BondInRingOfSize

model openff.nagl.features.bonds.BondInRingOfSize[source]

One-hot encoding for whether the bond 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 BondIsInRing. To produce features corresponding to rings of multiple sizes, provide this feature multiple times:

>>> bond_features = (
...     BondInRingOfSize(3),
...     BondInRingOfSize(4),
...     BondInRingOfSize(5),
...     BondInRingOfSize(6),
...     ...
... )

See also

BondIsInRing, AtomIsInRingOfSize, AtomIsInRing

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

Define a name for the feature

field ring_size: int [Required]