Ring Amine Reaction

class RingAmineReaction(position_matrix, ring_amine1, ring_amine2)[source]

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

Performs a reaction between two RingAmine groups.

The reaction creates a new ring, merging the two functional groups.

Methods

get_result()

Get the result of carrying out the reaction.

__init__(position_matrix, ring_amine1, ring_amine2)[source]

Initialize a RingAmineReaction instance.

Parameters
  • position_matrix (numpy.ndarray) – The position matrix of the molecule being constructed.

  • ring_amine1 (RingAmine) – The first functional group in the reaction.

  • ring_amine2 (RingAmine) – The second functional group in the reaction.

get_result()

Get the result of carrying out the reaction.

Returns

Holds the results of the reaction.

Return type

ReactionResult