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