Enum BondOrder 

pub enum BondOrder {
    Single,
    Double,
    Triple,
    Quadruple,
    Aromatic,
    Up,
    Down,
    Zero,
    Dative,
    QueryAny,
    QuerySingleOrDouble,
    QuerySingleOrAromatic,
    QueryDoubleOrAromatic,
}

Bond order, covering all SMILES bond types.

Variants

Single

Single bond -

Double

Double bond =

Triple

Triple bond #

Quadruple

Quadruple bond $ (used in some metal complexes)

Aromatic

Aromatic bond : (pre-Kekulization representation)

Up

Stereo bond / (E/Z specification)

Down

Stereo bond \ (E/Z specification)

Zero

Zero-order bond used by CTAB/CXSMILES for non-valence connections.

Dative

Dative/coordinate bond. The stored atom1 → atom2 direction is the donor→acceptor direction.

QueryAny

Query bond matching any bond (~ / MDL type 8).

QuerySingleOrDouble

Query bond matching single or double bonds (MDL type 5).

QuerySingleOrAromatic

Query bond matching single or aromatic bonds (MDL type 6).

QueryDoubleOrAromatic

Query bond matching double or aromatic bonds (MDL type 7).

Implementations

impl BondOrder

pub fn order_value(self) -> Option<f32>

Fractional bond order. Returns None for aromatic (non-integer).

pub fn order_int(self) -> u8

Integer bond order used for valence calculations. Aromatic, stereo, dative, and query bonds count conservatively as 1.

pub fn smiles_token(self) -> &'static str

The SMILES/CXSMILES token that represents this bond order when available.

pub fn smiles_char(self) -> char

The SMILES character that represents this bond order.

Trait Implementations

impl Clone for BondOrder

fn clone(&self) -> BondOrder

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Copy for BondOrder

impl Debug for BondOrder

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

Formats the value using the given formatter.

impl Display for BondOrder

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

Formats the value using the given formatter.

impl Eq for BondOrder

impl Hash for BondOrder

fn hash<__H: Hasher>(&self, state: &mut __H)

Feeds this value into the given Hasher.

fn hash_slice<H>(data: &[Self], state: &mut H)

where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher.

impl PartialEq for BondOrder

fn eq(&self, other: &BondOrder) -> 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 BondOrder