SuperposerSVD Class Reference

#include <svd_superpose.hh>

Public Member Functions
	SuperposerSVD (int natoms, bool alloc_atoms)
	~SuperposerSVD ()
SuperpositionResult	Run (const mol::EntityView &ev1, const mol::EntityView &ev2)
SuperpositionResult	Run (const mol::AtomViewList &atoms1, const mol::AtomViewList &atoms2)
SuperpositionResult	Run (const std::vector< geom::Vec3 > &pl1, const std::vector< geom::Vec3 > &pl2)

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Detailed Description

efficiently superpose a bunch of models with the same number of atoms Choose either two EntityViews or two AtomViewLists.

Definition at line 56 of file svd_superpose.hh.

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Constructor & Destructor Documentation

SuperposerSVD	(	int	natoms,
		bool	alloc_atoms
	)

~SuperposerSVD

(

)

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Member Function Documentation

SuperpositionResult Run	(	const mol::EntityView &	ev1,
		const mol::EntityView &	ev2
	)

SuperpositionResult Run	(	const mol::AtomViewList &	atoms1,
		const mol::AtomViewList &	atoms2
	)

SuperpositionResult Run	(	const std::vector< geom::Vec3 > &	pl1,
		const std::vector< geom::Vec3 > &	pl2
	)

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The documentation for this class was generated from the following file:

• stage/include/ost/mol/alg/svd_superpose.hh