24 #ifndef BALL_SCORING_COMMON_SCORINGCOMPONENT_H
25 #define BALL_SCORING_COMMON_SCORINGCOMPONENT_H
36 class ScoringFunction;
49 void selectBaseFunction(
String function);
59 virtual void setupLigand();
67 void setName(
const String& name);
69 const String& getTypeName();
73 double getRawScore()
const;
75 double getScaledScore()
const;
79 virtual void update(
const vector<std::pair<Atom*, Atom*> >& pair_vector);
83 virtual double updateScore();
85 virtual void setLigandIntraMolecular(
bool b);
88 bool isLigandIntraMolecular();
94 bool isAtomPairwise();
96 void setCoefficient(
const double& coeff);
98 const double& getCoefficient();
100 void setNormalizationParameters(
double stddev,
double mean);
102 void getNormalizationParameters(
double& stddev,
double& mean);
140 double scaleScore(
double score)
const;
163 #endif // BALL_SCORING_COMMON_SCORINGCOMPONENT_H
ScoringBaseFunction * base_function_
-*- Mode: C++; tab-width: 2; -*-
bool ligand_intra_molecular_
ScoringFunction * scoring_function_