5#ifndef BALL_STRUCTURE_RMSDMINIMIZER_H
6#define BALL_STRUCTURE_RMSDMINIMIZER_H
8#ifndef BALL_STRUCTURE_ATOMBIJECTION_H
12#ifndef BALL_MATHS_MATRIX44_H
47 typedef std::pair<Matrix4x4, double>
Result;
std::pair< Matrix4x4, double > Result
static Result computeTransformation(const AtomBijection &ab)
static double minimizeRMSD(AtomContainer &a, AtomContainer &b)
static Result computeTransformation(const PointVector &X, const PointVector &Y)
std::vector< Vector3 > PointVector
IncompatibleCoordinateSets(const char *, int, Size, Size)
TooFewCoordinates(const char *, int, Size)