OOPSE/libmdtools/ReadWrite.hpp

#ifndef __READWRITE_H__
#define __READWRITE_H__

#include <iostream>
#include <fstream>

#include <cstring>
#include <cstdio>
#include <cstdlib>

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

using namespace std;

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 getNextFrame();
  void getFrame(SimInfo* the_entry_plug, int whichFrame);
  void rewind();

private:
  char* parseDumpLine(char* line, int atomIndex);
  char* parseCommentLine(char* line, double &time, double boxMat[9] );
  FILE *c_in_file;
  char c_in_name[500];
  SimInfo* simnfo;
};


#endif
Revision:	644
Committed:	Tue Jul 22 16:41:08 2003 UTC (22 years, 3 months ago) by mmeineke
Original Path:	*trunk/OOPSE/libmdtools/ReadWrite.hpp*
File size:	1442 byte(s)
Log Message:	Fixed a current time initialization bug in InitFromFile.
#	User	Rev	Content
1	mmeineke	377	#ifndef __READWRITE_H__
2			#define __READWRITE_H__
3
4			#include <iostream>
5			#include <fstream>
6
7			#include <cstring>
8			#include <cstdio>
9			#include <cstdlib>
10
11			#include "Atom.hpp"
12			#include "SimInfo.hpp"
13			#include "Thermo.hpp"
14
15			using namespace std;
16
17			class DumpWriter{
18
19			public:
20			DumpWriter( SimInfo* the_entry_plug );
21			~DumpWriter();
22
23			void writeDump( double currentTime );
24	mmeineke	572	void writeFinal( double finalTime );
25	mmeineke	377
26			private:
27			SimInfo* entry_plug;
28			ofstream outFile;
29			char outName[500];
30			};
31
32			class StatWriter{
33
34			public:
35			StatWriter( SimInfo* the_entry_plug );
36			~StatWriter();
37
38			void writeStat( double currentTime );
39
40			private:
41
42			SimInfo* entry_plug;
43			ofstream outFile;
44			char outName[500];
45			Thermo* tStats;
46
47			};
48
49			class InitializeFromFile{
50
51			public:
52			InitializeFromFile( char *in_name );
53			~InitializeFromFile();
54
55	mmeineke	641	void readInit( SimInfo* the_entry_plug );
56	mmeineke	377
57			private:
58			char* parseDumpLine(char* line, int atomIndex);
59	mmeineke	644	char* parseBoxLine(char* line, double boxMat[9], double &time );
60	mmeineke	377	FILE *c_in_file;
61			char c_in_name[500];
62	mmeineke	586	SimInfo* simnfo;
63	mmeineke	377	};
64
65	gezelter	637	class DumpReader{
66	mmeineke	644
67			public:
68	gezelter	637	DumpReader( char *in_name );
69			~DumpReader();
70	mmeineke	377
71	gezelter	637	int getNframes();
72			void getNextFrame();
73	mmeineke	644	void getFrame(SimInfo* the_entry_plug, int whichFrame);
74	gezelter	637	void rewind();
75	mmeineke	377
76	gezelter	637	private:
77			char* parseDumpLine(char* line, int atomIndex);
78	mmeineke	644	char* parseCommentLine(char* line, double &time, double boxMat[9] );
79	gezelter	637	FILE *c_in_file;
80			char c_in_name[500];
81			SimInfo* simnfo;
82			};
83
84
85	mmeineke	644
86	mmeineke	377	#endif