Struct AtomBindings 

pub struct AtomBindings { /* private fields */ }

The occupied subshells of one neutral atom.

Absent shells are not listed. A subshell that is unoccupied in the neutral ground state has no entry; AtomBindings::binding_energy_ev returns None for it. There is no zero or sentinel binding energy.

Invariants: 1 <= z <= 92 (the crate’s element table); at least one subshell; subshells strictly increasing by designator (so no duplicates); occupancies summing to z within OCCUPANCY_SUM_TOLERANCE (a neutral atom).

Implementations

impl AtomBindings

pub fn new(z: u8, shells: Vec<ShellBinding>) -> Result<Self, ElectronDataError>

Build a validated atom. Shells must be given in increasing designator order (the order of the ENDF format).

pub fn z(&self) -> u8

Atomic number.

pub fn shells(&self) -> &[ShellBinding]

Occupied subshells, in increasing designator order.

pub fn shell(&self, subshell: Subshell) -> Option<&ShellBinding>

The entry for a subshell, or None if it is unoccupied.

pub fn binding_energy_ev(&self, subshell: Subshell) -> Option<f64>

Binding energy of a subshell, eV, or None if it is unoccupied.

Trait Implementations

impl Clone for AtomBindings

fn clone(&self) -> AtomBindings

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for AtomBindings

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for AtomBindings

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for AtomBindings

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

Equality operator ==.

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

Inequality operator !=.

impl Serialize for AtomBindings

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 AtomBindings