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"

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, int atomIndex);
  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:	1078
Committed:	Tue Mar 2 20:32:40 2004 UTC (20 years, 4 months ago) by tim
File size:	2501 byte(s)
Log Message:	add LARGEFILE_SOURCE64 macro to support large file
#	User	Rev	Content
1	mmeineke	377	#ifndef __READWRITE_H__
2			#define __READWRITE_H__
3	tim	1078	#define _LARGEFILE_SOURCE64
4			#define _FILE_OFFSET_BITS 64
5	mmeineke	377	#include <iostream>
6			#include <fstream>
7
8	gezelter	829	#include <string.h>
9			#include <stdio.h>
10			#include <stdlib.h>
11	mmeineke	804	#include <unistd.h>
12			#include <sys/types.h>
13			#include <sys/stat.h>
14	mmeineke	377
15	mmeineke	646
16	mmeineke	377	#include "Atom.hpp"
17			#include "SimInfo.hpp"
18			#include "Thermo.hpp"
19
20			using namespace std;
21
22	mmeineke	804	class FilePos{
23	tim	837
24	mmeineke	804	public:
25	tim	837	FilePos(){
26	mmeineke	804	myPos = NULL;
27			next = NULL;
28			}
29	tim	837	FilePos( fpos_t* thePos ) {
30			myPos = thePos;
31	mmeineke	804	next = NULL;
32			}
33	tim	837	~FilePos(){
34	mmeineke	804	if( next != NULL ) delete next;
35			if( myPos != NULL ) delete myPos;
36			}
37	tim	837
38	mmeineke	804	void add( fpos_t *thePos ){
39	tim	837	if( next != NULL )
40	mmeineke	804	next->add( thePos );
41			else
42			next = new FilePos( thePos );
43			}
44	tim	837
45	mmeineke	804	FilePos &operator=(fpos_t thePos){ myPos = thePos; return this; }
46	tim	837
47	mmeineke	804	void setPos( fpos_t *thePos ){ myPos = thePos; }
48			fpos_t *getPos( void ){ return myPos; }
49	tim	837
50	mmeineke	804	FilePos* getNext( void ) { return next; }
51			private:
52	tim	837
53	mmeineke	804	fpos_t *myPos;
54			FilePos* next;
55	tim	837
56	mmeineke	804	};
57	mmeineke	646
58	mmeineke	377	class DumpWriter{
59
60			public:
61			DumpWriter( SimInfo* the_entry_plug );
62			~DumpWriter();
63
64			void writeDump( double currentTime );
65	tim	929	void writeFinal( double currentTime);
66	tim	934	void writeFrame( vector<ofstream*>& outFile, double finalTime );
67	mmeineke	377
68	tim	929	#ifdef IS_MPI
69			void update();
70			#endif
71
72	mmeineke	377	private:
73	tim	929
74			#ifdef IS_MPI
75			void sortByGlobalIndex();
76			#endif
77
78	mmeineke	377	SimInfo* entry_plug;
79	tim	929	ofstream dumpFile;
80	tim	934
81			#ifdef IS_MPI
82	tim	929	vector<pair<int, int> > indexArray;
83	tim	934	#endif
84	mmeineke	377	};
85
86			class StatWriter{
87
88			public:
89			StatWriter( SimInfo* the_entry_plug );
90			~StatWriter();
91
92			void writeStat( double currentTime );
93	tim	837
94	mmeineke	377	private:
95	tim	837
96	mmeineke	377	SimInfo* entry_plug;
97			ofstream outFile;
98			char outName[500];
99			Thermo* tStats;
100
101			};
102
103			class InitializeFromFile{
104
105			public:
106			InitializeFromFile( char *in_name );
107			~InitializeFromFile();
108
109	mmeineke	641	void readInit( SimInfo* the_entry_plug );
110	tim	837
111	mmeineke	377	private:
112			char* parseDumpLine(char* line, int atomIndex);
113	tim	837	char* parseCommentLine(char* line, SimInfo* entry_plug);
114	mmeineke	377	FILE *c_in_file;
115			char c_in_name[500];
116	mmeineke	586	SimInfo* simnfo;
117	mmeineke	377	};
118
119	gezelter	637	class DumpReader{
120	mmeineke	644
121			public:
122	tim	1074	DumpReader(const char *in_name );
123	gezelter	637	~DumpReader();
124	mmeineke	377
125	gezelter	637	int getNframes();
126	mmeineke	646	void scanFile( void );
127	mmeineke	377
128	mmeineke	656	void getNextFrame() {}
129			void readFrame(SimInfo* the_simnfo, int whichFrame);
130
131	gezelter	637	private:
132	mmeineke	647
133	chuckv	657	void readSet( int whichFrame );
134	gezelter	637	char* parseDumpLine(char* line, int atomIndex);
135	mmeineke	644	char* parseCommentLine(char* line, double &time, double boxMat[9] );
136	mmeineke	647	FILE *inFile;
137			char inName[500];
138			bool isScanned;
139			int nFrames;
140	tim	837
141	mmeineke	804	FilePos** frameStart;
142			FilePos* headFP;
143	mmeineke	647
144			SimInfo *simnfo;
145	gezelter	637	};
146
147
148	mmeineke	644
149	mmeineke	377	#endif