TheoreticalGlycanSpectrumGenerator#

class pyopenms.TheoreticalGlycanSpectrumGenerator(*args, **kwargs)#

Bases: object

Diagnostic, composition, structural and localized glycopeptide fragment generation

__init__(self) → None#
__init__(self, arg: pyopenms._pyopenms_chemistry.TheoreticalGlycanSpectrumGenerator, /) → None
__init__(self, arg: pyopenms._pyopenms_chemistry.TheoreticalGlycanSpectrumGenerator.Options, /) → None

Attributes

`get_fragments`
`get_glycopeptide_fragments`
`get_options`
`set_options`
`to_spectrum`

class Fragment(*args, **kwargs)#

Bases: object

property attachment_position#: (self) -> int | None

property attachment_residue#: (self) -> str

property branch_cleavages#: (self) -> list[int]

property charge#: (self) -> int

property composition#: (self) -> pyopenms._pyopenms_chemistry.GlycanComposition

get_annotation#

get_mz#

property ion_type#: (self) -> pyopenms._pyopenms_chemistry.TheoreticalGlycanSpectrumGenerator.IonType

property name#: (self) -> str

property neutral_mass#: (self) -> float

property root_cleavage#: (self) -> int | None

class FragmentationMethod(*values)#

Bases: Enum

ETD = 1#

ETHCD = 2#

HCD = 0#

getMapping()#: Returns a dict mapping int values to enum member name strings.

class IonType(*values)#

Bases: Enum

B = 1#

C = 2#

DIAGNOSTIC = 0#

PEPTIDE = 5#

Y = 3#

Z = 4#

getMapping()#: Returns a dict mapping int values to enum member name strings.

class Options(*args, **kwargs)#

Bases: object

property add_b_ions#: (self) -> bool

property add_c_ions#: (self) -> bool

property add_diagnostic_ions#: (self) -> bool

property add_internal_fragments#: (self) -> bool

property add_y_ions#: (self) -> bool

property add_z_ions#: (self) -> bool

property allow_structural#: (self) -> bool

property max_charge#: (self) -> int

property max_cleavages#: (self) -> int

property max_composition_size#: (self) -> int

property max_fragments#: (self) -> int

property max_oxonium_charge#: (self) -> int

property max_states#: (self) -> int

property min_charge#: (self) -> int

property min_composition_size#: (self) -> int

property min_oxonium_charge#: (self) -> int

property neutral_losses#: (self) -> list[pyopenms._pyopenms_chemistry.EmpiricalFormula]

property peptide_retention#: (self) -> dict[str, pyopenms._pyopenms_chemistry.TheoreticalGlycanSpectrumGenerator.PeptideRetention]

property specific_neutral_losses#: (self) -> dict[str, list[pyopenms._pyopenms_chemistry.EmpiricalFormula]]

class PeptideRetention(*args, **kwargs)#

Bases: object

property intact#: (self) -> bool

property stripped#: (self) -> bool

property stubs#: (self) -> list[pyopenms._pyopenms_chemistry.GlycanComposition]

get_fragments#

get_glycopeptide_fragments#

get_options#

set_options#

to_spectrum = <nanobind.nb_func object>#