Struct AtomChunk 

pub struct AtomChunk { /* private fields */ }

A contiguous run of atoms, stored column by column.

Implementations

impl AtomChunk

pub fn len(&self) -> u32

The number of atoms.

pub fn is_empty(&self) -> bool

Returns true when the chunk holds no atoms.

pub fn atoms(&self) -> Range<u32>

The atoms this chunk covers, in the structure’s flat order.

This is also the range of the coordinate buffer that belongs to it.

pub const fn stats(&self) -> &AtomChunkStats

What the chunk can say about itself without being read.

pub const fn model(&self) -> u32

The model every atom in this chunk belongs to.

pub fn positions<'a>( &self, coords: &'a CoordinateBlock, ) -> Option<&'a [[f32; 3]]>

The positions of this chunk’s atoms, borrowed from the frame’s buffer.

pub fn element(&self, local: u32) -> Option<Element>

The element of the atom at local.

pub fn atom_name(&self, local: u32) -> Option<SymbolId>

The normalised name of the atom at local.

pub fn atom_names_plain(&self) -> Option<&[SymbolId]>

Plain backing storage for atom names, when no decode is required.

pub fn auth_atom_name(&self, local: u32) -> Option<SymbolId>

The depositor’s name for the atom at local, where the file carried one.

pub fn alternate_component_id(&self, local: u32) -> Option<SymbolId>

The atom-specific component identity, where it differs from its residue.

pub fn alt_id(&self, local: u32) -> Option<AltId>

The alternate-location label of the atom at local.

pub fn residue( &self, local: u32, residues: &ResidueTable, ) -> Option<ResidueIndex>

The residue of the atom at local.

pub fn occupancy(&self, local: u32) -> Option<(f32, Presence)>

The occupancy of the atom at local, and whether it was recorded.

pub const fn occupancy_validity(&self) -> &ValidityMask

Which occupancies were recorded.

pub fn occupancies_plain(&self) -> Option<&[f32]>

Plain backing storage for occupancies, when no decode is required.

pub fn b_factor(&self, local: u32) -> Option<(f32, Presence)>

The temperature factor of the atom at local, and whether it was recorded.

pub const fn b_factor_validity(&self) -> &ValidityMask

Which temperature factors were recorded.

pub fn b_factors_plain(&self) -> Option<&[f32]>

Plain backing storage for temperature factors, when no decode is required.

pub fn formal_charge(&self, local: u32) -> Option<(i8, Presence)>

The formal charge of the atom at local, and whether it was recorded.

pub fn atom_site_id(&self, local: u32) -> Option<u32>

The file-local serial number of the atom at local.

pub fn has_position(&self, local: u32) -> bool

Whether the position of the atom at local was recorded.

pub fn record( &self, local: u32, residues: &ResidueTable, position: Option<[f32; 3]>, ) -> Option<AtomRecord>

Reconstructs one logical row without changing its encoded storage.

Editors use this only when a structural change requires rebuilding atom ordinals. Ordinary reads stay columnar and never materialise records.

Trait Implementations

impl Clone for AtomChunk

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 AtomChunk

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

Formats the value using the given formatter.