modifinder.Compound.update

Compound.update(structure=None, id: str | None = None, spectrum: Spectrum | None = None, usi: str | None = None, adduct_mass: float | None = None, is_known: bool | None = None, name: str | None = None, peak_fragments_map: dict | None = None, distances: dict | None = None, **kwargs)

Update the attributes of the class

Parameters:

• (Chem.Mol (structure) –

• Smiles (The structure of the compound) –

• InChi) (The structure of the compound) –

• (str) (name) –

• (Spectrum) (spectrum) –

• (str) –

• (float) (adduct_mass) –

• (bool) (is_known) –

• (str) –

• (dict) (distances) –

• (dict) –

• **kwargs (Additional data) –

  • A use case is for the scenarios where the data parameter is provided, these arguments will be used to parse and clean the data