stage/include/ost/mol/alg/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 DLLIMPORT	SuperposeAtoms (const mol::AtomViewList &atoms1, const mol::AtomViewList &atoms2, bool apply_transform)
SuperpositionResult DLLIMPORT	SuperposeSVD (const mol::EntityView &ev1, const mol::EntityView &ev2, bool apply_transform)
SuperpositionResult DLLIMPORT	SuperposeSVD (const geom::Vec3List &pl1, const geom::Vec3List &pl2)
SuperpositionResult DLLIMPORT	IterativeSuperposeSVD (const mol::EntityView &ev1, const mol::EntityView &ev2, int max_cycles, Real distance_threshold, bool apply_transform)
SuperpositionResult DLLIMPORT	IterativeSuperposeSVD (const geom::Vec3List &pl1, const geom::Vec3List &pl2, int max_cycles, Real distance_threshold)
Real DLLIMPORT	CalculateRMSD (const mol::EntityView &ev1, const mol::EntityView &ev2, const geom::Mat4 &transformation)