SuperpositionResult Struct Reference

#include <svd_superpose.hh>

Public Member Functions
	SuperpositionResult ()

Data Fields
int	ncycles
Real	rmsd
Real	rmsd_superposed_atoms
Real	fraction_superposed
geom::Mat4	transformation
mol::EntityView	entity_view1
mol::EntityView	entity_view2

Detailed Description

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.

Definition at line 42 of file svd_superpose.hh.

Constructor & Destructor Documentation

SuperpositionResult ( )

inline

Definition at line 43 of file svd_superpose.hh.

Field Documentation

mol::EntityView entity_view1

Definition at line 51 of file svd_superpose.hh.

mol::EntityView entity_view2

Definition at line 52 of file svd_superpose.hh.

Real fraction_superposed

Definition at line 49 of file svd_superpose.hh.

int ncycles

Definition at line 46 of file svd_superpose.hh.

Real rmsd

Definition at line 47 of file svd_superpose.hh.

Real rmsd_superposed_atoms

Definition at line 48 of file svd_superpose.hh.

geom::Mat4 transformation

Definition at line 50 of file svd_superpose.hh.

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

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