Struct OrbitalWavefunction 

pub struct OrbitalWavefunction {
    pub tag_name: String,
    pub index: usize,
    pub label: String,
    pub angular_momentum: i32,
    pub values: NumericData,
}

Public UPF data model. A labeled orbital wavefunction array.

Fields

tag_name: String

Original UPF tag name.

index: usize

Orbital index.

label: String

Generator-provided orbital label.

angular_momentum: i32

Angular momentum quantum number l.

values: NumericData

Wavefunction samples.

Trait Implementations

impl Clone for OrbitalWavefunction

fn clone(&self) -> OrbitalWavefunction

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for OrbitalWavefunction

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for OrbitalWavefunction

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for OrbitalWavefunction

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

Tests for self and other values to be equal, and is used by ==.

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

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl Serialize for OrbitalWavefunction

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 OrbitalWavefunction