OrthogonalPiPiInteractionScore.hpp File Reference

Definition of class CDPL::Pharm::OrthogonalPiPiInteractionScore. More...

#include <functional>
#include "CDPL/Pharm/APIPrefix.hpp"
#include "CDPL/Pharm/FeatureInteractionScore.hpp"

Go to the source code of this file.

Classes
class	CDPL::Pharm::OrthogonalPiPiInteractionScore
	Pharm::FeatureInteractionScore implementation that scores an aromatic feature pair for an orthogonal (T-shaped) π-π interaction by combining per-component scores for horizontal/vertical center separations and ring-plane-normal angle. More...

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Pharm
	Contains classes and functions related to pharmacophore perception and pharmacophore applications.

Detailed Description

Definition of class CDPL::Pharm::OrthogonalPiPiInteractionScore.