occ::io::Cube Class Reference

#include <cube.h>

Public Types
using	AtomList = std::vector< core::Atom >

Public Member Functions
	Cube ()
template<typename F >
void	fill_data_from_function (F &func)
void	center_molecule ()
void	write_data_to_file (const std::string &)
void	write_data_to_stream (std::ostream &)

Public Attributes
std::string	name {"cube file from OCC"}
std::string	description {"cube file from OCC"}
Vec3	origin {0, 0, 0}
Mat3	basis
IVec3	steps {11, 11, 11}
AtomList	atoms
Vec	charges
Vec	data

Member Typedef Documentation

AtomList

using occ::io::Cube::AtomList = std::vector<core::Atom>

Constructor & Destructor Documentation

Cube()

occ::io::Cube::Cube

(

)

Member Function Documentation

center_molecule()

void occ::io::Cube::center_molecule

(

)

fill_data_from_function()

template<typename F >

void occ::io::Cube::fill_data_from_function ( F &  func )

inline

write_data_to_file()

void occ::io::Cube::write_data_to_file

(

const std::string &

)

write_data_to_stream()

void occ::io::Cube::write_data_to_stream

(

std::ostream &

)

Member Data Documentation

atoms

AtomList occ::io::Cube::atoms

basis

Mat3 occ::io::Cube::basis

charges

Vec occ::io::Cube::charges

data

Vec occ::io::Cube::data

description

std::string occ::io::Cube::description {"cube file from OCC"}

name

std::string occ::io::Cube::name {"cube file from OCC"}

origin

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

steps

IVec3 occ::io::Cube::steps {11, 11, 11}

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

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