Reaction Result

class ReactionResult(new_atoms, new_bonds, deleted_atoms, deleted_bonds)[source]

Bases: object

The result of a reaction.

Methods

get_deleted_atoms()

Get the atoms deleted by the reaction.

get_deleted_bonds()

Get the bonds deleted by the reaction.

get_new_atoms()

Get the new atoms added by the reaction.

get_new_bonds()

Get the new bonds added by the reaction.

__init__(new_atoms, new_bonds, deleted_atoms, deleted_bonds)[source]

Initialize a ReactionResult instance.

Parameters
  • new_atoms (tuple of NewAtom) – The new atoms added by the reaction.

  • new_bonds (tuple of Bond) – The bonds added by the reaction.

  • deleted_atoms (tuple of Atom) – The atoms deleted by the reaction.

  • deleted_bonds (tuple of Bond) – The bonds deleted by the reaction.

get_deleted_atoms()[source]

Get the atoms deleted by the reaction.

Returns

The atoms deleted by the reaction.

Return type

tuple of Atom

get_deleted_bonds()[source]

Get the bonds deleted by the reaction.

Returns

The bonds deleted by the reaction.

Return type

tuple of Bond

get_new_atoms()[source]

Get the new atoms added by the reaction.

Returns

The new atoms added by the reaction.

Return type

tuple of NewAtom

get_new_bonds()[source]

Get the new bonds added by the reaction.

Returns

The new bonds added by the reaction.

Return type

tuple of Bond