29 #ifndef CDPL_PHARM_XBONDDONORFEATUREGENERATOR_HPP
30 #define CDPL_PHARM_XBONDDONORFEATUREGENERATOR_HPP
Definition of the 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.
MolecularGraph.
Definition: MolecularGraph.hpp:52
PatternBasedFeatureGenerator.
Definition: PatternBasedFeatureGenerator.hpp:58
Pharmacophore.
Definition: Pharmacophore.hpp:48
XBondDonorFeatureGenerator.
Definition: XBondDonorFeatureGenerator.hpp:46
XBondDonorFeatureGenerator()
Constructs the XBondDonorFeatureGenerator instance.
XBondDonorFeatureGenerator(const Chem::MolecularGraph &molgraph, Pharmacophore &pharm)
Perceives the halogen bond donor features of the molecular graph a\ molgraph and adds them to the pha...
The namespace of the Chemical Data Processing Library.