Struct vegas_lattice::Lattice

pub struct Lattice { /* private fields */ }

A lattice is a collection of sites and vertices.

For now it only supports rectangular lattices. This is Orthorombic, Tetragonal and Cubic Bravais lattices. We assume the lattice vectors are aligned with the cartesian axes. While you can choose the lattice parameters a, b, and c to be different.

Implementations

impl Lattice

pub fn new(size: (f64, f64, f64)) -> Self

Create a new lattice with the given size

pub fn sc(a: f64) -> Self

Create a simple cubic lattice with the given size a

pub fn bcc(a: f64) -> Self

Create a body centered cubic lattice with the given size a

pub fn size(&self) -> (f64, f64, f64)

Get the size of the lattice

pub fn sites(&self) -> &[Site]

Get the sites of the lattice

pub fn vertices(&self) -> &[Vertex]

Get the vertices of the lattice

pub fn size_along(&self, axis: Axis) -> f64

Returns the size of the lattice along the given axis

pub fn with_size(self, size: (f64, f64, f64)) -> Self

Changes the size of the lattice

pub fn with_sites(self, sites: Vec<Site>) -> Self

Changes the sites of the lattice

pub fn with_vertices(self, vertices: Vec<Vertex>) -> Self

Changes the vertices of the lattice

pub fn validate(self) -> Result<Self, LatticeError>

Validates the lattice

pub fn drop(self, axis: Axis) -> Self

Drops all the vertices that are periodic along the given axis

pub fn expand_along(self, axis: Axis, amount: usize) -> Self

Expands the lattice along the given axis

pub fn apply_mask(self, mask: Mask) -> Self

Removes sites from the lattice according to the given mask

TODO: This only removes points in the xy plane, and it should be generalized

pub fn alloy_sites(self, source: &str, target: Alloy) -> Self

Replaces the sites labeled as source with sites in the target alloy

Trait Implementations

impl Debug for Lattice

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for Lattice

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl FromStr for Lattice

type Err = LatticeError

The associated error which can be returned from parsing.

fn from_str(source: &str) -> Result<Lattice, Self::Err>

Parses a string s to return a value of this type.

impl Serialize for Lattice

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.