[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/ReadWrite.hpp

Comparing trunk/OOPSE/libmdtools/ReadWrite.hpp (file contents):
Revision 586 by mmeineke, Wed Jul 9 22:14:06 2003 UTC vs.
Revision 647 by mmeineke, Tue Jul 22 21:49:38 2003 UTC

#	Line 8 \| Line 8
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:
#	Line 52 \| Line 56 \| class InitializeFromFile{ (public)
56		InitializeFromFile( char *in_name );
57		~InitializeFromFile();
58
59	<	void read_xyz( SimInfo* the_entry_plug );
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] );
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 getNextFrame();
77	+
78	+	void scanFile( void );
79	+
80	+	private:
81	+
82	+	void getFrame(SimInfo* the_simnfo, int whichFrame);
83	+	char* parseDumpLine(char* line, int atomIndex);
84	+	char* parseCommentLine(char* line, double &time, double boxMat[9] );
85	+	FILE *inFile;
86	+	char inName[500];
87	+	bool isScanned;
88	+	int nFrames;
89	+
90	+	SimInfo *simnfo;
91	+	};
92	+
93	+
94	+
95		#endif

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