Struct chiral_data::SourceChembl

pub struct SourceChembl { /* private fields */ }

Implementations

impl SourceChembl

pub fn new() -> Self

pub fn set_path(&mut self, path_str: &OsStr)

pub fn load_all(&mut self)

pub fn load_partial(&mut self, range: &Range<usize>)

pub fn get(&self, id: &String) -> Option<&EntryChembl>

pub fn get_all(&self) -> &HashMap<String, EntryChembl>

pub fn len(&self) -> usize

pub fn get_smiles_id_pairs(&self) -> (Vec<String>, Vec<String>)

pub fn choices(&self, size: usize) -> Vec<&EntryChembl>

Trait Implementations

impl Default for SourceChembl

fn default() -> Self

Returns the “default value” for a type.

impl From<SourceChembl> for DocSMILES

fn from(sc: SourceChembl) -> Self

Converts to this type from the input type.