BALL
1.4.79
Main Page
Related Pages
Modules
Namespaces
Classes
Files
File List
File Members
include
BALL
SCORING
COMPONENTS
rotationalEntropy.h
Go to the documentation of this file.
1
/* rotationalEntropy.h
2
*
3
* Copyright (C) 2011 Marcel Schumann
4
*
5
* This program free software; you can redistribute it and/or modify
6
* it under the terms of the GNU General Public License as published by
7
* the Free Software Foundation; either version 3 of the License, or (at
8
* your option) any later version.
9
*
10
* This program is distributed in the hope that it will be useful, but
11
* WITHOUT ANY WARRANTY; without even the implied warranty of
12
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
13
* General Public License for more details.
14
*
15
* You should have received a copy of the GNU General Public License
16
* along with this program; if not, see <http://www.gnu.org/licenses/>.
17
*/
18
19
// ----------------------------------------------------
20
// $Maintainer: Marcel Schumann $
21
// $Authors: Marcel Schumann $
22
// ----------------------------------------------------
23
24
#ifndef BALL_SCORING_COMPONENTS_ROTATIONALENTROPY_H
25
#define BALL_SCORING_COMPONENTS_ROTATIONALENTROPY_H
26
27
#include <
BALL/SCORING/COMMON/scoringComponent.h
>
28
29
30
namespace
BALL
31
{
32
class
BALL_EXPORT
RotationalEntropy
:
public
ScoringComponent
33
{
34
public
:
35
36
RotationalEntropy
(
ScoringFunction
& sf);
37
38
double
updateScore();
39
41
void
setLigandIntraMolecular(
bool
b);
42
43
void
update(
const
vector<std::pair<Atom*, Atom*> >& pair_vector);
44
45
};
46
}
47
48
49
#endif // BALL_SCORING_COMPONENTS_ROTATIONALENTROPY_H
BALL::ScoringFunction
Definition:
scoringFunction.h:28
BALL::ScoringComponent
Definition:
scoringComponent.h:38
scoringComponent.h
BALL::RotationalEntropy
Definition:
rotationalEntropy.h:32
BALL
-*- Mode: C++; tab-width: 2; -*-
Definition:
constants.h:12
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
Generated by
1.8.9.1