FeatureInteractionScoreGridCalculator.hpp File Reference

Definition of class CDPL::GRAIL::FeatureInteractionScoreGridCalculator. More...

#include <vector>
#include <cstddef>
#include <memory>
#include <functional>
#include "CDPL/GRAIL/APIPrefix.hpp"
#include "CDPL/Math/Vector.hpp"
#include "CDPL/Math/VectorArray.hpp"
#include "CDPL/Grid/SpatialGrid.hpp"

Go to the source code of this file.

Classes
class	CDPL::GRAIL::FeatureInteractionScoreGridCalculator
	Calculator that fills a spatial grid with per-cell feature-interaction scores against a set of target pharmacophore features. More...
struct	CDPL::GRAIL::FeatureInteractionScoreGridCalculator::MaxScoreFunctor
	Score-combination functor returning the maximum (infinity norm) of the per-feature scores. More...
struct	CDPL::GRAIL::FeatureInteractionScoreGridCalculator::ScoreSumFunctor
	Score-combination functor returning the sum of the per-feature scores. More...

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Pharm
	Contains classes and functions related to pharmacophore perception and pharmacophore applications.
	CDPL::GRAIL
	Contains classes and functions related to the GRAIL method [GRAIL, GRADE].

Detailed Description

Definition of class CDPL::GRAIL::FeatureInteractionScoreGridCalculator.