29 #ifndef CDPL_CHEM_ATOM3DCOORDINATESFUNCTOR_HPP
30 #define CDPL_CHEM_ATOM3DCOORDINATESFUNCTOR_HPP
Definition of the preprocessor macro CDPL_CHEM_API.
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Definition of vector data types.
Atom.
Definition: Atom.hpp:52
CVector< double, 3 > Vector3D
A bounded 3 element vector holding floating point values of type double.
Definition: Vector.hpp:1637
The namespace of the Chemical Data Processing Library.
Atom3DCoordinatesFunctor.
Definition: Atom3DCoordinatesFunctor.hpp:48
const Math::Vector3D & operator()(const Atom &atom) const
Returns the 3D-coordinates of the argument atom.