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 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;

  SimInfo *simnfo;
};


#endif
Revision:	657
Committed:	Wed Jul 30 21:17:01 2003 UTC (20 years, 11 months ago) by chuckv
File size:	1517 byte(s)
Log Message:	More bug fixes for eam.
#	Content
1	#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
12	#include "Atom.hpp"
13	#include "SimInfo.hpp"
14	#include "Thermo.hpp"
15
16	using namespace std;
17
18
19
20
21	class DumpWriter{
22
23	public:
24	DumpWriter( SimInfo* the_entry_plug );
25	~DumpWriter();
26
27	void writeDump( double currentTime );
28	void writeFinal( double finalTime );
29
30	private:
31	SimInfo* entry_plug;
32	ofstream outFile;
33	char outName[500];
34	};
35
36	class StatWriter{
37
38	public:
39	StatWriter( SimInfo* the_entry_plug );
40	~StatWriter();
41
42	void writeStat( double currentTime );
43
44	private:
45
46	SimInfo* entry_plug;
47	ofstream outFile;
48	char outName[500];
49	Thermo* tStats;
50
51	};
52
53	class InitializeFromFile{
54
55	public:
56	InitializeFromFile( char *in_name );
57	~InitializeFromFile();
58
59	void readInit( SimInfo* the_entry_plug );
60
61	private:
62	char* parseDumpLine(char* line, int atomIndex);
63	char* parseBoxLine(char* line, double boxMat[9], double &time );
64	FILE *c_in_file;
65	char c_in_name[500];
66	SimInfo* simnfo;
67	};
68
69	class DumpReader{
70
71	public:
72	DumpReader( char *in_name );
73	~DumpReader();
74
75	int getNframes();
76	void scanFile( void );
77
78	void getNextFrame() {}
79	void readFrame(SimInfo* the_simnfo, int whichFrame);
80
81	private:
82
83	void readSet( int whichFrame );
84	char* parseDumpLine(char* line, int atomIndex);
85	char* parseCommentLine(char* line, double &time, double boxMat[9] );
86	FILE *inFile;
87	char inName[500];
88	bool isScanned;
89	int nFrames;
90
91	SimInfo *simnfo;
92	};
93
94
95
96	#endif