Revision: | 1182 |
Committed: | Fri May 21 14:23:20 2004 UTC (20 years, 1 month ago) by gezelter |
File size: | 430 byte(s) |
Log Message: | Changes for SHAPES potential |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 1182 | #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 |