GRAILDescriptorCalculator.hpp File Reference

Definition of the class CDPL::GRAIL::GRAILDescriptorCalculator. More...

#include <cstddef>
#include <memory>
#include "CDPL/GRAIL/APIPrefix.hpp"
#include "CDPL/Chem/Atom3DCoordinatesFunction.hpp"
#include "CDPL/Math/VectorArray.hpp"
#include "CDPL/Math/Vector.hpp"

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Classes
class	CDPL::GRAIL::GRAILDescriptorCalculator
	GRAILDescriptorCalculator. More...

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::GRAIL
	Contains classes and functions related to the GRAIL method [GRAIL].

Detailed Description

Definition of the class CDPL::GRAIL::GRAILDescriptorCalculator.