phasesmith-workflows 0.1.0

Application-neutral native workflows for PhaseSmith
Documentation 
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//! Application-neutral native refinement and project workflows.
//!
//! This crate is the shared host boundary for Python adapters and future
//! native application consumers. It contains no `PyO3`, Tauri, GUI, or
//! file-format types.

mod backgrounds;
mod constraints;
mod lattice;
mod lebail;
mod parameters;
mod quantitative;
mod residuals;
mod rietveld;
mod rietveld_general_objective;
mod rietveld_general_parameters;
mod rietveld_general_solver;
mod rietveld_joint;
mod rietveld_joint_solver;
mod rietveld_objective;
mod rietveld_parameters;
mod rietveld_project;
mod rietveld_recipe;
mod rietveld_solver;
mod runtime;
mod sample_physics;

pub use backgrounds::{
    AmorphousBackground, AmorphousPeak, BackgroundBasis, BackgroundError, BackgroundModel,
    ChebyshevBackground, CompositeBackground, DifferentiableBackground, PointBackground,
    PolynomialBackground,
};
pub use constraints::{
    AffineConstraint, Constraint, ConstraintDerivativeMatrix, ConstraintError, ConstraintTransform,
    FixedConstraint, LinearConstraint, LinearTerm,
};
pub use lattice::{
    CwLatticeGeometry, GeneratedLatticeDomain, LatticeBounds, LatticeError,
    LatticeParameterization, LatticeReflectionDomain, cw_lattice_geometry,
};
pub use lebail::{
    CoincidentReflectionGroup, CovarianceMatrix, IntensityExtractionResult, LeBailCalculation,
    LeBailCheckpoint, LeBailError, LeBailInput, LeBailIterationRecord, LeBailOptions, LeBailPhase,
    LeBailResult, ParameterChange, PhasePatternComponent, ReflectionIntensity,
    build_lebail_parameter_set, build_lebail_parameter_set_with_lattice, calculate_lebail_pattern,
    extract_lebail_intensities, initialize_lebail_intensities, iterate_lebail_once,
    lebail_instrument_parameter_key, lebail_lattice_parameter_key, lebail_phase_scale_key,
    lebail_reflection_position_key, refine_lebail, refine_lebail_with_runtime,
};
pub use parameters::{ParameterBounds, ParameterError, ParameterKey, ParameterSet, ParameterSpec};
pub use quantitative::{
    PhaseWeightFraction, QuantitativeError, QuantitativePhase, quantitative_phase_analysis,
};
pub use residuals::{ResidualError, ResidualEvaluation, ResidualOptions, evaluate_residuals};
pub use rietveld::{
    RietveldCalculation, RietveldCalculationOptions, RietveldError, RietveldInput, RietveldPhase,
    RietveldPhaseCalculation, RietveldTopologyChange, calculate_rietveld_pattern,
};
pub use rietveld_general_objective::{
    DEFAULT_MAX_LINEARIZATION_ELEMENTS, PreparedGeneralFreeLinearization,
    PreparedGeneralRietveldObjective, RietveldGeneralObjectiveError,
};
pub use rietveld_general_parameters::{
    RietveldGeneralParameterError, RietveldInstrumentParameter, RietveldParameterLayout,
    RietveldParameterSelection,
};
pub use rietveld_general_solver::{
    RietveldCovarianceMatrix, RietveldCovarianceOptions, RietveldGeneralCheckpoint,
    RietveldGeneralRefinementError, RietveldGeneralRefinementResult, RietveldParameterCorrelation,
    refine_general_rietveld, refine_general_rietveld_with_runtime,
};
pub use rietveld_joint::{
    JointRietveldError, JointRietveldGradient, JointRietveldHistogram, JointRietveldLayout,
    JointRietveldProduct, PreparedJointRietveldObjective,
};
pub use rietveld_joint_solver::{
    JointRietveldCheckpoint, JointRietveldIterationRecord, JointRietveldMetrics,
    JointRietveldRefinementError, JointRietveldRefinementOptions, JointRietveldRefinementResult,
    JointRietveldTopologyChange, refine_joint_rietveld, refine_joint_rietveld_with_runtime,
};
pub use rietveld_objective::{
    PreparedRietveldLinearization, PreparedRietveldObjective, RietveldObjectiveError,
};
pub use rietveld_parameters::{
    RietveldParameterError, RietveldStructuralLayout, RietveldStructuralSelection,
    SiteCoordinateModel,
};
pub use rietveld_project::{RietveldAnalysis, RietveldProjectError, RietveldProjectState};
pub use rietveld_recipe::{
    RietveldRecipe, RietveldRecipeError, RietveldRecipeMode, RietveldRecipeSinks, RietveldStage,
    RietveldStageResult, RietveldWorkflowResult, intelligent_rietveld_recipe, run_rietveld_recipe,
    run_rietveld_recipe_with_sinks,
};
pub use rietveld_solver::{
    RietveldCheckpoint, RietveldIterationRecord, RietveldRefinementError,
    RietveldRefinementOptions, RietveldRefinementResult, refine_rietveld,
    refine_rietveld_with_runtime,
};
pub use runtime::{
    CancellationError, CancellationToken, CheckpointSink, DiagnosticValue, MonotonicClock,
    RefinementEvent, RefinementEventKind, RefinementEventSink, RefinementLimits, RefinementRuntime,
    RefinementStop, RuntimeClock, RuntimeError, TerminationReason,
};
pub use sample_physics::{
    EvaluatedSamplePhysics, RietveldSamplePhysicsModel, SamplePhysicsError, SamplePhysicsParameter,
};