matchms.filtering.metadata_processing.harmonize_undefined_smiles module¶
- matchms.filtering.metadata_processing.harmonize_undefined_smiles.harmonize_undefined_smiles(spectrum_in: Spectrum, undefined: str = '', aliases: List[str] | None = None) Spectrum [source]¶
Replace all aliases for empty/undefined smiles entries by
undefined
.- Parameters:
undefined – Give desired entry for undefined smiles fields. Default is “”.
aliases – Enter list of strings that are expected to represent undefined entries. Default is [“”, “N/A”, “NA”, “n/a”, “no data”].