modifinder.classes.EdgeDetail.EdgeDetail

class modifinder.classes.EdgeDetail.EdgeDetail(number_of_modifications: int = -1, match_score: float = 0, matches: List[Match] | None = None, start_spectrum_id: str | None = None, end_spectrum_id: str | None = None, start_compound_id: str | None = None, end_compound_id: str | None = None)

Class for Edge Details

Parameters:

• number_of_modifications (int) – Number of modifications, -1 for unknown

• match_score (float) – Match score, how well the two spectra match

• matches (List[Match]) – List of matches, each match is a tuple of two peak m/z values and the match type. It is important to note that match has directionality. The first peak m/z is from the first node of the edge and the second peak m/z is from the second node of the edge.

__init__(number_of_modifications: int = -1, match_score: float = 0, matches: List[Match] | None = None, start_spectrum_id: str | None = None, end_spectrum_id: str | None = None, start_compound_id: str | None = None, end_compound_id: str | None = None)

Initialize the EdgeDetail object.

Parameters:

• number_of_modifications (int) – Number of modifications, -1 for unknown

• match_score (float) – Match score, how well the two spectra match

• matches (List[Match]) – List of matches, each match is a tuple of two peak m/z values and the match type. It is important to note that match has directionality. The first peak m/z is from the first node of the edge and the second peak m/z is from the second node of the edge.

Methods

__init__([number_of_modifications, ...])	Initialize the EdgeDetail object.
copy()	Create a copy of the EdgeDetail object
get_matches_pairs()	Get the matches as a list of tuples
get_meta_data()	Get the metadata of the EdgeDetail
get_single_type_matches(match_type)	Get the matches of a specific type