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
- field ring_size: int [Required]
The size of the ring that this feature describes.