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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_PHARM_FEATUREGENERATOR_HPP
30 #define CDPL_PHARM_FEATUREGENERATOR_HPP
108 #endif // CDPL_PHARM_FEATUREGENERATOR_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.
virtual SharedPointer clone() const =0
std::shared_ptr< FeatureGenerator > SharedPointer
Definition: FeatureGenerator.hpp:60
virtual void generate(const Chem::MolecularGraph &molgraph, Pharmacophore &pharm)=0
Perceives pharmacophore features and adds them to the pharmacophore pharm.
FeatureGenerator()
Constructs the FeatureGenerator instance.
FeatureGenerator & operator=(const FeatureGenerator &gen)
const Chem::Atom3DCoordinatesFunction & getAtom3DCoordinatesFunction() const
Returns the function that was registered for the retrieval of atom 3D-coordinates.
FeatureGenerator.
Definition: FeatureGenerator.hpp:57
MolecularGraph.
Definition: MolecularGraph.hpp:52
Type definition of a generic wrapper class for storing user-defined Chem::Atom 3D-coordinates functio...
virtual void setAtom3DCoordinatesFunction(const Chem::Atom3DCoordinatesFunction &func)
Specifies a function for the retrieval of atom 3D-coordinates.
FeatureGenerator(const FeatureGenerator &gen)
Constructs a copy of the FeatureGenerator instance gen.
Pharmacophore.
Definition: Pharmacophore.hpp:48
virtual ~FeatureGenerator()
Definition: FeatureGenerator.hpp:70
std::function< const Math::Vector3D &(const Chem::Atom &)> Atom3DCoordinatesFunction
A generic wrapper class used to store a user-defined Chem::Atom 3D-coordinates function.
Definition: Atom3DCoordinatesFunction.hpp:43
The namespace of the Chemical Data Processing Library.
Definition of vector data types.