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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_PHARM_FEATUREDISTANCESCORE_HPP
30 #define CDPL_PHARM_FEATUREDISTANCESCORE_HPP
86 #endif // CDPL_PHARM_FEATUREDISTANCESCORE_HPP
Definition of the preprocessor macro CDPL_PHARM_API.
FeatureInteractionScore.
Definition: FeatureInteractionScore.hpp:50
#define CDPL_PHARM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
double getMinDistance() const
Definition of the class CDPL::Pharm::FeatureInteractionScore.
FeatureDistanceScore(double min_dist, double max_dist)
Constructs a FeatureDistanceScore functor with a minimum feature distance of min_dist and maximum dis...
CVector< double, 3 > Vector3D
A bounded 3 element vector holding floating point values of type double.
Definition: Vector.hpp:1637
std::shared_ptr< FeatureDistanceScore > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated FeatureDistanceScore instances.
Definition: FeatureDistanceScore.hpp:56
double operator()(const Feature &ftr1, const Feature &ftr2) const
double operator()(const Math::Vector3D &ftr1_pos, const Feature &ftr2) const
std::function< double(double)> DistanceScoringFunction
Definition: FeatureDistanceScore.hpp:58
The namespace of the Chemical Data Processing Library.
double getMaxDistance() const
Feature.
Definition: Feature.hpp:48
void setDistanceScoringFunction(const DistanceScoringFunction &func)
FeatureDistanceScore.
Definition: FeatureDistanceScore.hpp:50