match Namespace Reference

Functions
bool	matchPrism (const molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList, const Eigen::MatrixXd &refPoints, std::vector< int > &basal1, std::vector< int > &basal2, std::vector< double > &rmsdPerAtom, bool isPerfect=true)
bool	matchUntetheredPrism (const molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList, const Eigen::MatrixXd &refPoints, std::vector< int > &basal1, std::vector< int > &basal2, std::vector< double > &rmsdPerAtom)
bool	matchPrismBlock (const molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList, const Eigen::MatrixXd &refPoints, std::vector< int > &basal1, std::vector< int > &basal2, int &beginIndex)
int	updatePerAtomRMSDRing (const std::vector< int > &basalRing, int startingIndex, const std::vector< double > &rmsdFromMatch, std::vector< double > &rmsdPerAtom)
	Update the per-particle RMSD for a prism block basal ring.
int	updateRMSDRing (const std::vector< int > &basalRing, int startingIndex, double rmsdVal, std::vector< double > &rmsdPerAtom)

Function Documentation

matchPrism()

bool match::matchPrism	(	const molSys::PointCloud< molSys::Point< double >, double > &	yCloud,
		const std::vector< std::vector< int > > &	nList,
		const Eigen::MatrixXd &	refPoints,
		std::vector< int > &	basal1,
		std::vector< int > &	basal2,
		std::vector< double > &	rmsdPerAtom,
		bool	isPerfect = true )

Shape-matching for a pair of polygon basal rings. Returns true if the pair of basal rings form a prism block.

matchPrismBlock()

bool match::matchPrismBlock	(	const molSys::PointCloud< molSys::Point< double >, double > &	yCloud,
		const std::vector< std::vector< int > > &	nList,
		const Eigen::MatrixXd &	refPoints,
		std::vector< int > &	basal1,
		std::vector< int > &	basal2,
		int &	beginIndex )

Shape-matching for a pair of polygon basal rings, comparing with a complete prism block. Returns true if the pair of basal rings form a prism block.

matchUntetheredPrism()

bool match::matchUntetheredPrism	(	const molSys::PointCloud< molSys::Point< double >, double > &	yCloud,
		const std::vector< std::vector< int > > &	nList,
		const Eigen::MatrixXd &	refPoints,
		std::vector< int > &	basal1,
		std::vector< int > &	basal2,
		std::vector< double > &	rmsdPerAtom )

Shape-matching for a pair of polygon basal rings. Returns true if the pair of basal rings form a prism block.

updatePerAtomRMSDRing()

int match::updatePerAtomRMSDRing ( const std::vector< int > & basalRing, int startingIndex, const std::vector< double > & rmsdFromMatch, std::vector< double > & rmsdPerAtom )

nodiscard

Update the per-particle RMSD for a prism block basal ring.

updateRMSDRing()

int match::updateRMSDRing ( const std::vector< int > & basalRing, int startingIndex, double rmsdVal, std::vector< double > & rmsdPerAtom )

nodiscard

Update the RMSD of each particle in a prism block basal ring with the RMSD of the ring.