Crate phasesmith_engine 

Native composition boundary for crystallography and powder profiles.

Structural pattern fusion is added in implementation unit 15. Re-exports keep PyO3 dependent on this facade rather than placing orchestration in the binding crate.

Re-exports

pub use structural_pattern::BuiltInScatteringModel;

pub use structural_pattern::MonochromaticPositionCorrection;

pub use structural_pattern::MonochromaticReflectionGeometry;

pub use structural_pattern::StructuralPatternDenseResult;

pub use structural_pattern::StructuralPatternError;

pub use structural_pattern::StructuralPatternInputView;

pub use structural_pattern::StructuralPatternJvpResult;

pub use structural_pattern::StructuralPatternResult;

pub use structural_pattern::StructuralPatternVjpResult;

pub use structural_pattern::calculate_monochromatic_reflection_geometry;

pub use structural_pattern::calculate_structural_pattern;

pub use structural_pattern::calculate_structural_pattern_dense;

pub use structural_pattern::calculate_structural_pattern_dense_with_context;

pub use structural_pattern::calculate_structural_pattern_jvp;

pub use structural_pattern::calculate_structural_pattern_jvp_with_context;

pub use structural_pattern::calculate_structural_pattern_vjp;

pub use structural_pattern::calculate_structural_pattern_vjp_with_context;

pub use structural_pattern::calculate_structural_pattern_with_context;

pub use phasesmith_core as profile;

pub use phasesmith_crystallography as crystallography;

Modules

structural_pattern

Fused built-in scattering, structural intensity, and CW profile composition.

Structs

PreparedStructuralModelInputView

Borrowed dynamic data for one phase model in a multiphase operation.

PreparedStructuralMultiphase

Reusable native scheduler for ordered structural phase models.

PreparedStructuralPatternInputView

Borrowed experiment and sample-physics data for evaluating a prepared phase.

PreparedStructuralPhase

Reusable, application-neutral structural phase with an owned worker budget.

PreparedStructuralSpectrum

Reusable native fixed-wavelength spectrum for one structural phase.

PreparedStructuralSpectrumInputView

Borrowed dynamic inputs for one prepared fixed-wavelength spectrum.

StructuralCalculationRequest

Owned application-boundary request for one multiphase structural calculation.

StructuralCalculationResult

Display-ready owned result from a structural calculation request.

StructuralModelInput

Owned sample-physics inputs for one prepared structural model.

StructuralMultiphaseResult

Ordered multiphase structural values and their combined profile.

StructuralPhaseDefinition

Owned crystallographic and scattering data for one structural phase.

Enums

PreparedStructuralModel

One native built-in structural model, monochromatic or fixed-spectrum.

StructuralMultiphaseError

Invalid native multiphase request.

StructuralSpectrumError

Invalid fixed-wavelength structural spectrum request.