29 #ifndef CDPL_PHARM_FEATUREPOSITIONMATCHFUNCTOR_HPP
30 #define CDPL_PHARM_FEATUREPOSITIONMATCHFUNCTOR_HPP
59 qryMode(query_mode) {}
Definition of matrix data types.
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.
Match functor that quantifies the goodness of the 3D-position match between two pharmacophore feature...
Definition: FeaturePositionMatchFunctor.hpp:50
double operator()(const Feature &ftr1, const Feature &ftr2, const Math::Matrix4D &xform) const
Checks if the distance between ftr1 and ftr2 is below the allowed maximum and calculates a score refl...
FeaturePositionMatchFunctor(bool query_mode)
Constructs the FeaturePositionMatchFunctor instance.
Definition: FeaturePositionMatchFunctor.hpp:58
bool queryMode() const
Tells whether the functor operates in query mode.
double operator()(const Feature &ftr1, const Feature &ftr2) const
Checks if the distance between ftr1 and ftr2 is below the allowed maximum and calculates a score refl...
Abstract base class representing a single pharmacophore feature within a parent Pharm::Pharmacophore.
Definition: Feature.hpp:48
The namespace of the Chemical Data Processing Library.