matchms.filtering.filter_utils package

Submodules

• matchms.filtering.filter_utils.derive_precursor_mz_and_parent_mass module
  • derive_parent_mass_from_metadata()
• matchms.filtering.filter_utils.get_neutral_mass_from_smiles module
  • get_molecular_weight_neutral_mass()
  • get_monoisotopic_neutral_mass()
• matchms.filtering.filter_utils.interpret_unknown_adduct module
  • get_charge_of_adduct()
  • get_ions_from_adduct()
  • get_mass_of_formula()
  • get_mass_of_ion()
  • get_multiplier_and_mass_from_adduct()
  • replace_abbreviations()
  • split_ion()
• matchms.filtering.filter_utils.load_known_adducts module
  • load_known_adduct_conversions()
  • load_known_adducts()
• matchms.filtering.filter_utils.metadata_conversions module
  • apply_metadata_row_filter()
  • apply_metadata_updates_to_spectrum()
  • as_float_or_none()
  • as_string_or_none()
  • is_missing_metadata_value()
• matchms.filtering.filter_utils.smile_inchi_inchikey_conversions module
  • convert_inchi_to_inchikey()
  • convert_inchi_to_smiles()
  • convert_smiles_to_inchi()
  • is_valid_inchi()
  • is_valid_inchikey()
  • is_valid_smiles()
  • mol_converter()