Struct RietveldInput 

pub struct RietveldInput {
    pub pattern: PatternRecord,
    pub instrument: ConstantWavelengthInstrument,
    pub fixed_spectrum: Option<FixedWavelengthSpectrum>,
    pub axial_geometry: Option<FcjGeometry>,
    pub position_correction: MonochromaticPositionCorrection,
    pub background: Option<BackgroundModel>,
    pub phases: Vec<RietveldPhase>,
}

Observations, experiment state, and ordered structural phases.

Fields

pattern: PatternRecord

Observed pattern and fixed supplied background.

instrument: ConstantWavelengthInstrument

Monochromatic constant-wavelength profile.

fixed_spectrum: Option<FixedWavelengthSpectrum>

Optional fixed spectrum; absent means a monochromatic calculation.

axial_geometry: Option<FcjGeometry>

Optional Finger–Cox–Jephcoat axial-divergence geometry.

position_correction: MonochromaticPositionCorrection

Explicit instrument/sample position correction.

background: Option<BackgroundModel>

Optional differentiable background added to the pattern’s fixed values.

phases: Vec<RietveldPhase>

Ordered non-empty built-in structural phases.

Implementations

impl RietveldInput

pub fn new( pattern: PatternRecord, instrument: ConstantWavelengthInstrument, axial_geometry: Option<FcjGeometry>, position_correction: MonochromaticPositionCorrection, phases: Vec<RietveldPhase>, ) -> Result<Self, RietveldError>

Validate one native monochromatic Rietveld calculation request.

Errors

Returns RietveldError for invalid observations, experiment state, phase state, or duplicate phase IDs.

pub fn new_fixed_spectrum( pattern: PatternRecord, instrument: ConstantWavelengthInstrument, spectrum: FixedWavelengthSpectrum, axial_geometry: Option<FcjGeometry>, position_correction: MonochromaticPositionCorrection, phases: Vec<RietveldPhase>, ) -> Result<Self, RietveldError>

Validate one native fixed-wavelength-spectrum Rietveld request.

The instrument wavelength must equal the spectrum’s first, reference component. Structural lattice/topology refinement remains restricted to monochromatic inputs.

Errors

Returns RietveldError for invalid observations, spectrum, experiment geometry, or structural phases.

pub fn new_with_background( pattern: PatternRecord, instrument: ConstantWavelengthInstrument, axial_geometry: Option<FcjGeometry>, position_correction: MonochromaticPositionCorrection, background: BackgroundModel, phases: Vec<RietveldPhase>, ) -> Result<Self, RietveldError>

Validate a request with an additional native analytical background.

Errors

Returns RietveldError for invalid observations, experiment state, background state, or phase state.

pub fn new_fixed_spectrum_with_background( pattern: PatternRecord, instrument: ConstantWavelengthInstrument, spectrum: FixedWavelengthSpectrum, axial_geometry: Option<FcjGeometry>, position_correction: MonochromaticPositionCorrection, background: BackgroundModel, phases: Vec<RietveldPhase>, ) -> Result<Self, RietveldError>

Validate a fixed-spectrum request with an analytical background.

Errors

Returns RietveldError for invalid observations, spectrum, background, experiment geometry, or structural phases.

pub fn validate(&self) -> Result<(), RietveldError>

Revalidate an adapter-decoded complete calculation request.

Errors

Returns RietveldError for invalid observations, experiment state, background state, or phase state.

Trait Implementations

impl Clone for RietveldInput

fn clone(&self) -> RietveldInput

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for RietveldInput

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

Formats the value using the given formatter.

impl PartialEq for RietveldInput

fn eq(&self, other: &RietveldInput) -> bool

Equality operator ==.

fn ne(&self, other: &Rhs) -> bool

Inequality operator !=.

impl StructuralPartialEq for RietveldInput