Struct StructureEditor 

pub struct StructureEditor { /* private fields */ }

A private copy-on-write snapshot that becomes visible only on commit.

Implementations

impl StructureEditor

pub fn set_annotation( &mut self, name: &str, column: AtomAnnotation, ) -> Result<(), Diagnostic>

Adds or replaces a typed per-atom annotation column.

Errors

Returns a diagnostic when the name is empty or the column length differs from the structure’s atom count.

pub fn remove_annotation(&mut self, name: &str) -> bool

Removes a custom annotation, returning whether it existed.

pub fn clear_extensions(&mut self)

Explicitly discards domain extensions before a topology-changing edit.

pub fn rename_chain( &mut self, chain: ChainIndex, label: &str, ) -> Result<(), Diagnostic>

Renames a chain in both identifier namespaces.

Errors

Returns a diagnostic when the chain does not exist, the new label is empty, or the bounded identifier dictionary cannot accept it.

pub fn transform<F>( &mut self, selection: &AtomSelection, transform: F, ) -> Result<(), Diagnostic>

where F: Fn([f32; 3]) -> [f32; 3],

Applies one coordinate transform to selected atoms in every dense frame.

Errors

Returns a diagnostic for an out-of-range atom, a non-finite result, or a ragged ensemble whose models must be edited as independent snapshots.

pub fn delete_atoms( &mut self, selection: &AtomSelection, ) -> Result<(), Diagnostic>

Deletes selected atom rows and remaps residues, coordinates and bonds.

Errors

Returns a diagnostic for an out-of-range atom or a ragged ensemble.

pub fn commit(self) -> Result<Structure, Vec<Diagnostic>>

Validates and publishes the edited snapshot.

Errors

Returns every violated structural invariant. The original structure is unaffected whether commit succeeds or fails.

Trait Implementations

impl Debug for StructureEditor

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

Formats the value using the given formatter.