Struct ChainTable 

pub struct ChainTable { /* private fields */ }

The chain table.

Implementations

impl ChainTable

pub fn len(&self) -> usize

The number of chains.

pub fn is_empty(&self) -> bool

Returns true when the structure has no chains.

pub fn push( &mut self, record: ChainRecord, residues: Range<u32>, ) -> Result<ChainIndex, TableError>

Appends a chain covering a range of residues.

Errors

Returns TableError for a reversed range or exhausted index space.

pub fn residues(&self, chain: ChainIndex) -> Option<Range<u32>>

The residues this chain contains.

pub fn containing(&self, residue: u32) -> Option<ChainIndex>

Finds the chain whose contiguous range contains residue.

Chain ranges are ordered, so this is logarithmic in the chain count.

Panics

Panics only if the table exceeds the core’s u32 position limit.

pub fn label_asym_id(&self, chain: ChainIndex) -> Option<SymbolId>

The normalised chain label.

pub fn auth_asym_id(&self, chain: ChainIndex) -> Option<SymbolId>

The depositor’s chain label, if the file carried one.

pub fn rename( &mut self, chain: ChainIndex, label: SymbolId, ) -> Result<(), TableError>

Replaces both chain namespaces with one explicit label.

Renaming both prevents a writer from silently preferring the old depositor label over the requested new normalised label.

Errors

Returns TableError when chain is absent.

pub fn relabel( &mut self, chain: ChainIndex, label: SymbolId, ) -> Result<(), TableError>

Replaces the normalised label only, leaving the depositor label alone.

Errors

Returns TableError when chain is absent.

pub fn entity(&self, chain: ChainIndex) -> Option<EntityIndex>

The species this chain instantiates.

pub fn polymer_kind(&self, chain: ChainIndex) -> Option<PolymerKind>

What kind of polymer this chain is.

pub fn set_polymer_kind( &mut self, chain: ChainIndex, kind: PolymerKind, ) -> Result<(), TableError>

Reclassifies a chain after component chemistry has been resolved.

Errors

Returns TableError when chain is absent.

pub fn instances_of( &self, entity: EntityIndex, ) -> impl Iterator<Item = ChainIndex> + '_

Every chain that instantiates entity.

This is the copies-of-the-same-molecule question, answered by reading a column rather than by comparing sequences.

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

Every chain position.

Trait Implementations

impl Clone for ChainTable

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 ChainTable

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

Formats the value using the given formatter.

impl Default for ChainTable

fn default() -> Self

Returns the “default value” for a type.