Module purr::feature[][src]

Common components used in graph and tree representations.

Structs

Number

An integer from zero to 1,000.

Enums

Aliphatic

Atomic symbols that can be aliphatic.

Aromatic

Atomic symbols that can be aromatic.

AtomKind

Minimal context-sensitive representation of an atom kind.

BondKind

A kind of bond. Elided bonds are not present in the corresponding string representation.

BracketAromatic

Eligible symbols for aromatic bracket atoms.

BracketSymbol

Represents those atomic symbols capable of appearing within a bracket atom in the string representation.

Charge

An integer charge from -15 to +15.

Configuration

Representation of a configurational template. Most applications will use only TH1 (counterclockwise) and TH2 (clockwise).

Element

Complete and up-to-date set of atomic symbols.

Rnum

OpenSMILES.

VirtualHydrogen

Represents the virtual hydrogen count on a bracket atom. See: Hydrogen Suppression in SMILES.