molfoundry.VertexMapEntry

class molfoundry.VertexMapEntry(source, sourceInstance, target, targetInstance, ruleNodeId)

Bases: object

One atom of an atom-atom map.

source is the educt atom and target the product atom. A source of None means the rule created the atom, a target of None that it destroyed it. sourceInstance and targetInstance say which copy of its species the atom belongs to, 1-based, since a hyperedge may consume or produce several copies of the same molecule. ruleNodeId is the rule vertex the atom plays, or None for an atom the rule does not name.

Parameters:

• source (Vertex | None)

• sourceInstance (int)

• target (Vertex | None)

• targetInstance (int)

• ruleNodeId (int | None)

source

sourceInstance

target

targetInstance

ruleNodeId