|
Chemical Data Processing Library C++ API - Version 1.1.1
|
Go to the documentation of this file.
29 #ifndef CDPL_DESCR_ENTITY3DCONTAINERFUNCTIONS_HPP
30 #define CDPL_DESCR_ENTITY3DCONTAINERFUNCTIONS_HPP
41 class Entity3DContainer;
53 #endif // CDPL_DESCR_ENTITY3DCONTAINERFUNCTIONS_HPP
CDPL_DESCR_API double calcGeometricalRadius(const Chem::AtomContainer &cntnr, const Chem::Atom3DCoordinatesFunction &coords_func)
CDPL_DESCR_API double calcGeometricalDiameter(const Chem::AtomContainer &cntnr, const Chem::Atom3DCoordinatesFunction &coords_func)
A common interface for data-structures that support a random access to stored Chem::Entity3D instance...
Definition: Entity3DContainer.hpp:53
The namespace of the Chemical Data Processing Library.
Definition of the preprocessor macro CDPL_DESCR_API.
#define CDPL_DESCR_API
Tells the compiler/linker which classes, functions and variables are part of the library API.