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);
  char *TrimSpaces(char *str);

private:

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

#endif

Revision:	1184
Committed:	Fri May 21 18:34:52 2004 UTC (20 years, 1 month ago) by gezelter
File size:	461 byte(s)
Log Message:	Got PDB reading working, and matching atom types too!
#	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	char TrimSpaces(char str);
21
22	private:
23
24	int done;
25	vector<VDWAtom*> theAtoms;
26	int status;
27	gzFile PDBfile;
28
29	};
30
31	#endif
32