Enum BondOrder 

pub enum BondOrder {
    Single,
    Double,
    Triple,
    Aromatic,
}

Bond multiplicity definitions used when describing topology edges.

Distinguishes classical single, double, triple, and aromatic delocalized interactions so that exported formats and force-field derivations can preserve chemical intent.

Variants

Single

Classical single bond.

Double

Double bond with two shared electron pairs.

Triple

Triple bond with three shared electron pairs.

Aromatic

Aromatic bond representing delocalized pi systems.

Implementations

impl BondOrder

pub fn value(&self) -> f64

Converts the bond order to a numeric multiplicity.

The returned value feeds file writers and geometry algorithms that require floating-point weights while still preserving the qualitative order.

Returns

The multiplicity expressed as an f64 (1.0, 2.0, 3.0, or 1.5 for aromatic).

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 Debug for BondOrder

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for BondOrder

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for BondOrder

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

Formats the value using the given formatter.

impl FromStr for BondOrder

type Err = String

The associated error which can be returned from parsing.

fn from_str(s: &str) -> Result<Self, Self::Err>

Parses a string s to return a value of this type.

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 Copy for BondOrder

impl Eq for BondOrder

impl StructuralPartialEq for BondOrder