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
12namespace BALL
13{
15 {
16 public:
17
19
20 double updateScore();
21
24
25 void update(const vector<std::pair<Atom*, Atom*> >& pair_vector);
26
27 };
28}
29
30
31#endif // BALL_SCORING_COMPONENTS_ROTATIONALENTROPY_H
Definition: constants.h:13
RotationalEntropy(ScoringFunction &sf)
void update(const vector< std::pair< Atom *, Atom * > > &pair_vector)
void setLigandIntraMolecular(bool b)
#define BALL_EXPORT
Definition: COMMON/global.h:50