Struct PreparedStructuralSpectrum 

pub struct PreparedStructuralSpectrum { /* private fields */ }

Reusable native fixed-wavelength spectrum for one structural phase.

Implementations

impl PreparedStructuralSpectrum

pub fn new( definition: &StructuralPhaseDefinition, wavelengths_angstrom: Vec<f64>, relative_intensities: &[f64], execution: ExecutionPolicy, ) -> Result<Self, StructuralSpectrumError>

Prepare every wavelength component from one base structural phase.

Relative intensities are normalized to unit sum and multiply the base phase scale. All prepared components share the policy’s persistent pool.

Errors

Returns StructuralSpectrumError for invalid component arrays or an invalid structural phase.

pub fn component_count(&self) -> usize

Return the number of prepared wavelength components.

pub fn normalized_weights(&self) -> &[f64]

Return normalized component weights in input order.

pub fn structural_parameter_count(&self) -> usize

Return the structural parameter count shared by all components.

pub fn calculate( &self, input: &PreparedStructuralSpectrumInputView<'_>, ) -> Result<StructuralPatternResult, StructuralSpectrumError>

Calculate and combine all fixed wavelength components.

Errors

Returns StructuralSpectrumError for invalid dynamic inputs or a failed component calculation.

pub fn linearize( &self, input: &PreparedStructuralSpectrumInputView<'_>, ) -> Result<StructuralPatternDenseResult, StructuralSpectrumError>

Calculate and combine dense structural linearizations.

Errors

Returns StructuralSpectrumError for invalid inputs or incompatible component layouts.

pub fn jvp( &self, input: &PreparedStructuralSpectrumInputView<'_>, tangent: &[f64], ) -> Result<StructuralPatternJvpResult, StructuralSpectrumError>

Calculate and combine structural forward derivative products.

Errors

Returns StructuralSpectrumError for invalid inputs or tangent shape.

pub fn vjp( &self, input: &PreparedStructuralSpectrumInputView<'_>, sample_weights: &[f64], ) -> Result<StructuralPatternVjpResult, StructuralSpectrumError>

Calculate and combine structural transpose products.

Errors

Returns StructuralSpectrumError for invalid inputs or sample weights.

Trait Implementations

impl Clone for PreparedStructuralSpectrum

fn clone(&self) -> PreparedStructuralSpectrum

Returns a duplicate of the value.

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

Performs copy-assignment from source.