Struct Unit 

pub struct Unit<'a> { /* private fields */ }

Zero-copy view into a subset of a Model.

Unit holds a reference to a Model and an OrderedSet of selected atom indices. All operations are lazy — iterators do not allocate, and set operations produce new Units without copying coordinate data.

Implementations

impl<'a> Unit<'a>

pub fn from_mask(model: &'a Model, mask: &[bool]) -> Self

Create a Unit from a boolean mask.

The mask must have the same length as model.n_atoms(). Only atoms where mask[i] == true are included.

Panics

Panics if mask.len() != model.n_atoms().

pub fn all(model: &'a Model) -> Self

Create a Unit containing all atoms in the model.

pub fn from_indices(model: &'a Model, indices: OrderedSet) -> Self

Create a Unit from pre-computed indices.

pub fn len(&self) -> usize

Number of selected atoms.

pub fn is_empty(&self) -> bool

Returns true if no atoms are selected.

pub fn model(&self) -> &Model

Reference to the underlying model.

pub fn atom_indices(&self) -> impl Iterator<Item = u32> + '_

Lazy iterator over selected atom indices.

pub fn coords(&self) -> impl Iterator<Item = [f32; 3]> + '_

Lazy iterator over coordinates of selected atoms.

pub fn union(&self, other: &Unit<'a>) -> Self

Union of two units (must reference the same model).

Panics

Panics if the units reference different models.

pub fn intersection(&self, other: &Unit<'a>) -> Self

Intersection of two units (must reference the same model).

Panics

Panics if the units reference different models.

pub fn difference(&self, other: &Unit<'a>) -> Self

Difference of two units: atoms in self but not in other.

Panics

Panics if the units reference different models.

pub fn chain(model: &'a Model, chain_id: &str) -> Option<Self>

Select atoms belonging to a specific chain.

Returns None if the chain doesn’t exist.

pub fn backbone(model: &'a Model) -> Self

Select backbone atoms (N, CA, C, O).

Trait Implementations

impl<'a> Clone for Unit<'a>

fn clone(&self) -> Unit<'a>

Returns a duplicate of the value.

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

Performs copy-assignment from source.