svd_superpose.hh File Reference

#include <ost/base.hh>
#include <ost/geom/geom.hh>
#include <ost/mol/entity_view.hh>
#include <ost/mol/alg/module_config.hh>
#include <ost/mol/atom_view.hh>

Go to the source code of this file.

Data Structures
struct	SuperpositionResult
	stores the number of cycles and the two final EntityViews (in case IterativeSuperposition was applied), the root mean square deviation of the two superposed objects and the transformation matrix (geom::Mat4) to superpose input1 onto input2. More...
class	MeanSquareMinimizer

Namespaces
namespace	ost
namespace	ost::mol
namespace	ost::mol::alg

Functions
SuperpositionResult DLLEXPORT_OST_MOL_ALG	SuperposeAtoms (const mol::AtomViewList &atoms1, const mol::AtomViewList &atoms2, bool apply_transform)
SuperpositionResult DLLEXPORT_OST_MOL_ALG	SuperposeSVD (const mol::EntityView &ev1, const mol::EntityView &ev2, bool apply_transform)
SuperpositionResult DLLEXPORT_OST_MOL_ALG	SuperposeSVD (const std::vector< geom::Vec3 > &pl1, const std::vector< geom::Vec3 > &pl2)
SuperpositionResult DLLEXPORT_OST_MOL_ALG	IterativeSuperposeSVD (const mol::EntityView &ev1, const mol::EntityView &ev2, int max_cycles, Real distance_threshold, bool apply_transform)
SuperpositionResult DLLEXPORT_OST_MOL_ALG	IterativeSuperposeSVD (const std::vector< geom::Vec3 > &pl1, const std::vector< geom::Vec3 > &pl2, int max_cycles, Real distance_threshold)
Real DLLEXPORT_OST_MOL_ALG	CalculateRMSD (const mol::EntityView &ev1, const mol::EntityView &ev2, const geom::Mat4 &transformation)