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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_GRAIL_HPP
30 #define CDPL_GRAIL_HPP
47 #endif // CDPL_GRAIL_HPP
Definition of the class CDPL::GRAIL::BuriednessGridCalculator.
Definition of constants in namespace CDPL::GRAIL::AttributedGridPropertyDefault.
Definition of the class CDPL::GRAIL::BindingAffinityCalculator.
Definition of the class CDPL::GRAIL::FeatureInteractionScoreGridCalculator.
Definition of the class CDPL::GRAIL::BuriednessScore.
Definition of constants in namespace CDPL::GRAIL::FeatureType.
Definition of constants in namespace CDPL::GRAIL::AttributedGridProperty.
Declaration of functions that operate on Chem::Molecule instances.
Definition of the class CDPL::GRAIL::AtomDensityGridCalculator.
Declaration of functions that operate on Grid::AttributedGrid instances.
Definition of the class CDPL::GRAIL::GRAILDescriptorCalculator.
Declaration of functions that operate on Pharm::Feature instances.
Definition of the class CDPL::GRAIL::GeneralizedBellAtomDensity.
Definition of the class CDPL::GRAIL::GRAILDataSetGenerator.