|
Chemical Data Processing Library C++ API - Version 1.1.1
|
Go to the documentation of this file.
29 #ifndef CDPL_PHARM_IONICINTERACTIONSCORE_HPP
30 #define CDPL_PHARM_IONICINTERACTIONSCORE_HPP
49 static constexpr
double DEF_MIN_DISTANCE = 1.5;
50 static constexpr
double DEF_MAX_DISTANCE = 5.5;
69 #endif // CDPL_PHARM_IONICINTERACTIONSCORE_HPP
Definition of the 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.
IonicInteractionScore(double min_dist=DEF_MIN_DISTANCE, double max_dist=DEF_MAX_DISTANCE)
Constructs a IonicInteractionScore functor with a minimum ionic-feature pair distance of min_dist and...
Definition: IonicInteractionScore.hpp:63
IonicInteractionScore.
Definition: IonicInteractionScore.hpp:46
The namespace of the Chemical Data Processing Library.
std::shared_ptr< IonicInteractionScore > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated IonicInteractionScore instances.
Definition: IonicInteractionScore.hpp:55
FeatureDistanceScore.
Definition: FeatureDistanceScore.hpp:50