BALL  1.5.0
electrostatic.h
Go to the documentation of this file.
1 // ----------------------------------------------------
2 // $Maintainer: Marcel Schumann $
3 // $Authors: Marcel Schumann $
4 // ----------------------------------------------------
5 
6 #ifndef BALL_SCORING_COMPONENTS_ELECTROSTATIC_H
7 #define BALL_SCORING_COMPONENTS_ELECTROSTATIC_H
8 
11 
12 namespace BALL
13 {
14  class VanDerWaals;
15 
17  {
18  public :
19  Electrostatic(Options& options, ForceFieldParameters& forcefield_parameters);
20 
22 
24 
25  void update(const vector<std::pair<Atom*, Atom*> >& pair_vector);
26 
27  double updateScore();
28 
30 
31  private:
32  bool do_calculations_;
33 
34  protected:
36  };
37 }
38 
39 #endif // BALL_SCORING_COMPONENTS/ELECTROSTATIC_H
Definition: constants.h:13
Electrostatic(Options &options, ForceFieldParameters &forcefield_parameters)
AmberNonBonded * amber_nb_
Definition: electrostatic.h:35
Electrostatic(VanDerWaals *vdw)
void update(const vector< std::pair< Atom *, Atom * > > &pair_vector)
AmberNonBonded * getAmberNonBonded()
#define BALL_EXPORT
Definition: COMMON/global.h:50