class matlantis_features.features.reaction.reaction_string.ReactionStringFeatureOutput(num_segments: int, reaction_string_images: List[List[MatlantisAtoms]], transition_state_indices: List[Optional[int]], imaginary_eigenvectors: List[ndarray], converged: bool)#

Bases: FeatureBaseOutput

A dataclass containing the output of ReactionStringFeature.

Methods

__init__(num_segments, …)

from_dict(res)

Construct a FeatureBaseOutput object from serialized dict.

to_dict()

Dictionary representation of the FeatureBaseOutput.
__init__(num_segments: int, reaction_string_images: List[List[MatlantisAtoms]], transition_state_indices: List[Optional[int]], imaginary_eigenvectors: List[ndarray], converged: bool) → None#
classmethod from_dict(res: Dict[str, Any]) → FeatureBaseOutput#

Construct a FeatureBaseOutput object from serialized dict.

Parameters

res (dict[str, Any]) – A dict containing a serialized FeatureBaseOutput from to_dict().

Returns

The deserialized object from provided dict.

Return type

FeatureBaseOutput

to_dict() → Dict[str, Any]#

Dictionary representation of the FeatureBaseOutput.

Returns

A dict containing a serialized FeatureBaseOutput.

Return type

dict[str, Any]