trunk/SHAPES/PDBReader.hpp

#ifndef __PDBREADER_HPP__
#define __PDBREADER_HPP__

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

using namespace std;

class PDBReader {

public: 

  PDBReader(void);
  ~PDBReader(void);  
  void setPDBfileName(const char*);  
  void setPDBfile(FILE* myFile);
  vector<VDWAtom*> getAtomList(void);
  unsigned int getTotAtoms(void);
  char *TrimSpaces(char *str);

private:

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

#endif

Revision:	1360
Committed:	Tue Jul 20 20:02:15 2004 UTC (19 years, 11 months ago) by gezelter
File size:	481 byte(s)
Log Message:	Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
#	Content
1	#ifndef __PDBREADER_HPP__
2	#define __PDBREADER_HPP__
3
4	#include "VDWAtom.hpp"
5	#include <fstream>
6	#include <vector>
7
8	using namespace std;
9
10	class PDBReader {
11
12	public:
13
14	PDBReader(void);
15	~PDBReader(void);
16	void setPDBfileName(const char*);
17	void setPDBfile(FILE* myFile);
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	FILE* PDBfile;
28
29	};
30
31	#endif
32