BALL  1.5.0
rotationalEntropy.h
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1 // ----------------------------------------------------
2 // $Maintainer: Marcel Schumann $
3 // $Authors: Marcel Schumann $
4 // ----------------------------------------------------
5 
6 #ifndef BALL_SCORING_COMPONENTS_ROTATIONALENTROPY_H
7 #define BALL_SCORING_COMPONENTS_ROTATIONALENTROPY_H
8 
10 
11 
12 namespace BALL
13 {
15  {
16  public:
17 
19 
20  double updateScore();
21 
23  void setLigandIntraMolecular(bool b);
24 
25  void update(const vector<std::pair<Atom*, Atom*> >& pair_vector);
26 
27  };
28 }
29 
30 
31 #endif // BALL_SCORING_COMPONENTS_ROTATIONALENTROPY_H
BALL
Definition: constants.h:12
scoringComponent.h
BALL::ScoringComponent
Definition: scoringComponent.h:20
BALL::RotationalEntropy
Definition: rotationalEntropy.h:14
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::ScoringFunction
Definition: scoringFunction.h:28