Struct UnitCell 

pub struct UnitCell {
    pub cell_type: CellType,
    /* private fields */
}

Fields

cell_type: CellType

Implementations

impl UnitCell

pub fn new_none() -> Self

pub fn new_orthorhombic(size: DVec3) -> Self

pub fn new_triclinic(matrix: DMat3) -> Self

pub fn distance_vector(&self, p1: DVec3, p2: DVec3) -> DVec3

Returns the shortest displacement vector from p2 to p1 considering PBC.

pub fn matrix(&self) -> DMat3

pub fn wrap_vector(&self, p: DVec3) -> DVec3

Wraps a position vector back into the primary cell unit.

Trait Implementations

impl Clone for UnitCell

fn clone(&self) -> UnitCell

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for UnitCell

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

Formats the value using the given formatter.