Chemical Data Processing Library C++ API - Version 1.1.1
Public Types | Public Member Functions | Protected Member Functions | List of all members
CDPL::Pharm::FeatureGenerator Class Referenceabstract

FeatureGenerator. More...

#include <FeatureGenerator.hpp>

+ Inheritance diagram for CDPL::Pharm::FeatureGenerator:

Public Types

typedef std::shared_ptr< FeatureGeneratorSharedPointer
 

Public Member Functions

 FeatureGenerator ()
 Constructs the FeatureGenerator instance. More...
 
virtual ~FeatureGenerator ()
 
virtual void setAtom3DCoordinatesFunction (const Chem::Atom3DCoordinatesFunction &func)
 Specifies a function for the retrieval of atom 3D-coordinates. More...
 
const Chem::Atom3DCoordinatesFunctiongetAtom3DCoordinatesFunction () const
 Returns the function that was registered for the retrieval of atom 3D-coordinates. More...
 
virtual void generate (const Chem::MolecularGraph &molgraph, Pharmacophore &pharm)=0
 Perceives pharmacophore features and adds them to the pharmacophore pharm. More...
 
virtual SharedPointer clone () const =0
 

Protected Member Functions

 FeatureGenerator (const FeatureGenerator &gen)
 Constructs a copy of the FeatureGenerator instance gen. More...
 
FeatureGeneratoroperator= (const FeatureGenerator &gen)
 

Detailed Description

FeatureGenerator.

Member Typedef Documentation

◆ SharedPointer

Constructor & Destructor Documentation

◆ FeatureGenerator() [1/2]

CDPL::Pharm::FeatureGenerator::FeatureGenerator ( )

Constructs the FeatureGenerator instance.

◆ ~FeatureGenerator()

virtual CDPL::Pharm::FeatureGenerator::~FeatureGenerator ( )
inlinevirtual

Virtual destructor.

◆ FeatureGenerator() [2/2]

CDPL::Pharm::FeatureGenerator::FeatureGenerator ( const FeatureGenerator gen)
protected

Constructs a copy of the FeatureGenerator instance gen.

Parameters
genThe FeatureGenerator instance to copy.

Member Function Documentation

◆ setAtom3DCoordinatesFunction()

virtual void CDPL::Pharm::FeatureGenerator::setAtom3DCoordinatesFunction ( const Chem::Atom3DCoordinatesFunction func)
virtual

Specifies a function for the retrieval of atom 3D-coordinates.

Parameters
funcThe atom 3D-coordinates function.

◆ getAtom3DCoordinatesFunction()

const Chem::Atom3DCoordinatesFunction& CDPL::Pharm::FeatureGenerator::getAtom3DCoordinatesFunction ( ) const

Returns the function that was registered for the retrieval of atom 3D-coordinates.

Returns
The registered atom 3D-coordinates function.

◆ generate()

virtual void CDPL::Pharm::FeatureGenerator::generate ( const Chem::MolecularGraph molgraph,
Pharmacophore pharm 
)
pure virtual

Perceives pharmacophore features and adds them to the pharmacophore pharm.

Parameters
molgraphThe molecular graph for which to perceive the features.
pharmThe output pharmacophore where to add the generated features.

Implemented in CDPL::Pharm::PatternBasedFeatureGenerator.

◆ clone()

virtual SharedPointer CDPL::Pharm::FeatureGenerator::clone ( ) const
pure virtual

◆ operator=()

FeatureGenerator& CDPL::Pharm::FeatureGenerator::operator= ( const FeatureGenerator gen)
protected

The documentation for this class was generated from the following file: