Struct StaticStructureFactorDebye 

pub struct StaticStructureFactorDebye { /* private fields */ }

Debye structure-factor calculator.

Implementations

impl StaticStructureFactorDebye

pub fn new(k_values: &[F]) -> Result<Self, ComputeError>

Construct from an explicit array of k magnitudes (Å⁻¹). Must be non-empty.

pub fn linspace(k_min: F, k_max: F, n: usize) -> Result<Self, ComputeError>

Convenience: build a linearly-spaced k grid [k_min, k_max] with n points (inclusive of both endpoints).

pub fn k_values(&self) -> &Array1<F>

Trait Implementations

impl Clone for StaticStructureFactorDebye

fn clone(&self) -> StaticStructureFactorDebye

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Compute for StaticStructureFactorDebye

type Args<'a> = ()

Non-frame inputs, with a borrow tied to the frame-slice lifetime.

type Output = Vec<StaticStructureFactorDebyeResult>

Finalized output type.

fn compute<'a, FA: FrameAccess + Sync + 'a>( &self, frames: &[&'a FA], _: (), ) -> Result<Vec<StaticStructureFactorDebyeResult>, ComputeError>

Run the analysis. frames may be empty; implementations that need at least one frame return ComputeError::EmptyInput.

impl Debug for StaticStructureFactorDebye

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

Formats the value using the given formatter.