29 #ifndef CDPL_PHARM_XBONDACCEPTORFEATUREGENERATOR_HPP
30 #define CDPL_PHARM_XBONDACCEPTORFEATUREGENERATOR_HPP
Definition of class CDPL::Pharm::PatternBasedFeatureGenerator.
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.
Abstract base class for representations of a chemical structure as a graph of bonded atoms.
Definition: MolecularGraph.hpp:57
Pharm::FeatureGenerator implementation that perceives pharmacophore features by SMARTS-like substruct...
Definition: PatternBasedFeatureGenerator.hpp:59
Abstract base class for mutable containers of Pharm::Feature instances representing a pharmacophore m...
Definition: Pharmacophore.hpp:53
Pharm::FeatureGenerator implementation that perceives halogen-bond acceptor features by matching a bu...
Definition: XBondAcceptorFeatureGenerator.hpp:47
XBondAcceptorFeatureGenerator()
Constructs the XBondAcceptorFeatureGenerator instance.
XBondAcceptorFeatureGenerator(const Chem::MolecularGraph &molgraph, Pharmacophore &pharm)
Perceives the halogen bond acceptor features of the molecular graph molgraph and adds them to the pha...
The namespace of the Chemical Data Processing Library.