Struct spglib::spacegroup::Spacegroup

pub struct Spacegroup {
    pub number: i32,
    pub international_short: String,
    pub international_full: String,
    pub international: String,
    pub schoenflies: String,
    pub hall_symbol: String,
    pub choice: String,
    pub pointgroup_international: String,
    pub pointgroup_schoenflies: String,
    pub arithmetic_crystal_class_number: i32,
    pub arithmetic_crystal_class_symbol: String,
}

Container for a spacegroup's properties

Fields

number: i32

Space group number as defined in the International Tables for Crystallography.

international_short: String

Abbreviated Hermann-Mauguin notation spacegroup symbol.

international_full: String

Full Hermann-Mauguin notation spacegroup symbol.

international: String

Full Hermann-Mauguin notation spacegroup symbol.

schoenflies: String

Schoenflies notation spacegroup symbol.

hall_symbol: String

Hall symbol.

choice: String

Information on unique axis, settings, or cell choices.

pointgroup_international: String

Full Hermann-Mauguin notation pointgroup symbol.

pointgroup_schoenflies: String

Schoenflies notation pointgroup symbol.

arithmetic_crystal_class_number: i32

Arithmetic notation crystal class number.

arithmetic_crystal_class_symbol: String

Arithmetic notation crystal class symbol.

Implementations

impl Spacegroup

pub fn from_hall_number(hall_number: i32) -> Spacegroup

Returns a spacegroup initialized by hall number

Example

Get the spacegroup for a BCC cell (hall number 529).

use spglib::spacegroup::Spacegroup;

let group = Spacegroup::from_hall_number(529);
assert_eq!("Im-3m", group.international_short);

Trait Implementations

impl Clone for Spacegroup

fn clone(&self) -> Spacegroup

Returns a copy of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for Spacegroup

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl TryFrom<SpglibSpacegroupType> for Spacegroup

type Error = SpglibError

The type returned in the event of a conversion error.

fn try_from(value: SpglibSpacegroupType) -> Result<Self, Self::Error>

Performs the conversion.