Struct SMILESDocument 

pub struct SMILESDocument { /* private fields */ }

SMILESDocument

Implementations

impl SMILESDocument

pub fn len(&self) -> usize

pub fn get_id(&self, idx: usize) -> &ID

pub fn get_data(&self, idx: usize) -> &SMILES

pub fn desc(&self) -> String

pub fn new_from_smiles_vec( smiles_vec: &Vec<&String>, ids_input: &Vec<String>, ) -> Self

pub fn new_from_chembl(filepath: &Path) -> Self

pub fn get_doc_ob_molecule(&self) -> Vec<(ID, SMILES)>

Trait Implementations

impl Debug for SMILESDocument

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

Formats the value using the given formatter.