occ::crystal::SiteMappingTable Class Reference

#include <site_mapping_table.h>

Public Member Functions
std::vector< SiteMappingEdge >	get_edges (size_t source, size_t target) const
std::optional< size_t >	get_target (size_t source, int symop, const HKL &offset) const
std::optional< std::pair< size_t, HKL > >	get_target_and_offset (size_t source, int symop) const
std::vector< size_t >	get_neighbors (size_t source) const
std::vector< std::pair< int, HKL > >	get_symmetry_operations (size_t source) const
size_t	size () const

Static Public Member Functions
static SiteMappingTable	build_atom_table (const Crystal &)
static SiteMappingTable	build_molecule_table (const Crystal &)

Member Function Documentation

build_atom_table()

static SiteMappingTable occ::crystal::SiteMappingTable::build_atom_table ( const Crystal &  )

static

build_molecule_table()

static SiteMappingTable occ::crystal::SiteMappingTable::build_molecule_table ( const Crystal &  )

static

get_edges()

std::vector< SiteMappingEdge > occ::crystal::SiteMappingTable::get_edges	(	size_t	source,
		size_t	target
	)		const

get_neighbors()

std::vector< size_t > occ::crystal::SiteMappingTable::get_neighbors

(

size_t

source

)

const

get_symmetry_operations()

std::vector< std::pair< int, HKL > > occ::crystal::SiteMappingTable::get_symmetry_operations

(

size_t

source

)

const

get_target()

std::optional< size_t > occ::crystal::SiteMappingTable::get_target	(	size_t	source,
		int	symop,
		const HKL &	offset
	)		const

get_target_and_offset()

std::optional< std::pair< size_t, HKL > > occ::crystal::SiteMappingTable::get_target_and_offset	(	size_t	source,
		int	symop
	)		const

size()

size_t occ::crystal::SiteMappingTable::size

(

)

const

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The documentation for this class was generated from the following file:

• /home/runner/work/occ/occ/include/occ/crystal/site_mapping_table.h