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

Comparing:
branches/mmeineke/OOPSE/libmdtools/ReadWrite.hpp (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libmdtools/ReadWrite.hpp (file contents), Revision 657 by chuckv, Wed Jul 30 21:17:01 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 21 \| Line 25 \| class DumpWriter{ (public)
25		~DumpWriter();
26
27		void writeDump( double currentTime );
28	<	void writeFinal( void );
28	>	void writeFinal( double finalTime );
29
30		private:
31		SimInfo* entry_plug;
#	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], double &time );
64		FILE *c_in_file;
65		char c_in_name[500];
66	<	SimInfo* entry_plug;
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

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