Struct ElementSpec 

pub struct ElementSpec {
    pub symbol: Option<String>,
    pub z: Option<u8>,
    pub atom_fraction: Option<f64>,
    pub mass_fraction: Option<f64>,
    pub e_d_ev: Option<f64>,
    pub e_b_ev: Option<f64>,
    pub e_s_ev: Option<f64>,
}

Serialized form of one element entry. Give exactly one of symbol / z and exactly one of atom_fraction / mass_fraction; every element of a material must use the same fraction kind.

Fields

symbol: Option<String>

Element symbol, e.g. "Si".

z: Option<u8>

Atomic number (alternative to symbol).

atom_fraction: Option<f64>

Relative atom fraction (or stoichiometric count).

mass_fraction: Option<f64>

Relative mass fraction.

e_d_ev: Option<f64>

Displacement energy override, eV.

e_b_ev: Option<f64>

Lattice binding energy override, eV.

e_s_ev: Option<f64>

Surface binding energy override, eV.

Trait Implementations

impl Clone for ElementSpec

fn clone(&self) -> ElementSpec

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ElementSpec

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

Formats the value using the given formatter.

impl Default for ElementSpec

fn default() -> ElementSpec

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for ElementSpec

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for ElementSpec

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

Equality operator ==.

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

Inequality operator !=.

impl Serialize for ElementSpec

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl StructuralPartialEq for ElementSpec