6 #ifndef BALL_SCORING_COMPONENTS_FRAGMENTATIONALSOLVATION_H
7 #define BALL_SCORING_COMPONENTS_FRAGMENTATIONALSOLVATION_H
std::vector< std::pair< Atom *, Atom * > > AtomPairVector
Three-dimensional Hash Grid Class.
void update(const AtomPairVector &pair_vector)
FragmentationalSolvation(ScoringFunction &sf)