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 (20 years, 11 months ago) by gezelter
File size:	430 byte(s)
Log Message:	Changes for SHAPES potential
#	Content
1	#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