6 #ifndef BALL_SCORING_COMPONENTS_POLARITY_H
7 #define BALL_SCORING_COMPONENTS_POLARITY_H
76 void update(
const vector<std::pair<Atom*, Atom*> >& );
84 bool isPolar_(
const Atom* atom);
86 bool isLipophilic_(
const Atom* atom);
88 bool isBackboneAtom_(
const Atom* atom);
static const double POL_ES_THRESHOLD
Polarity(ScoringFunction &sf)
Polarity(const Polarity &bp)
static const double LIP_ES_THRESHOLD
void update(const vector< std::pair< Atom *, Atom * > > &)