`bonds`

Bond features for GNN models.

A bond featurization scheme is a tuple of instances of the classes in this module:

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

The BondFeature and BondFeatureMeta classes may be used to implement your own features.

Classes

`BondFeature`	Abstract base class for features of bonds.
`BondIsAromatic`	One-hot encoding for whether the bond is aromatic or not.
`BondIsInRing`	One-hot encoding for whether the bond is in a ring of any size.
`BondInRingOfSize`	One-hot encoding for whether the bond is in a ring of the given size.
`WibergBondOrder`	The Wiberg fractional bond order of the bond.
`BondOrder`	One-hot encoding of the bond order.