Struct XsectDatData 

pub struct XsectDatData {
    pub titles: Vec<String>,
    pub scalars: XsectDatScalars,
    pub core_hole_width_ev: f64,
    pub main_energy_count: usize,
    pub fermi_index: usize,
    pub energy_grid_ev: Array1<Complex64>,
    pub normalized_background: Array1<f64>,
    pub cross_section: Array1<Complex64>,
}

FEFF xsect.dat contents.

Fields

titles: Vec<String>

Header title records written by FEFF wthead.

scalars: XsectDatScalars

Method/scalar record.

core_hole_width_ev: f64

Core-hole width in eV, gamach*hart.

main_energy_count: usize

Number of main energy points, ne1.

fermi_index: usize

FEFF ik0 index.

energy_grid_ev: Array1<Complex64>

Complex energy grid in eV as written in the first two data columns.

normalized_background: Array1<f64>

Normalized atomic background, xsnorm.

cross_section: Array1<Complex64>

Complex cross-section data, xsec.

Implementations

impl XsectDatData

pub fn energy_count(&self) -> usize

Number of rows in the cross-section table.

Trait Implementations

impl Clone for XsectDatData

fn clone(&self) -> XsectDatData

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for XsectDatData

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

Formats the value using the given formatter.

impl FeffCodec for XsectDatData

const FORMAT: FileFormat = FileFormat::XsectDat

Registered format represented by this type.

fn decode(path: &Path, bytes: &[u8]) -> Result<Self>

Decode a complete file payload.

fn encode(&self) -> Result<Vec<u8>>

Encode a complete canonical file payload.

fn read_from(path: &Path, source: impl Read) -> Result<Self>

Read a stream and decode it with a caller-supplied source path.

fn write_to(&self, path: &Path, destination: impl Write) -> Result<()>

Write a canonical payload, preserving destination context on errors.

impl PartialEq for XsectDatData

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

Equality operator ==.

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

Inequality operator !=.

impl StructuralPartialEq for XsectDatData