SuperpositionResult Struct Reference

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...

#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

Definition at line 51 of file svd_superpose.hh.

Definition at line 52 of file svd_superpose.hh.

Definition at line 49 of file svd_superpose.hh.

int ncycles

Definition at line 46 of file svd_superpose.hh.

Definition at line 47 of file svd_superpose.hh.

Definition at line 48 of file svd_superpose.hh.

Definition at line 50 of file svd_superpose.hh.


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