OpenStructure
Data Structures | Namespaces | Functions
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
 
class  MeanSquareMinimizer
 

Namespaces

 ost
 
 ost::mol
 
 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 geom::Vec3List &pl1, const geom::Vec3List &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 geom::Vec3List &pl1, const geom::Vec3List &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)