Struct SpectroscopyResult 

pub struct SpectroscopyResult {
    pub transitions: Vec<TransitionInfo>,
    pub method: String,
}

Result of sTDA UV-Vis calculation.

Fields

transitions: Vec<TransitionInfo>

Electronic transitions with energies and oscillator strengths.

method: String

Method used.

Trait Implementations

impl Clone for SpectroscopyResult

fn clone(&self) -> SpectroscopyResult

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for SpectroscopyResult

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for SpectroscopyResult

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for SpectroscopyResult

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

where __S: Serializer,

Serialize this value into the given Serde serializer.