Function spglib::hall_number_from_symmetry

pub fn hall_number_from_symmetry(
    rotations: &mut [[[i32; 3]; 3]], 
    translations: &mut [[f64; 3]], 
    symprec: f64
) -> i32

Returns the hall number for a set of symmetry operations.

Example

Get the hall number for a BCC cell in a roundabout way.

use spglib::hall_number_from_symmetry;
use spglib::cell::Cell;
use spglib::dataset::Dataset;

let lattice = [
    [4.0, 0.0, 0.0],
    [0.0, 4.0, 0.0],
    [0.0, 0.0, 4.0]
];
let positions = [
    [0.0, 0.0, 0.0],
    [0.5, 0.5, 0.5]
];
let types = [1, 1];
let mut cell = Cell::new(&lattice, &positions, &types);
let mut dataset = Dataset::new(&mut cell, 1.0e-6);
let hall_number = hall_number_from_symmetry(&mut dataset.rotations, &mut dataset.translations, 1.0e-6);
assert_eq!(hall_number, dataset.hall_number);