Struct ResolveResult 

pub struct ResolveResult {
    pub smiles: String,
    pub canonical_name: String,
    pub source: ResolveSource,
    pub molecular_formula: Option<String>,
    pub molecular_weight: Option<f64>,
}

Fields

smiles: String

canonical_name: String

source: ResolveSource

molecular_formula: Option<String>

Molecular formula in Hill notation (e.g. “C2H6O”). None when resolved via DirectSmiles (no MolGraph available).

molecular_weight: Option<f64>

Molecular weight in g/mol. None when resolved via DirectSmiles (no MolGraph available).

Trait Implementations

impl Clone for ResolveResult

fn clone(&self) -> ResolveResult

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ResolveResult

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

Formats the value using the given formatter.

impl Serialize for ResolveResult

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

where __S: Serializer,

Serialize this value into the given Serde serializer.