29 #ifndef CDPL_PHARM_HYDROPHOBICINTERACTIONSCORE_HPP
30 #define CDPL_PHARM_HYDROPHOBICINTERACTIONSCORE_HPP
51 static constexpr
double DEF_MIN_DISTANCE = 2.0;
53 static constexpr
double DEF_MAX_DISTANCE = 6.0;
Definition of class CDPL::Pharm::FeatureDistanceScore.
Definition of the preprocessor macro CDPL_PHARM_API.
#define CDPL_PHARM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Pharm::FeatureInteractionScore implementation that scores a feature pair based on whether their 3D-po...
Definition: FeatureDistanceScore.hpp:51
Pharm::FeatureDistanceScore specialization that scores a hydrophobic feature pair based on its center...
Definition: HydrophobicInteractionScore.hpp:47
std::shared_ptr< HydrophobicInteractionScore > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated HydrophobicInteractionScore insta...
Definition: HydrophobicInteractionScore.hpp:58
HydrophobicInteractionScore(double min_dist=DEF_MIN_DISTANCE, double max_dist=DEF_MAX_DISTANCE)
Constructs a HydrophobicInteractionScore functor with a minimum hydrophobic-feature pair distance of ...
Definition: HydrophobicInteractionScore.hpp:66
The namespace of the Chemical Data Processing Library.