stk.ReactionResult

class stk.ReactionResult(new_atoms, new_bonds, deleted_atoms, deleted_bonds)

Bases: object

The result of a reaction.

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.

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.

get_deleted_atoms()

Get the atoms deleted by the reaction.

Returns:

The atoms deleted by the reaction.

Return type:

tuple of Atom

get_deleted_bonds()

Get the bonds deleted by the reaction.

Returns:

The bonds deleted by the reaction.

Return type:

tuple of Bond

get_new_atoms()

Get the new atoms added by the reaction.

Returns:

The new atoms added by the reaction.

Return type:

tuple of NewAtom

get_new_bonds()

Get the new bonds added by the reaction.

Returns:

The new bonds added by the reaction.

Return type:

tuple of Bond