AlignPoints.h File Reference

#include <RDGeneral/export.h>
#include <Geometry/point.h>
#include <Geometry/Transform3D.h>
#include <Numerics/Vector.h>

Go to the source code of this file.

Namespaces
namespace	RDNumeric
namespace	RDNumeric::Alignments

Functions
double RDKIT_ALIGNMENT_EXPORT	RDNumeric::Alignments::AlignPoints (const RDGeom::Point3DConstPtrVect &refPoints, const RDGeom::Point3DConstPtrVect &probePoints, RDGeom::Transform3D &trans, const DoubleVector *weights=nullptr, bool reflect=false, unsigned int maxIterations=50)
	Compute an optimal alignment (minimum sum of squared distance) between two sets of points in 3D using the quaternion method.