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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_ENTITY3DFUNCTIONS_HPP
30 #define CDPL_CHEM_ENTITY3DFUNCTIONS_HPP
54 #endif // CDPL_CHEM_ENTITY3DFUNCTIONS_HPP
Definition of the preprocessor macro CDPL_CHEM_API.
CDPL_CHEM_API void set3DCoordinates(Entity3DContainer &cntnr, const Math::Vector3DArray &coords)
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
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.
CDPL_CHEM_API bool has3DCoordinates(const Entity3D &entity)
Entity3D.
Definition: Entity3D.hpp:46
CDPL_CHEM_API void get3DCoordinates(const AtomContainer &cntnr, Math::Vector3DArray &coords, const Atom3DCoordinatesFunction &coords_func, bool append=false)
CDPL_CHEM_API void clear3DCoordinates(Entity3D &entity)
Definition of vector data types.