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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_PHARM_IONICINTERACTIONCONSTRAINT_HPP
30 #define CDPL_PHARM_IONICINTERACTIONCONSTRAINT_HPP
49 static constexpr
double DEF_MIN_DISTANCE = 1.5;
50 static constexpr
double DEF_MAX_DISTANCE = 5.5;
64 #endif // CDPL_PHARM_IONICINTERACTIONCONSTRAINT_HPP
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.
IonicInteractionConstraint.
Definition: IonicInteractionConstraint.hpp:46
FeatureDistanceConstraint.
Definition: FeatureDistanceConstraint.hpp:47
The namespace of the Chemical Data Processing Library.
IonicInteractionConstraint(double min_dist=DEF_MIN_DISTANCE, double max_dist=DEF_MAX_DISTANCE)
Constructs a IonicInteractionConstraint functor with a minimum ionic-feature pair distance of min_dis...
Definition: IonicInteractionConstraint.hpp:58
Definition of the class CDPL::Pharm::FeatureDistanceConstraint.