Struct BigSmiles 

pub struct BigSmiles {
    pub segments: Vec<BigSmilesSegment>,
}

A parsed BigSMILES string: a sequence of SMILES fragments and stochastic objects.

Examples

use bigsmiles::parse;

let pe = parse("{[]CC[]}").unwrap();        // polyethylene
let pe_end = parse("CC{[$]CC[$]}CC").unwrap(); // α,ω-dimethyl polyethylene
assert_eq!(pe_end.segments.len(), 3);

Fields

segments: Vec<BigSmilesSegment>

Ordered sequence of segments making up the BigSMILES string.

Trait Implementations

impl Clone for BigSmiles

fn clone(&self) -> BigSmiles

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for BigSmiles

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

Formats the value using the given formatter.

impl Display for BigSmiles

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

Formats the value using the given formatter.

impl PartialEq for BigSmiles

fn eq(&self, other: &BigSmiles) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl StructuralPartialEq for BigSmiles