RDKit
Open-source cheminformatics and machine learning.
AlignPoints.h File Reference

Go to the source code of this file.

Namespaces

 RDNumeric
 
 RDNumeric::Alignments
 

Functions

double RDNumeric::Alignments::AlignPoints (const RDGeom::Point3DConstPtrVect &refPoints, const RDGeom::Point3DConstPtrVect &probePoints, RDGeom::Transform3D &trans, const DoubleVector *weights=0, bool reflect=false, unsigned int maxIterations=50)
 Compute an optimal alignment (minimum sum of squared distance) More...