BALL  1.5.0
rotateBonds.h
Go to the documentation of this file.
1 // ----------------------------------------------------
2 // $Maintainer: Marcel Schumann $
3 // $Authors: Jan Fuhrmann, Marcel Schumann $
4 // ----------------------------------------------------
5 
6 #ifndef BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H
7 #define BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H
8 
9 #include <BALL/KERNEL/system.h>
10 #include <BALL/KERNEL/atom.h>
11 #include <BALL/DATATYPE/hashSet.h>
12 #include <BALL/KERNEL/protein.h>
14 
15 #include <vector>
16 
17 
18 namespace BALL
19 {
20  class RotateBond;
21 
23  {
24  public:
25 
26  RotateBonds(const vector<Bond*>* rotatable_bonds);
27 
31 
34  RotateBonds& operator= (const RotateBonds& rb);
35 
39 
42  void rotate(std::vector<double> vec);
43 
46  int numberBonds();
47 
48  private:
49 
52  std::vector<RotateBond*> bonds_;
53 
54  };
55 }
56 
57 #endif /* BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H */
Definition: constants.h:13
RotateBonds(const vector< Bond * > *rotatable_bonds)
void rotate(std::vector< double > vec)
RotateBonds(const RotateBonds &rb)
#define BALL_DEPRECATED
Definition: COMMON/global.h:64
#define BALL_EXPORT
Definition: COMMON/global.h:50