`BondOrder`

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

One-hot encoding of the bond order.

The bond order is also known as the degree of the bond; a single bond has bond order 1, a double bond has bond order 2, etc. By default, one-hot encodings are provided for all of the formal charges in the categories field. To cover a different list of charges, provide that list as an argument to the feature:

>>> bond_features = (
...     BondOrder([1, 2, 3, 4]),
...     ...
... )

Fields:

name (Literal['bond_order'])

field name: Literal['bond_order'] = 'bond_order': Define a name for the feature