Converting to and from other data formats

modifinder.convert.compound_to_dict(compound)

Convert a Compound object to a dictionary

modifinder.convert.spectrum_to_dict(spectrum)

Convert a Spectrum object to a dictionary

modifinder.convert.to_compound(data=None, use_object=None, **kwargs)

Make a Compound object from the data

Parameters:

• data (object to be converted) –

  Current supported types are:

  Compound object (return the same object, for copying you can pass use_object or use .copy() method) USI string dictionary-of-data

• use_object (object, optional) – If a Compound object is passed, this object will be used to create the new object.

• kwargs (keyword arguments) – If no data is passed, the keyword arguments will be used to create the object.

modifinder.convert.to_spectrum(data=None, use_object=None, needs_parse=True, **kwargs)

Make a Spectrum object from the data

Parameters:

• data (object to be converted) –

  Current supported types are:

  Spectrum object (return the same object, for copying you can pass use_object or use .copy() method) USI string dictionary-of-data

• use_object (object, optional) – If a Spectrum object is passed, this object will be used to create the new object.

• needs_parse (bool, default is True) – If True, the dict data will be parsed to a universal format