29 #ifndef CDPL_CHEM_ATOM3DCOORDINATESFUNCTION_HPP
30 #define CDPL_CHEM_ATOM3DCOORDINATESFUNCTION_HPP
Definition of vector data types.
Abstract base class representing a chemical atom and its bonded neighborhood.
Definition: Atom.hpp:57
std::function< const Math::Vector3D &(const Chem::Atom &)> Atom3DCoordinatesFunction
Generic wrapper class used to store a user-defined Chem::Atom 3D-coordinates function.
Definition: Atom3DCoordinatesFunction.hpp:43
CVector< double, 3 > Vector3D
Bounded 3 element vector holding floating point values of type double.
Definition: Vector.hpp:2937
The namespace of the Chemical Data Processing Library.