One-One Reaction

class OneOneReaction(functional_group1, functional_group2, bond_order, periodicity)[source]

Bases: stk.molecular.reactions.reactions.reaction.reaction.Reaction

A reaction between two functional groups, each with 1 bonder atom.

The reaction creates a bond between the bonder atoms, and deletes any deleter atoms.

Methods

get_result()

Get the result of carrying out the reaction.

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

Initialize a OneOneReaction instance.

Parameters
  • 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 bond created by the reaction.

  • periodicity (tuple of int) – The periodicity of the bond created by the reaction.

get_result()

Get the result of carrying out the reaction.

Returns

Holds the results of the reaction.

Return type

ReactionResult