Struct StructureBatch 

pub struct StructureBatch { /* private fields */ }

Bounded structure rows in a format-neutral layout.

Implementations

impl StructureBatch

pub fn can_reuse(&self, rows: u32, max_retained_bytes: usize) -> bool

Reports whether this allocation can serve another batch without growing any hot row column or exceeding the next byte demand.

pub const fn descriptor(&self) -> ChunkDescriptor

Stable global identity and local row extent.

pub const fn continuity(&self) -> BatchContinuity

Hierarchy continuation flags.

pub const fn dictionary(&self) -> &Interner

Batch-local identifier dictionary.

pub fn models(&self) -> &[i32]

Deposited model numbers.

pub fn chains(&self) -> &[SymbolId]

Chain identifiers.

pub fn components(&self) -> &[SymbolId]

Component identifiers.

pub fn sequences(&self) -> &[i32]

Deposited sequence numbers, with i32::MIN reserved for absence.

pub fn insertions(&self) -> &[OptionalSymbol]

Insertion codes.

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

Atom identifiers.

pub fn alternates(&self) -> &[AltId]

Alternate-location identifiers.

pub fn elements(&self) -> &[u8]

Atomic numbers.

pub fn positions(&self) -> &[[f32; 3]]

Cartesian positions; missing rows contain NaN.

pub fn coordinate_presence(&self) -> &[Presence]

Position validity.

pub fn occupancies(&self) -> (&[f32], &[Presence])

Occupancy values and validity.

pub fn b_factors(&self) -> (&[f32], &[Presence])

B factors and validity.

pub fn formal_charges(&self) -> (&[i8], &[Presence])

Formal charges and validity.

pub fn atom_site_ids(&self) -> &[u32]

Deposited atom-site identifiers.

pub fn heterogens(&self) -> &[u8]

Per-row heterogen sentinels.

pub fn diagnostics(&self) -> &[Diagnostic]

Diagnostics emitted while producing these logical rows.

Trait Implementations

impl Batch for StructureBatch

fn rows(&self) -> usize

Number of logical rows in this batch.

fn retained_bytes(&self) -> usize

Bytes retained while this batch remains alive.

fn is_empty(&self) -> bool

Reports whether this batch contains no logical rows.

impl Clone for StructureBatch

fn clone(&self) -> Self

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for StructureBatch

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

Formats the value using the given formatter.