Chem/Entity3DContainerFunctions.hpp File Reference

Declaration of functions that operate on Chem::Entity3DContainer instances. More...

#include "CDPL/Chem/APIPrefix.hpp"
#include "CDPL/Math/VectorArray.hpp"
#include "CDPL/Math/Matrix.hpp"

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Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.

Functions
CDPL_CHEM_API void	CDPL::Chem::calcGeometricalDistanceMatrix (const Entity3DContainer &cntnr, Math::DMatrix &mtx)
CDPL_CHEM_API void	CDPL::Chem::get3DCoordinates (const Entity3DContainer &cntnr, Math::Vector3DArray &coords, bool append=false)
CDPL_CHEM_API void	CDPL::Chem::set3DCoordinates (Entity3DContainer &cntnr, const Math::Vector3DArray &coords)
CDPL_CHEM_API void	CDPL::Chem::transform3DCoordinates (Entity3DContainer &cntnr, const Math::Matrix4D &mtx)
CDPL_CHEM_API bool	CDPL::Chem::align3DCoordinates (Entity3DContainer &cntnr, const Entity3DContainer &ref_entities, const Math::Vector3DArray &ref_coords)
CDPL_CHEM_API bool	CDPL::Chem::calcCentroid (const Entity3DContainer &cntnr, Math::Vector3D &ctr)
CDPL_CHEM_API void	CDPL::Chem::calcBoundingBox (const Entity3DContainer &cntnr, Math::Vector3D &min, Math::Vector3D &max, bool reset=true)
CDPL_CHEM_API bool	CDPL::Chem::insideBoundingBox (const Entity3DContainer &cntnr, const Math::Vector3D &min, const Math::Vector3D &max)
CDPL_CHEM_API bool	CDPL::Chem::intersectsBoundingBox (const Entity3DContainer &cntnr, const Math::Vector3D &min, const Math::Vector3D &max)

Detailed Description

Declaration of functions that operate on Chem::Entity3DContainer instances.