6 #ifndef BALL_SCORING_COMMON_SCORINGCOMPONENT_H
7 #define BALL_SCORING_COMMON_SCORINGCOMPONENT_H
18 class ScoringFunction;
61 virtual void update(
const vector<std::pair<Atom*, Atom*> >& pair_vector);
virtual void update(const vector< std::pair< Atom *, Atom * > > &pair_vector)
bool ligand_intra_molecular_
bool isLigandIntraMolecular()
ScoringComponent(const ScoringComponent &sc)
ScoringFunction * getScoringFunction() const
void setName(const String &name)
virtual void setLigandIntraMolecular(bool b)
double getScaledScore() const
void setCoefficient(const double &coeff)
virtual double updateScore()
double getRawScore() const
void setScoringFunction(ScoringFunction &sf)
void setNormalizationParameters(double stddev, double mean)
ScoringComponent(ScoringFunction &sf)
ScoringBaseFunction * base_function_
const double & getCoefficient()
virtual ~ScoringComponent()
void selectBaseFunction(String function)
virtual void setupLigand()
void getNormalizationParameters(double &stddev, double &mean)
double scaleScore(double score) const
const String & getTypeName()
ScoringFunction * scoring_function_