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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_PHARM_POSIONIZABLEFEATUREGENERATOR_HPP
30 #define CDPL_PHARM_POSIONIZABLEFEATUREGENERATOR_HPP
64 void init(
bool chgd_groups_only);
69 #endif // CDPL_PHARM_POSIONIZABLEFEATUREGENERATOR_HPP
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.
PatternBasedFeatureGenerator.
Definition: PatternBasedFeatureGenerator.hpp:58
MolecularGraph.
Definition: MolecularGraph.hpp:52
PosIonizableFeatureGenerator(const Chem::MolecularGraph &molgraph, Pharmacophore &pharm, bool chgd_groups_only)
Perceives the positive ionizable group features of the molecular graph a\ molgraph and adds them to t...
Pharmacophore.
Definition: Pharmacophore.hpp:48
PosIonizableFeatureGenerator.
Definition: PosIonizableFeatureGenerator.hpp:46
The namespace of the Chemical Data Processing Library.
Definition of the class CDPL::Pharm::PatternBasedFeatureGenerator.
PosIonizableFeatureGenerator(bool chgd_groups_only)
Constructs the PosIonizableFeatureGenerator instance.