OOPSE/shapes/PDBReader.hpp

#ifndef __PDBREADER_HPP__
#define __PDBREADER_HPP__

#include "VDWAtom.hpp"
#include <fstream>
#include <vector>
#include <zlib.h>

using namespace std;

class PDBReader {

public: 

  PDBReader(void);
  ~PDBReader(void);  
  void setPDBfile(const char*);
  vector<VDWAtom*> getAtomList(void);
  unsigned int getTotAtoms(void);

private:

  int done;  
  vector<VDWAtom*> theAtoms;
  int status; 
  gzFile PDBfile;
  
};

#endif

Revision:	1182
Committed:	Fri May 21 14:23:20 2004 UTC (21 years, 6 months ago) by gezelter
File size:	430 byte(s)
Log Message:	Changes for SHAPES potential
#	User	Rev	Content
1	gezelter	1182	#ifndef __PDBREADER_HPP__
2			#define __PDBREADER_HPP__
3
4			#include "VDWAtom.hpp"
5			#include <fstream>
6			#include <vector>
7			#include <zlib.h>
8
9			using namespace std;
10
11			class PDBReader {
12
13			public:
14
15			PDBReader(void);
16			~PDBReader(void);
17			void setPDBfile(const char*);
18			vector<VDWAtom*> getAtomList(void);
19			unsigned int getTotAtoms(void);
20
21			private:
22
23			int done;
24			vector<VDWAtom*> theAtoms;
25			int status;
26			gzFile PDBfile;
27
28			};
29
30			#endif
31