occ::io::PeriodicGrid Class Reference

#include <periodic_grid.h>

Collaboration diagram for occ::io::PeriodicGrid:

Public Member Functions
	PeriodicGrid ()
	PeriodicGrid (const PeriodicGrid &other)
PeriodicGrid &	operator= (const PeriodicGrid &other)
void	save_pgrid (const std::string &filename) const
void	save_ggrid (const std::string &filename) const
void	save (const std::string &filename) const
Cube	to_cube () const
const float *	data () const
float *	data ()
const geometry::VolumeGrid &	grid () const
geometry::VolumeGrid &	grid ()
bool	is_periodic () const
bool	is_indexed () const
IVec3	dimensions () const
template<typename F >
void	fill_data_from_function (F &func, const IVec3 &steps)

Static Public Member Functions
static PeriodicGrid	load_pgrid (const std::string &filename)
static PeriodicGrid	load_ggrid (const std::string &filename)
static PeriodicGrid	load (const std::string &filename)
static PeriodicGrid	from_cube (const class Cube &cube, GridFormat format=GridFormat::GeneralGrid)

Public Attributes
std::string	title {"Grid file from OCC"}
GridFormat	format {GridFormat::GeneralGrid}
GridDataType	data_type {GridDataType::Raw}
std::array< float, 6 >	cell_parameters {1.0, 1.0, 1.0, 90.0, 90.0, 90.0}
Vec3	origin {0, 0, 0}
Mat3	basis
std::vector< core::Atom >	atoms
Vec	charges
GridSymmetryInfo	symmetry

Constructor & Destructor Documentation

PeriodicGrid() [1/2]

occ::io::PeriodicGrid::PeriodicGrid

(

)

PeriodicGrid() [2/2]

occ::io::PeriodicGrid::PeriodicGrid

(

const PeriodicGrid &

other

)

Member Function Documentation

data() [1/2]

float * occ::io::PeriodicGrid::data ( )

inline

data() [2/2]

const float * occ::io::PeriodicGrid::data ( ) const

inline

dimensions()

IVec3 occ::io::PeriodicGrid::dimensions

(

)

const

fill_data_from_function()

template<typename F >

void occ::io::PeriodicGrid::fill_data_from_function	(	F &	func,
		const IVec3 &	steps
	)

from_cube()

static PeriodicGrid occ::io::PeriodicGrid::from_cube ( const class Cube &  cube, GridFormat  format = GridFormat::GeneralGrid  )

static

grid() [1/2]

geometry::VolumeGrid & occ::io::PeriodicGrid::grid ( )

inline

grid() [2/2]

const geometry::VolumeGrid & occ::io::PeriodicGrid::grid ( ) const

inline

is_indexed()

bool occ::io::PeriodicGrid::is_indexed ( ) const

inline

is_periodic()

bool occ::io::PeriodicGrid::is_periodic ( ) const

inline

load()

static PeriodicGrid occ::io::PeriodicGrid::load ( const std::string &  filename )

static

load_ggrid()

static PeriodicGrid occ::io::PeriodicGrid::load_ggrid ( const std::string &  filename )

static

load_pgrid()

static PeriodicGrid occ::io::PeriodicGrid::load_pgrid ( const std::string &  filename )

static

operator=()

PeriodicGrid & occ::io::PeriodicGrid::operator=

(

const PeriodicGrid &

other

)

save()

void occ::io::PeriodicGrid::save

(

const std::string &

filename

)

const

save_ggrid()

void occ::io::PeriodicGrid::save_ggrid

(

const std::string &

filename

)

const

save_pgrid()

void occ::io::PeriodicGrid::save_pgrid

(

const std::string &

filename

)

const

to_cube()

Cube occ::io::PeriodicGrid::to_cube

(

)

const

Member Data Documentation

atoms

std::vector<core::Atom> occ::io::PeriodicGrid::atoms

basis

Mat3 occ::io::PeriodicGrid::basis

cell_parameters

std::array<float, 6> occ::io::PeriodicGrid::cell_parameters {1.0, 1.0, 1.0, 90.0, 90.0, 90.0}

charges

Vec occ::io::PeriodicGrid::charges

data_type

GridDataType occ::io::PeriodicGrid::data_type {GridDataType::Raw}

format

GridFormat occ::io::PeriodicGrid::format {GridFormat::GeneralGrid}

origin

Vec3 occ::io::PeriodicGrid::origin {0, 0, 0}

symmetry

GridSymmetryInfo occ::io::PeriodicGrid::symmetry

title

std::string occ::io::PeriodicGrid::title {"Grid file from OCC"}

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

• /home/runner/work/occ/occ/include/occ/io/periodic_grid.h