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 (22 years, 3 months ago) by chuckv
Original Path:	*trunk/OOPSE/libmdtools/ReadWrite.hpp*
File size:	1517 byte(s)
Log Message:	More bug fixes for eam.
#	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	mmeineke	646
12	mmeineke	377	#include "Atom.hpp"
13			#include "SimInfo.hpp"
14			#include "Thermo.hpp"
15
16			using namespace std;
17
18	mmeineke	646
19
20
21	mmeineke	377	class DumpWriter{
22
23			public:
24			DumpWriter( SimInfo* the_entry_plug );
25			~DumpWriter();
26
27			void writeDump( double currentTime );
28	mmeineke	572	void writeFinal( double finalTime );
29	mmeineke	377
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	mmeineke	641	void readInit( SimInfo* the_entry_plug );
60	mmeineke	377
61			private:
62			char* parseDumpLine(char* line, int atomIndex);
63	mmeineke	644	char* parseBoxLine(char* line, double boxMat[9], double &time );
64	mmeineke	377	FILE *c_in_file;
65			char c_in_name[500];
66	mmeineke	586	SimInfo* simnfo;
67	mmeineke	377	};
68
69	gezelter	637	class DumpReader{
70	mmeineke	644
71			public:
72	gezelter	637	DumpReader( char *in_name );
73			~DumpReader();
74	mmeineke	377
75	gezelter	637	int getNframes();
76	mmeineke	646	void scanFile( void );
77	mmeineke	377
78	mmeineke	656	void getNextFrame() {}
79			void readFrame(SimInfo* the_simnfo, int whichFrame);
80
81	gezelter	637	private:
82	mmeineke	647
83	chuckv	657	void readSet( int whichFrame );
84	gezelter	637	char* parseDumpLine(char* line, int atomIndex);
85	mmeineke	644	char* parseCommentLine(char* line, double &time, double boxMat[9] );
86	mmeineke	647	FILE *inFile;
87			char inName[500];
88			bool isScanned;
89			int nFrames;
90
91			SimInfo *simnfo;
92	gezelter	637	};
93
94
95	mmeineke	644
96	mmeineke	377	#endif