Struct ChiralDB

pub struct ChiralDB { /* private fields */ }

Implementations

impl ChiralDB

pub fn new() -> Self

pub fn desc(&self) -> String

pub fn query_similarity_for_smiles( &self, doc_name: &String, smiles: &String, cut_off: f32, ) -> ResultSimilarity

pub fn query_substructure_for_smarts( &self, doc_name: &String, smarts: &SMARTS, ) -> ResultSubstructure

Trait Implementations

impl Debug for ChiralDB

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

Formats the value using the given formatter.