Struct SumRuleReport 

pub struct SumRuleReport {
    pub material: String,
    pub provenance: String,
    pub energy_range_ev: (f64, f64),
    pub f_sum_ev2: f64,
    pub plasma_energy_ev: f64,
    pub electron_density_per_m3: f64,
    pub p_eff: f64,
    pub mean_excitation_energy_ev: f64,
    pub target_density_per_m3: Option<f64>,
    pub energy_ev: Vec<f64>,
    pub cumulative_electron_density_per_m3: Vec<f64>,
    /* private fields */
}

The sum rules of one OpticalElf. See the module docs for the definitions. Built by SumRuleReport::new; printed by its Display implementation.

Fields

material: String

Material identity of the ELF.

provenance: String

Provenance of the ELF.

energy_range_ev: (f64, f64)

The integration range, the tabulated range of the ELF, eV.

f_sum_ev2: f64

∫ W ELF(W) dW over the table, eV².

plasma_energy_ev: f64

The plasma energy of all the electrons the ELF accounts for, ħΩ_p = sqrt((2/π) ∫ W ELF dW), eV.

electron_density_per_m3: f64

The effective electron density n_eff of the whole table, m⁻³.

p_eff: f64

P_eff = (2/π) ∫ ELF(W)/W dW over the table (no n(0)⁻² term).

mean_excitation_energy_ev: f64

Mean excitation energy I, eV: ln I = ∫ W ELF ln W dW / ∫ W ELF dW. NaN if the f-sum is zero.

target_density_per_m3: Option<f64>

The target-unit (atom or molecule) density used for N_eff, m⁻³, if one was given.

energy_ev: Vec<f64>

The tabulated energies W_k, eV.

cumulative_electron_density_per_m3: Vec<f64>

n_eff(W_k), the cumulative effective electron density up to each tabulated energy, m⁻³.

Implementations

impl SumRuleReport

pub fn new(elf: &OpticalElf) -> Self

The sum rules of elf, without a target density (N_eff is then not available, n_eff is).

pub fn with_target_density( elf: &OpticalElf, target_density_per_m3: f64, ) -> Result<Self, ElectronDataError>

The sum rules of elf with the density of target units (atoms or molecules, m⁻³), so that N_eff per unit is available. The density must be finite and positive.

pub fn electron_density_up_to(&self, w_ev: f64) -> f64

n_eff(W), m⁻³: the effective electron density for losses up to W (eV), exact for the interpolant. Zero below the table and the whole table’s value above it.

pub fn effective_electrons_up_to(&self, w_ev: f64) -> Option<f64>

N_eff(W): effective electrons per target unit for losses up to W (eV), if a target density was given.

pub fn effective_electrons(&self) -> Option<f64>

N_eff of the whole table, if a target density was given.

Trait Implementations

impl Clone for SumRuleReport

fn clone(&self) -> SumRuleReport

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for SumRuleReport

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

Formats the value using the given formatter.

impl Display for SumRuleReport

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

Formats the value using the given formatter.

impl PartialEq for SumRuleReport

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

Equality operator ==.

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

Inequality operator !=.

impl StructuralPartialEq for SumRuleReport