#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) |