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

class DumpReader{
  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;
};

public:

#endif
Revision:	637
Committed:	Thu Jul 17 21:50:01 2003 UTC (20 years, 11 months ago) by gezelter
File size:	1424 byte(s)
Log Message:	Started work on a DumpReader
#	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			void read_xyz( SimInfo* the_entry_plug );
56
57			private:
58			char* parseDumpLine(char* line, int atomIndex);
59	mmeineke	586	char* parseBoxLine(char* line, double boxMat[9] );
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			DumpReader( char *in_name );
67			~DumpReader();
68	mmeineke	377
69	gezelter	637	int getNframes();
70			void getNextFrame();
71			void getFrame(SimInfo* the_entry_plug, int whichFrame)
72			void rewind();
73	mmeineke	377
74	gezelter	637	private:
75			char* parseDumpLine(char* line, int atomIndex);
76			char* parseCommentLine(char* line, double time, double boxMat[9] );
77			FILE *c_in_file;
78			char c_in_name[500];
79			SimInfo* simnfo;
80			};
81
82			public:
83
84	mmeineke	377	#endif