Two-Two Reaction

class TwoTwoReaction(construction_state, functional_group1, functional_group2, bond_order, periodicity)[source]

A reaction between two functional groups, each with 2 bonder atoms.

The reaction creates the two shortest possible bonds between the bonder atoms of the two functional groups, and deletes any deleter atoms.

Methods

Get the result of carrying out the reaction.

__init__(construction_state, functional_group1, functional_group2, bond_order, periodicity)[source]

Initialize a TwoTwoReaction instance.

Parameters:

construction_state (ConstructionState) – The construction state of the molecule being constructed.
functional_group1 (GenericFunctionalGroup) – The first functional group in the reaction.
functional_group2 (GenericFunctionalGroup) – The second functional group in the reaction.
bond_order (int) – The bond order of the bonds created by the reaction.
periodicity (tuple of int) – The periodicity of the bonds created by the reaction.

get_result()

Get the result of carrying out the reaction.