( char *in_name );
95	~InitializeFromFile();
96
97	void readInit( SimInfo* the_entry_plug );
98
99	private:
100	char* parseDumpLine(char* line, int atomIndex);
101	char* parseBoxLine(char* line, double boxMat[9], double &time );
102	FILE *c_in_file;
103	char c_in_name[500];
104	SimInfo* simnfo;
105	};
106
107	class DumpReader{
108
109	public:
110	DumpReader( char *in_name );
111	~DumpReader();
112
113	int getNframes();
114	void scanFile( void );
115
116	void getNextFrame() {}
117	void readFrame(SimInfo* the_simnfo, int whichFrame);
118
119	private:
120
121	void readSet( int whichFrame );
122	char* parseDumpLine(char* line, int atomIndex);
123	char* parseCommentLine(char* line, double &time, double boxMat[9] );
124	FILE *inFile;
125	char inName[500];
126	bool isScanned;
127	int nFrames;
128
129	FilePos** frameStart;
130	FilePos* headFP;
131
132	SimInfo *simnfo;
133	};
134
135
136
137	#endif