6 #ifndef BALL_SCORING_COMPONENTS_SOLVATION_H
7 #define BALL_SCORING_COMPONENTS_SOLVATION_H
std::vector< std::pair< Atom *, Atom * > > AtomPairVector
virtual void update(const AtomPairVector &pair_vector)
std::map< String, double > solvation_parameters
std::map< String, double > solvation_volumes
Solvation(ScoringFunction &sf)
virtual double updateScore()