Enum AtomKind 

pub enum AtomKind {
    Symbol(Symbol),
    Bracket {
        isotope: Option<Isotope>,
        symbol: Symbol,
        configuration: Option<Configuration>,
        hcount: Option<VirtualHydrogen>,
        charge: Option<Charge>,
        map: Option<u16>,
    },
}

Minimal context-sensitive representation of an atom kind.

Variants

Symbol(Symbol)

Bracket

Fields

isotope: Option<Isotope>

symbol: Symbol

configuration: Option<Configuration>

hcount: Option<VirtualHydrogen>

charge: Option<Charge>

map: Option<u16>

Implementations

impl AtomKind

pub const fn is_aromatic(&self) -> bool

Returns true if the kind was defined as being aromatic.

pub fn targets(&self) -> &[u8]

Returns the valence targets for this atom kind.

pub fn invert_configuration(&mut self)

Inverts configuration given if it and at least one implicit hydrogen are present.

Panics

Panics given a Configuration other than TH1 or TH2.

Trait Implementations

impl Clone for AtomKind

fn clone(&self) -> AtomKind

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Copy for AtomKind

impl Debug for AtomKind

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

Formats the value using the given formatter.

impl Display for AtomKind

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

Formats the value using the given formatter.

impl Eq for AtomKind

impl PartialEq for AtomKind

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

Equality operator ==.

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

Inequality operator !=.

impl StructuralPartialEq for AtomKind