Reaction Types#

class autode.reactions.reaction_types.ReactionType(name: str)#

Type of a reaction e.g. Addition

__init__(name: str)#

Reaction type with only a name

autode.reactions.reaction_types.classify(reactants: Sequence[Species], products: Sequence[Species]) ReactionType | None#

Classify a reaction into a type given some reactants and products

Returns:

Reaction type

Return type:

(autode.reactions.reaction_types.ReactionType)