Dative Reaction Factory

class DativeReactionFactory(reaction_factory)[source]

Bases: stk.molecular.reactions.factories.reaction_factory.ReactionFactory

Create DativeReaction instances.

This reaction factory assumes that the functional groups, which belong to the EdgeGroup passed to it, are GenericFunctionalGroup instances. It returns a Reaction suitable for two such instances.

Dative bonds are defined with a bond_order of 9, running from the non-metal atom to the metal atom.

Methods

get_reaction(construction_state, edge_group)

Get a reaction to use on the edge_group.

__init__(reaction_factory)[source]

Initialize a DativeReactionFactory.

Parameters

reaction_factory (GenericReactionFactory) – Used to create reactions.

get_reaction(construction_state, edge_group)[source]

Get a reaction to use on the edge_group.

Parameters
  • construction_state (ConstructionState) – The state of the current construction.

  • edge_group (EdgeGroup) – The edge group for which a reaction should be found.

Returns

The reaction to use on the edge_group.

Return type

Reaction