One-Two Reaction

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

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

A reaction between two functional groups.

One functional group has 1 bonder atom, A, and the other has 2, B and C. Two bonds are created, one between A and B and one between A and C. Any deleter atoms are removed.

Methods

get_result()

Get the result of carrying out the reaction.

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

Initialize a OneTwoReaction 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