Struct SpectralDatabase 

pub struct SpectralDatabase { /* private fields */ }

In-memory spectral database with similarity search.

Spectra are resampled to a common X grid before comparison.

Implementations

impl SpectralDatabase

pub fn new() -> Self

Create an empty database.

pub fn insert(&mut self, record: SpectrumRecord) -> usize

Insert a spectrum and return its assigned ID.

pub fn get(&self, id: usize) -> Option<&SpectrumRecord>

Retrieve a spectrum by ID.

pub fn remove(&mut self, id: usize) -> bool

Remove a spectrum by ID. Returns true if it was present.

pub fn len(&self) -> usize

Total number of stored spectra.

pub fn is_empty(&self) -> bool

Return true if the database is empty.

pub fn search( &self, query: &SpectrumRecord, metric: SimilarityMetric, top_k: usize, ) -> Vec<SearchResult>

Search for the top_k most similar spectra to query.

Spectra are compared over their raw Y arrays (resampled if needed via resample_to). If the arrays differ in length, the shorter is zero-padded.

pub fn iter(&self) -> impl Iterator<Item = &DatabaseEntry>

Iterate over all entries.

Trait Implementations

impl Debug for SpectralDatabase

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

Formats the value using the given formatter.

impl Default for SpectralDatabase

fn default() -> SpectralDatabase

Returns the “default value” for a type.