Enum AtomPrimitive 

pub enum AtomPrimitive {
    Any,
    AtomicNum(u8),
    ElementAliphatic(Element),
    ElementAromatic(Element),
    Aromatic,
    Aliphatic,
    HCount(u8),
    Charge(i8),
    Ring(Option<usize>),
    NotInRing,
    Degree(u8),
}

Primitive atom predicates for SMARTS matching.

Variants

Any

Match any atom: *.

AtomicNum(u8)

Match by atomic number: #n.

ElementAliphatic(Element)

Match a specific element as aliphatic (uppercase symbol, e.g. C, N).

ElementAromatic(Element)

Match a specific element as aromatic (lowercase symbol, e.g. c, n).

Aromatic

Match any aromatic atom: a.

Aliphatic

Match any aliphatic atom: A.

HCount(u8)

Match total H count: H (= 1) or Hn.

Charge(i8)

Match formal charge: +n or -n.

Ring(Option<usize>)

Atom is in any ring: R. Some(n) = in ring of size n.

NotInRing

Atom is not in any ring: R0.

Degree(u8)

Heavy-atom degree: Dn.

Trait Implementations

impl Clone for AtomPrimitive

fn clone(&self) -> AtomPrimitive

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for AtomPrimitive

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

Formats the value using the given formatter.

impl PartialEq for AtomPrimitive

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