Enum AromaticityAlgorithm 

pub enum AromaticityAlgorithm {
    Huckel,
    RdkitLike,
}

Algorithm used to classify ring aromaticity.

Passed to assign_aromaticity_ex and apply_aromaticity_ex.

Variants

Huckel

Strict Hückel 4n+2 rule (default). Supports C, N, O, S.

RdkitLike

RDKit-compatible extension. Adds Se (34) and Te (52) as chalcogen lone-pair donors (2π), matching the RDKit DEFAULT aromaticity model for common organic and chalcogen heteroaromatics.

P-containing aromatic rings are NOT supported in this mode (separate sprint). Keto-lactam aromaticity is NOT included (TautomerMode, separate sprint).

Trait Implementations

impl Clone for AromaticityAlgorithm

fn clone(&self) -> AromaticityAlgorithm

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Copy for AromaticityAlgorithm

impl Debug for AromaticityAlgorithm

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

Formats the value using the given formatter.

impl Default for AromaticityAlgorithm

fn default() -> AromaticityAlgorithm

Returns the “default value” for a type.

impl Eq for AromaticityAlgorithm

impl PartialEq for AromaticityAlgorithm

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