Descr/AtomContainerFunctions.hpp File Reference

Declaration of functions that operate on Chem::AtomContainer instances. More...

#include "CDPL/Descr/APIPrefix.hpp"
#include "CDPL/Chem/Atom3DCoordinatesFunction.hpp"

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Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::Descr
	Contains classes and functions related to the generation and processing of pharmacophore and molecule descriptors.

Functions
CDPL_DESCR_API double	CDPL::Descr::calcGeometricalRadius (const Chem::AtomContainer &cntnr, const Chem::Atom3DCoordinatesFunction &coords_func)
CDPL_DESCR_API double	CDPL::Descr::calcGeometricalDiameter (const Chem::AtomContainer &cntnr, const Chem::Atom3DCoordinatesFunction &coords_func)

Detailed Description

Declaration of functions that operate on Chem::AtomContainer instances.