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FragmentationTree

Simple and easy serializable fragmentation tree model with annotated fragments/nodes abd losses/edges Root fragment has index 0; Molecular formula and adduct are identical to the ones of the corresponding molecular formula candidate and SpectrumAnnotation

Properties

Name Type Description Notes
fragments List[FragmentNode] [optional]
losses List[LossEdge] [optional]
tree_score float [optional]
molecular_formula str [optional]
adduct str [optional]

Example

from PySirius.models.fragmentation_tree import FragmentationTree

# TODO update the JSON string below
json = "{}"
# create an instance of FragmentationTree from a JSON string
fragmentation_tree_instance = FragmentationTree.from_json(json)
# print the JSON string representation of the object
print(FragmentationTree.to_json())

# convert the object into a dict
fragmentation_tree_dict = fragmentation_tree_instance.to_dict()
# create an instance of FragmentationTree from a dict
fragmentation_tree_from_dict = FragmentationTree.from_dict(fragmentation_tree_dict)

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