BALL  1.5.0
advElectrostatic.h
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1 // ----------------------------------------------------
2 // $Maintainer: Marcel Schumann $
3 // $Authors: Marcel Schumann $
4 // ----------------------------------------------------
5 
6 #ifndef BALL_SCORING_COMPONENTS_ADVELECTROSTATIC_H
7 #define BALL_SCORING_COMPONENTS_ADVELECTROSTATIC_H
8 
10 
11 
12 namespace BALL
13 {
15  {
16  public :
17  AdvancedElectrostatic(ScoringFunction* sf, Options& options, ForceFieldParameters& forcefield_parameters);
18 
20 
21  double calculateDielectricConstant(Vector3& atom1, Vector3& atom2);
22 
23  private:
24  float protein_dielectric_constant_;
25 
26  float solvate_dielectric_constant_;
27  };
28 }
29 
30 #endif // BALL_SCORING_COMPONENTS_ADVELECTROSTATIC_H
BALL::Options
Definition: options.h:46
electrostatic.h
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::ScoringFunction
Definition: scoringFunction.h:28
BALL::Electrostatic
Definition: electrostatic.h:16
BALL::VanDerWaals
Definition: vanDerWaals.h:16
BALL::TVector3< float >
BALL
Definition: constants.h:12
BALL::ForceFieldParameters
Definition: forceFieldParameters.h:29
BALL::AdvancedElectrostatic
Definition: advElectrostatic.h:14