AtomHybridization

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

One-hot encodings for the specified atomic orbital hybridization modes.

Fields:
field categories: List[HybridizationType] = [<HybridizationType.OTHER: 'other'>, <HybridizationType.SP: 'sp'>, <HybridizationType.SP2: 'sp2'>, <HybridizationType.SP3: 'sp3'>, <HybridizationType.SP3D: 'sp3d'>, <HybridizationType.SP3D2: 'sp3d2'>]

The supported hybridization modes.

field name: Literal['atom_hybridization'] = 'atom_hybridization'

Define a name for the feature

dict(*args, **kwargs)[source]

Generate a dictionary representation of the model, optionally specifying which fields to include or exclude.