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 |
|