Enum ElectronicWorkflowResult 

pub enum ElectronicWorkflowResult {
    Eht {
        result: EhtResult,
    },
    UffFallback {
        energy_kcal_mol: f64,
        reason: String,
        support: EhtSupport,
    },
}

Result of an electronic workflow with optional UFF fallback.

Variants

Eht

Fields

result: EhtResult

UffFallback

Fields

energy_kcal_mol: f64

reason: String

support: EhtSupport

Trait Implementations

impl Clone for ElectronicWorkflowResult

fn clone(&self) -> ElectronicWorkflowResult

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ElectronicWorkflowResult

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for ElectronicWorkflowResult

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for ElectronicWorkflowResult

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

where __S: Serializer,

Serialize this value into the given Serde serializer.