rxn.reaction_preprocessing.standardizer.StandardizationOutput

class rxn.reaction_preprocessing.standardizer.StandardizationOutput(standardized_rxn_smiles, original_rxn_smiles, invalid_smiles, rejected_smiles, missing_annotations)

Bases: object

Contains the results and additional information for the standardization of one reaction SMILES.

Parameters

• standardized_rxn_smiles (str) –

• original_rxn_smiles (str) –

• invalid_smiles (List[str]) –

• rejected_smiles (List[str]) –

• missing_annotations (List[str]) –

__init__(standardized_rxn_smiles, original_rxn_smiles, invalid_smiles, rejected_smiles, missing_annotations)

Method generated by attrs for class StandardizationOutput.

Parameters

• standardized_rxn_smiles (str) –

• original_rxn_smiles (str) –

• invalid_smiles (List[str]) –

• rejected_smiles (List[str]) –

• missing_annotations (List[str]) –

Return type

None

Methods

__init__(standardized_rxn_smiles, ...)	Method generated by attrs for class StandardizationOutput.
keys(rxn_column_name)	Return the "keys" in the right order (same order as values).
values()	Return the "values" in the right order (same order as keys).

Attributes

standardized_rxn_smiles
original_rxn_smiles
invalid_smiles
rejected_smiles
missing_annotations

static keys(rxn_column_name)

Return the “keys” in the right order (same order as values).

Parameters

rxn_column_name (str) –

Return type

List[str]

values()

Return the “values” in the right order (same order as keys).

Return type

List[str]