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"
#	User	Rev	Content
1	gezelter	1240	#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	gezelter	1360	void setPDBfileName(const char*);
17			void setPDBfile(FILE* myFile);
18	gezelter	1240	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	gezelter	1360	FILE* PDBfile;
28	gezelter	1240
29			};
30
31			#endif
32