AtomInRingOfSize

model openff.nagl.features.atoms.AtomInRingOfSize[source]

One-hot encoding for whether the atom is in a ring of the given size.

The size of the ring is specified by the argument. For a ring of any size, see AtomIsInRing. To produce features corresponding to rings of multiple sizes, provide this feature multiple times:

>>> atom_features = (
...     AtomInRingOfSize(3),
...     AtomInRingOfSize(4),
...     AtomInRingOfSize(5),
...     AtomInRingOfSize(6),
...     ...
... )

See also

AtomIsInRing, BondIsInRingOfSize, BondIsInRing

Fields:
field name: Literal['atom_in_ring_of_size'] = 'atom_in_ring_of_size'

Define a name for the feature

field ring_size: int [Required]

The size of the ring that this feature describes.