ira Namespace Reference

Classes
struct	Match
struct	PointGroup

Functions
bool	available ()
int	match (const Eigen::MatrixXd &ref, const Eigen::MatrixXd &target, Match &out, double kmaxFactor=1.8)
int	pointGroup (const Eigen::MatrixXd &coords, PointGroup &out, double symThr=0.05)
bool	orient (const Eigen::MatrixXd &ref, const Eigen::MatrixXd &target, std::vector< double > &quat, double &rmsd)

Function Documentation

available()

bool ira::available

(

)

match()

int ira::match ( const Eigen::MatrixXd & ref, const Eigen::MatrixXd & target, Match & out, double kmaxFactor = 1.8 )

nodiscard

orient()

bool ira::orient	(	const Eigen::MatrixXd &	ref,
		const Eigen::MatrixXd &	target,
		std::vector< double > &	quat,
		double &	rmsd )

pointGroup()

int ira::pointGroup ( const Eigen::MatrixXd & coords, PointGroup & out, double symThr = 0.05 )

nodiscard