absOrientation.hpp File Reference

#include <algorithm>
#include <array>
#include <fstream>
#include <iostream>
#include <iterator>
#include <cmath>
#include <memory>
#include <sstream>
#include <string>
#include <vector>
#include <Eigen/Core>
#include <Eigen/Dense>
#include <Eigen/Eigenvalues>
#include <mol_sys.hpp>
#include <ring.hpp>
#include <seams_input.hpp>
#include <seams_output.hpp>

Go to the source code of this file.

Namespaces
namespace	absor

Functions
int	absor::hornAbsOrientation (const Eigen::MatrixXd &refPoints, const Eigen::MatrixXd &targetPoints, std::vector< double > &quat, double &rmsd, std::vector< double > &rmsdList, double &scale)
	Get the absolute orientation using Horn's algorithm (with quaternions).
Eigen::MatrixXd	absor::calcMatrixS (const Eigen::MatrixXd &centeredRefPnts, const Eigen::MatrixXd &centeredTargetPnts, int nop, int dim)
Eigen::MatrixXd	absor::calcMatrixN (const Eigen::MatrixXd &S)
Eigen::MatrixXd	absor::centerWRTcentroid (const Eigen::MatrixXd &pointSet)
	Center a point set wrt the centroid.
double	absor::calcScaleFactor (const Eigen::MatrixXd &rightSys, const Eigen::MatrixXd &leftSys, int n)
	Calculate the scale factor from the centered left and right point sets.
Eigen::MatrixXd	absor::quat2RotMatrix (const Eigen::VectorXd &quat)
	Get a rotation matrix from a unit quaternion.
double	absor::getRMSD (const Eigen::MatrixXd &centeredRefPnts, const Eigen::MatrixXd &centeredTargetPnts, const Eigen::VectorXd &quat, std::vector< double > &rmsdList, int nop, double scale)
	Calculate the RMSD.