seams::domain Namespace Reference

Classes
struct	Share
	One rank's share of a frame. More...
struct	RingSummary
	What the ring analyses read off a frame's primitive rings. More...

Typedefs
using	Cloud = molSys::PointCloud<molSys::Point<double>, double>

Functions
RingSummary	summarize (const std::vector< std::vector< int > > &ringList, int nAtoms, int maxDepth)
	The summary of ringList over a frame of nAtoms atoms.
std::uint64_t	hilbertKey (std::uint32_t x, std::uint32_t y, std::uint32_t z, int bits)
	Position of cell (x, y, z) along the Hilbert curve over a 2^bits grid.
Share	decompose (const Cloud &cloud, int rank, int nRanks, double halo)
Cloud	subCloud (const Cloud &cloud, const std::vector< int > &atoms)
	The listed atoms of cloud, in that order, in the same box.
std::vector< std::vector< int > >	rings (const Cloud &cloud, double cutoff, int maxDepth, int rank, int nRanks)

Typedef Documentation

Cloud

using seams::domain::Cloud = molSys::PointCloud<molSys::Point<double>, double>

Definition at line 27 of file domain.hpp.

Function Documentation

decompose()

Share seams::domain::decompose	(	const Cloud &	cloud,
		int	rank,
		int	nRanks,
		double	halo )

The atoms rank rank of nRanks owns, and every atom within halo of one of them. Without a periodic box rank 0 owns every atom.

hilbertKey()

std::uint64_t seams::domain::hilbertKey	(	std::uint32_t	x,
		std::uint32_t	y,
		std::uint32_t	z,
		int	bits )

Position of cell (x, y, z) along the Hilbert curve over a 2^bits grid.

rings()

std::vector< std::vector< int > > seams::domain::rings	(	const Cloud &	cloud,
		double	cutoff,
		int	maxDepth,
		int	rank,
		int	nRanks )

Primitive rings of the cutoff graph up to maxDepth members whose lowest-indexed member rank rank owns, by frame index, as primitive::ringNetwork lists them for the graph with ascending rows. Each rank needs only its share, and the ranks' rings partition the frame's.

subCloud()

Cloud seams::domain::subCloud	(	const Cloud &	cloud,
		const std::vector< int > &	atoms )

The listed atoms of cloud, in that order, in the same box.

summarize()

RingSummary seams::domain::summarize	(	const std::vector< std::vector< int > > &	ringList,
		int	nAtoms,
		int	maxDepth )

The summary of ringList over a frame of nAtoms atoms.