BALL
1.5.0
include
BALL
SCORING
COMPONENTS
rotationalEntropy.h
Go to the documentation of this file.
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
9
#include <
BALL/SCORING/COMMON/scoringComponent.h
>
10
11
12
namespace
BALL
13
{
14
class
BALL_EXPORT
RotationalEntropy
:
public
ScoringComponent
15
{
16
public
:
17
18
RotationalEntropy
(
ScoringFunction
& sf);
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_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
BALL::RotationalEntropy::RotationalEntropy
RotationalEntropy(ScoringFunction &sf)
BALL::RotationalEntropy::setLigandIntraMolecular
void setLigandIntraMolecular(bool b)
BALL
Definition:
constants.h:13
scoringComponent.h
BALL::ScoringComponent
Definition:
scoringComponent.h:21
BALL::RotationalEntropy::updateScore
double updateScore()
BALL::RotationalEntropy::update
void update(const vector< std::pair< Atom *, Atom * > > &pair_vector)
BALL::RotationalEntropy
Definition:
rotationalEntropy.h:15
BALL::ScoringFunction
Definition:
scoringFunction.h:29
Generated by
1.8.20