phasesmith-engine 0.1.0

Native composition layer for PhaseSmith
Documentation 
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//! 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.

pub use phasesmith_core as profile;
pub use phasesmith_crystallography as crystallography;

mod prepared_structural_phase;
mod structural_multiphase;
pub mod structural_pattern;
mod structural_spectrum;

pub use prepared_structural_phase::{
    PreparedStructuralPatternInputView, PreparedStructuralPhase, StructuralPhaseDefinition,
};
pub use structural_multiphase::{
    PreparedStructuralModel, PreparedStructuralModelInputView, PreparedStructuralMultiphase,
    StructuralCalculationRequest, StructuralCalculationResult, StructuralModelInput,
    StructuralMultiphaseError, StructuralMultiphaseResult,
};
pub use structural_spectrum::{
    PreparedStructuralSpectrum, PreparedStructuralSpectrumInputView, StructuralSpectrumError,
};

pub use structural_pattern::{
    BuiltInScatteringModel, MonochromaticPositionCorrection, MonochromaticReflectionGeometry,
    StructuralPatternDenseResult, StructuralPatternError, StructuralPatternInputView,
    StructuralPatternJvpResult, StructuralPatternResult, StructuralPatternVjpResult,
    calculate_monochromatic_reflection_geometry, calculate_structural_pattern,
    calculate_structural_pattern_dense, calculate_structural_pattern_dense_with_context,
    calculate_structural_pattern_jvp, calculate_structural_pattern_jvp_with_context,
    calculate_structural_pattern_vjp, calculate_structural_pattern_vjp_with_context,
    calculate_structural_pattern_with_context,
};