BALL 1.5.0
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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
12namespace BALL
13{
15 {
16 public :
17 AdvancedElectrostatic(ScoringFunction* sf, Options& options, ForceFieldParameters& forcefield_parameters);
18
20
22
23 private:
24 float protein_dielectric_constant_;
25
26 float solvate_dielectric_constant_;
27 };
28}
29
30#endif // BALL_SCORING_COMPONENTS_ADVELECTROSTATIC_H
AdvancedElectrostatic(ScoringFunction *sf, VanDerWaals *vdw)
AdvancedElectrostatic(ScoringFunction *sf, Options &options, ForceFieldParameters &forcefield_parameters)
double calculateDielectricConstant(Vector3 &atom1, Vector3 &atom2)
#define BALL_EXPORT