Struct LeBailOptions

Source

pub struct LeBailOptions {Show 15 fields
    pub max_iterations: usize,
    pub min_iterations: usize,
    pub intensity_tolerance: f64,
    pub rwp_tolerance: f64,
    pub redistribution_damping: f64,
    pub minimum_calculated: f64,
    pub initial_intensity_floor: f64,
    pub use_uncertainty: bool,
    pub profile_damping: f64,
    pub max_scaled_parameter_step: f64,
    pub max_profile_backtracks: usize,
    pub unresolved_correlation: f64,
    pub diagnose_rank_deficiency: bool,
    pub support_fwhm: f64,
    pub execution: ExecutionPolicy,
}

Expand description

Deterministic controls for fixed-reflection extraction.

Fields§

§max_iterations: usize

Maximum accepted iterations.

§min_iterations: usize

Minimum accepted iterations before convergence.

§intensity_tolerance: f64

Maximum relative integrated-intensity change for convergence.

§rwp_tolerance: f64

Absolute Rwp change for convergence.

§redistribution_damping: f64

Multiplicative redistribution damping in (0, 1].

§minimum_calculated: f64

Minimum calculated profile accepted in the observed/calculated ratio.

§initial_intensity_floor: f64

Positive starting and relative-change denominator floor.

§use_uncertainty: bool

Whether supplied one-sigma uncertainty is used.

§profile_damping: f64

Non-negative diagonal regularization for profile normal equations.

§max_scaled_parameter_step: f64

Maximum absolute free-parameter step in scaled coordinates.

§max_profile_backtracks: usize

Number of profile-step halvings after the initial candidate.

§unresolved_correlation: f64

Correlation threshold used by optional unresolved-group diagnostics.

§diagnose_rank_deficiency: bool

Whether coincident reflection rank diagnostics are calculated.

§support_fwhm: f64

Finite profile support in FWHM units.

§execution: ExecutionPolicy

Persistent bounded native worker policy.

Implementations§

Source §

impl LeBailOptions

Source

pub fn new( max_iterations: usize, min_iterations: usize, intensity_tolerance: f64, rwp_tolerance: f64, redistribution_damping: f64, minimum_calculated: f64, initial_intensity_floor: f64, use_uncertainty: bool, unresolved_correlation: f64, diagnose_rank_deficiency: bool, support_fwhm: f64, execution: ExecutionPolicy, ) -> Result<Self, LeBailError>

Validate all convergence and execution controls.

§Errors

Returns LeBailError::InvalidOptions for an invalid control.

Source

pub fn with_profile_controls( self, profile_damping: f64, max_scaled_parameter_step: f64, max_profile_backtracks: usize, ) -> Result<Self, LeBailError>

Replace the native profile-solver controls after validation.

§Errors

Returns LeBailError for invalid damping or step controls.

Source

pub fn scripting_defaults( execution: ExecutionPolicy, ) -> Result<Self, LeBailError>

Construct the scripting-compatible defaults with an explicit policy.

§Errors

Returns LeBailError if the controls cannot be constructed.

Trait Implementations§

Source §

impl Clone for LeBailOptions

Source §

fn clone(&self) -> LeBailOptions

Returns a duplicate of the value. Read more

1.0.0 (const: unstable) · Source§

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

Performs copy-assignment from source. Read more

Source §

impl Debug for LeBailOptions

Source §

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

Formats the value using the given formatter. Read more

Source §

impl PartialEq for LeBailOptions

Source §

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

Equality operator ==. Read more

1.0.0 (const: unstable) · Source§

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

Inequality operator !=. Read more

Source §

impl StructuralPartialEq for LeBailOptions

Auto Trait Implementations§

§

impl UnsafeUnpin for LeBailOptions

Blanket Implementations§

Source §

impl<T> Any for T
where T: 'static + ?Sized,

Source §

fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more

Source §

impl<T> Borrow<T> for T
where T: ?Sized,

Source §

fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more

Source §

impl<T> BorrowMut<T> for T
where T: ?Sized,

Source §

fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more

Source §

impl<T> CloneToUninit for T
where T: Clone,

Source §

unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)

Performs copy-assignment from self to dest. Read more

Source §

impl<T> From<T> for T

Source §

fn from(t: T) -> T

Returns the argument unchanged.

Source §

impl<T, U> Into for T
where U: From<T>,

Source §

fn into(self) -> U

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

Source §

impl<T> IntoEither for T

Source §

fn into_either(self, into_left: bool) -> Either<Self, Self> ⓘ

Converts self into a Left variant of Either<Self, Self> if into_left is true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

Source §

fn into_either_with<F>(self, into_left: F) -> Either<Self, Self> ⓘ
where F: FnOnce(&Self) -> bool,

Converts self into a Left variant of Either<Self, Self> if into_left(&self) returns true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

Source §