absor Namespace Reference

Functions
int	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	calcMatrixS (const Eigen::MatrixXd &centeredRefPnts, const Eigen::MatrixXd &centeredTargetPnts, int nop, int dim)
Eigen::MatrixXd	calcMatrixN (const Eigen::MatrixXd &S)
Eigen::MatrixXd	centerWRTcentroid (const Eigen::MatrixXd &pointSet)
	Center a point set wrt the centroid.
double	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	quat2RotMatrix (const Eigen::VectorXd &quat)
	Get a rotation matrix from a unit quaternion.
double	getRMSD (const Eigen::MatrixXd &centeredRefPnts, const Eigen::MatrixXd &centeredTargetPnts, const Eigen::VectorXd &quat, std::vector< double > &rmsdList, int nop, double scale)
	Calculate the RMSD.

Function Documentation

calcMatrixN()

Eigen::MatrixXd absor::calcMatrixN

(

const Eigen::MatrixXd &

S

)

Compute the matrix N, a 4x4 symmetric matrix, by combining sums (saved as elements in the matrix S)

calcMatrixS()

Eigen::MatrixXd absor::calcMatrixS	(	const Eigen::MatrixXd &	centeredRefPnts,
		const Eigen::MatrixXd &	centeredTargetPnts,
		int	nop,
		int	dim )

Compute the matrix S, or M, whose elements are the sums of products of coordinates measured in the left and right systems

calcScaleFactor()

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.

centerWRTcentroid()

Eigen::MatrixXd absor::centerWRTcentroid

(

const Eigen::MatrixXd &

pointSet

)

Center a point set wrt the centroid.

getRMSD()

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.

hornAbsOrientation()

int absor::hornAbsOrientation ( const Eigen::MatrixXd & refPoints, const Eigen::MatrixXd & targetPoints, std::vector< double > & quat, double & rmsd, std::vector< double > & rmsdList, double & scale )

nodiscard

Get the absolute orientation using Horn's algorithm (with quaternions).

quat2RotMatrix()

Eigen::MatrixXd absor::quat2RotMatrix

(

const Eigen::VectorXd &

quat

)

Get a rotation matrix from a unit quaternion.