OOPSE/libmdtools/ReadWrite.hpp

#ifndef __READWRITE_H__
#define __READWRITE_H__
#define _LARGEFILE_SOURCE64
#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"
#include "StuntDouble.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 currentTime);
  void writeFrame( vector<ofstream*>& outFile, double finalTime );

#ifdef IS_MPI
  void update();
#endif

private:

#ifdef IS_MPI
  void sortByGlobalIndex();
#endif

  SimInfo* entry_plug;
  ofstream dumpFile;

#ifdef IS_MPI 
  vector<pair<int, int> > indexArray;
#endif
};

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, StuntDouble* sd);
  char* parseCommentLine(char* line, SimInfo* entry_plug);
  FILE *c_in_file;
  char c_in_name[500];
  SimInfo* simnfo;
};

class DumpReader{

public:
  DumpReader(const 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:	1108
Committed:	Wed Apr 14 15:37:41 2004 UTC (20 years, 2 months ago) by tim
File size:	2530 byte(s)
Log Message:	Change DumpWriter and InitFromFile
#	Content
1	#ifndef __READWRITE_H__
2	#define __READWRITE_H__
3	#define _LARGEFILE_SOURCE64
4	#define _FILE_OFFSET_BITS 64
5	#include <iostream>
6	#include <fstream>
7
8	#include <string.h>
9	#include <stdio.h>
10	#include <stdlib.h>
11	#include <unistd.h>
12	#include <sys/types.h>
13	#include <sys/stat.h>
14
15
16	#include "Atom.hpp"
17	#include "SimInfo.hpp"
18	#include "Thermo.hpp"
19	#include "StuntDouble.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 currentTime);
67	void writeFrame( vector<ofstream*>& outFile, double finalTime );
68
69	#ifdef IS_MPI
70	void update();
71	#endif
72
73	private:
74
75	#ifdef IS_MPI
76	void sortByGlobalIndex();
77	#endif
78
79	SimInfo* entry_plug;
80	ofstream dumpFile;
81
82	#ifdef IS_MPI
83	vector<pair<int, int> > indexArray;
84	#endif
85	};
86
87	class StatWriter{
88
89	public:
90	StatWriter( SimInfo* the_entry_plug );
91	~StatWriter();
92
93	void writeStat( double currentTime );
94
95	private:
96
97	SimInfo* entry_plug;
98	ofstream outFile;
99	char outName[500];
100	Thermo* tStats;
101
102	};
103
104	class InitializeFromFile{
105
106	public:
107	InitializeFromFile( char *in_name );
108	~InitializeFromFile();
109
110	void readInit( SimInfo* the_entry_plug );
111
112	private:
113	char* parseDumpLine(char* line, StuntDouble* sd);
114	char* parseCommentLine(char* line, SimInfo* entry_plug);
115	FILE *c_in_file;
116	char c_in_name[500];
117	SimInfo* simnfo;
118	};
119
120	class DumpReader{
121
122	public:
123	DumpReader(const char *in_name );
124	~DumpReader();
125
126	int getNframes();
127	void scanFile( void );
128
129	void getNextFrame() {}
130	void readFrame(SimInfo* the_simnfo, int whichFrame);
131
132	private:
133
134	void readSet( int whichFrame );
135	char* parseDumpLine(char* line, int atomIndex);
136	char* parseCommentLine(char* line, double &time, double boxMat[9] );
137	FILE *inFile;
138	char inName[500];
139	bool isScanned;
140	int nFrames;
141
142	FilePos** frameStart;
143	FilePos* headFP;
144
145	SimInfo *simnfo;
146	};
147
148
149
150	#endif