Module purr::tree

Tree representation of SMILES.

Structs

Atom	An atom in the context of a tree SMILES representation. Outbound connections are available through links, but no inbound connection is available. Accessing such information requires either a traversal of the tree or conversion to a graph-like (adjacency) representation.

Enums

Link	A half-bond capturing the kind of bond and its target.
Rnum
Target	Distinguishes two different targets that may appear at the end of a Link: those to an atom; and those to a ring index (rnum).

Functions

from_graph

Returns the root atom in a tree corresponding to the input graph.