Struct grafen::surface::Sheet

pub struct Sheet {
    pub name: Option<String>,
    pub residue: Option<Residue>,
    pub lattice: LatticeType,
    pub std_z: Option<f64>,
    pub origin: Coord,
    pub normal: Direction,
    pub length: f64,
    pub width: f64,
    pub coords: Vec<Coord>,
}

A rectangular sheet.

Fields

name: Option<String>

Name of component.

residue: Option<Residue>

Optional residue placed at each coordinate. If not set the sheet describes a general collection of coordinates.

lattice: LatticeType

Lattice type used to construct the surface structure.

std_z: Option<f64>

Standard deviation along z of coordinates. Added to the coordinates when construct is called.

origin: Coord

Origin of the sheet. Located in the lower-left position of it.

normal: Direction

Normal vector of the sheet.

length: f64

Length of the sheet along the x axis.

width: f64

Length of the sheet along the y axis.

coords: Vec<Coord>

List of coordinates belonging to the sheet. Relative to the `origin.

Methods

impl Sheet

fn construct(self) -> Result<Sheet>

Construct the sheet coordinates and return the object.

Errors

Returns an error if either the length or width is non-positive.

fn to_circle(&self, radius: f64) -> Circle

Cut a circle out of coordinates in the sheet.

Trait Implementations

impl<'a> Component<'a> for Sheet

fn box_size(&self) -> Coord

Return the size of the object's bounding box seen from origo.

fn iter_atoms(&self) -> AtomIterItem

Return an Iterator over all atoms in the object as CurrentAtom objects.

fn num_atoms(&self) -> u64

Return the number of atoms in the object.

fn with_pbc(self) -> Self

Return the component with its coordinates adjusted to lie within its box.

impl Translate for Sheet

fn translate(self, coord: Coord) -> Self

Translate the object by an input Coord.

fn translate_in_place(&mut self, coord: Coord)

Translate the object by an input Coord in-place.

impl Clone for Sheet

fn clone(&self) -> Sheet

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for Sheet

fn fmt(&self, __arg_0: &mut Formatter) -> Result

Formats the value using the given formatter.

impl Describe for Sheet

fn describe(&self) -> String

Return a descriptive String of the object.

fn describe_short(&self) -> String

Return a very short descriptive String of the object. Typically just a name or type.

impl Periodic for Sheet

fn pbc_multiply(&self, nx: usize, ny: usize, _: usize) -> Sheet

Clone sheet coordinates into PBC multiples.