Struct chemrust_core::data::lattice::BasicLatticeModel

pub struct BasicLatticeModel { /* private fields */ }

Implementations

impl BasicLatticeModel

pub fn new(lattice_vectors: &Option<LatticeVectors>, atoms: &[Atom]) -> Self

pub fn number_of_atoms(&self) -> usize

pub fn lattice_vectors(&self) -> Option<&LatticeVectors>

pub fn atoms(&self) -> &[Atom]

pub fn atoms_mut(&mut self) -> &mut Vec<Atom>

pub fn append_atom(&mut self, atoms: &mut Vec<Atom>)

pub fn lattice_vectors_mut(&mut self) -> &mut Option<LatticeVectors>

pub fn set_lattice_vectors(&mut self, lattice_vectors: Option<LatticeVectors>)

pub fn set_atoms(&mut self, atoms: Vec<Atom>)

pub fn element_list(&self) -> Vec<String>

pub fn xyz_range_filter( &self, x_range: FractionalCoordRange, y_range: FractionalCoordRange, z_range: FractionalCoordRange ) -> Vec<Atom>

Select atoms by the given ranges of x, y, z in fractional coordinates

Trait Implementations

impl Clone for BasicLatticeModel

fn clone(&self) -> BasicLatticeModel

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for BasicLatticeModel

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

Formats the value using the given formatter.

impl Display for BasicLatticeModel

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

Formats the value using the given formatter.