RDKit: AlignPoints.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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Namespaces | Functions
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.