FeatureGenerator.
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#include <FeatureGenerator.hpp>
◆ SharedPointer
◆ FeatureGenerator() [1/2]
CDPL::Pharm::FeatureGenerator::FeatureGenerator |
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Constructs the FeatureGenerator
instance.
◆ ~FeatureGenerator()
virtual CDPL::Pharm::FeatureGenerator::~FeatureGenerator |
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inlinevirtual |
◆ FeatureGenerator() [2/2]
Constructs a copy of the FeatureGenerator
instance gen.
- Parameters
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gen | The FeatureGenerator instance to copy. |
◆ setAtom3DCoordinatesFunction()
Specifies a function for the retrieval of atom 3D-coordinates.
- Parameters
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func | The atom 3D-coordinates function. |
◆ getAtom3DCoordinatesFunction()
Returns the function that was registered for the retrieval of atom 3D-coordinates.
- Returns
- The registered atom 3D-coordinates function.
◆ generate()
Perceives pharmacophore features and adds them to the pharmacophore pharm.
- Parameters
-
molgraph | The molecular graph for which to perceive the features. |
pharm | The output pharmacophore where to add the generated features. |
Implemented in CDPL::Pharm::PatternBasedFeatureGenerator.
◆ clone()
virtual SharedPointer CDPL::Pharm::FeatureGenerator::clone |
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const |
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pure virtual |
◆ operator=()
The documentation for this class was generated from the following file: