Precursor

class pyopenms.Precursor

Bases: object

Cython implementation of _Precursor

Original C++ documentation is available here

– Inherits from [‘Peak1D’, ‘CVTermList’]

__init__()

Overload:

__init__(self) → None

Overload:

__init__(self, in_0: Precursor) → None

Methods

__init__	Overload:
addCVTerm(self, term)	Adds a CV term
clearMetaInfo(self)	Removes all meta values
consumeCVTerms(self, cv_term_map)	Merges the given map into the member map, no duplicate checking
empty(self)
getActivationEnergy(self)	Returns the activation energy (in electronvolt)
getActivationMethods(self)	Returns the activation methods
getCVTerms(self)	Returns the accession string of the term
getCharge(self)	Returns the charge
getDriftTime(self)	Returns the ion mobility drift time in milliseconds (-1 means it is not set)
getDriftTimeWindowLowerOffset(self)	Returns the lower offset from the target ion mobility in milliseconds
getDriftTimeWindowUpperOffset(self)	Returns the upper offset from the target ion mobility in milliseconds
getIntensity(self)
getIsolationWindowLowerOffset(self)	Returns the lower offset from the target m/z
getIsolationWindowUpperOffset(self)	Returns the upper offset from the target m/z
getKeys(self, keys)	Fills the given vector with a list of all keys for which a value is set
getMZ(self)
getMetaValue(self, in_0)	Returns the value corresponding to a string, or
getPos(self)
getPossibleChargeStates(self)	Returns the possible charge states
getUnchargedMass(self)	Returns the uncharged mass of the precursor, if charge is unknown, i.e. 0 best guess is its doubly charged.
hasCVTerm(self, accession)
isMetaEmpty(self)	Returns if the MetaInfo is empty
metaRegistry(self)	Returns a reference to the MetaInfoRegistry
metaValueExists(self, in_0)	Returns whether an entry with the given name exists
removeMetaValue(self, in_0)	Removes the DataValue corresponding to name if it exists
replaceCVTerm(self, term)	Replaces the specified CV term
replaceCVTerms(self, cv_terms, accession)
setActivationEnergy(self, activation_energy)	Sets the activation energy (in electronvolt)
setActivationMethods(self, activation_methods)	Sets the activation methods
setCVTerms(self, terms)	Sets the CV terms
setCharge(self, charge)	Sets the charge
setDriftTime(self, drift_time)	Sets the ion mobility drift time in milliseconds
setDriftTimeWindowLowerOffset(self, drift_time)	Sets the lower offset from the target ion mobility
setDriftTimeWindowUpperOffset(self, drift_time)	Sets the upper offset from the target ion mobility
setIntensity(self, in_0)
setIsolationWindowLowerOffset(self, bound)	Sets the lower offset from the target m/z
setIsolationWindowUpperOffset(self, bound)	Sets the upper offset from the target m/z
setMZ(self, in_0)
setMetaValue(self, in_0, in_1)	Sets the DataValue corresponding to a name
setPos(self, pos)
setPossibleChargeStates(self, ...)	Sets the possible charge states

addCVTerm(self, term: CVTerm) → None

Adds a CV term

clearMetaInfo(self) → None

Removes all meta values

consumeCVTerms(self, cv_term_map: Dict[bytes, List[CVTerm]]) → None

Merges the given map into the member map, no duplicate checking

empty(self) → bool

getActivationEnergy(self) → float

Returns the activation energy (in electronvolt)

getActivationMethods(self) → Set[int]

Returns the activation methods

getCVTerms(self) → Dict[bytes, List[CVTerm]]

Returns the accession string of the term

getCharge(self) → int

Returns the charge

getDriftTime(self) → float

Returns the ion mobility drift time in milliseconds (-1 means it is not set)

getDriftTimeWindowLowerOffset(self) → float

Returns the lower offset from the target ion mobility in milliseconds

getDriftTimeWindowUpperOffset(self) → float

Returns the upper offset from the target ion mobility in milliseconds

getIntensity(self) → float

getIsolationWindowLowerOffset(self) → float

Returns the lower offset from the target m/z

getIsolationWindowUpperOffset(self) → float

Returns the upper offset from the target m/z

getKeys(self, keys: List[bytes]) → None

Fills the given vector with a list of all keys for which a value is set

getMZ(self) → float

getMetaValue(self, in_0: Union[bytes, str, String]) → Union[int, float, bytes, str, List[int], List[float], List[bytes]]

Returns the value corresponding to a string, or

getPos(self) → float

getPossibleChargeStates(self) → List[int]

Returns the possible charge states

getUnchargedMass(self) → float

Returns the uncharged mass of the precursor, if charge is unknown, i.e. 0 best guess is its doubly charged

hasCVTerm(self, accession: Union[bytes, str, String]) → bool

isMetaEmpty(self) → bool

Returns if the MetaInfo is empty

metaRegistry(self) → MetaInfoRegistry

Returns a reference to the MetaInfoRegistry

metaValueExists(self, in_0: Union[bytes, str, String]) → bool

Returns whether an entry with the given name exists

removeMetaValue(self, in_0: Union[bytes, str, String]) → None

Removes the DataValue corresponding to name if it exists

replaceCVTerm(self, term: CVTerm) → None

Replaces the specified CV term

replaceCVTerms(self, cv_terms: List[CVTerm], accession: Union[bytes, str, String]) → None

setActivationEnergy(self, activation_energy: float) → None

Sets the activation energy (in electronvolt)

setActivationMethods(self, activation_methods: Set[int]) → None

Sets the activation methods

setCVTerms(self, terms: List[CVTerm]) → None

Sets the CV terms

setCharge(self, charge: int) → None

Sets the charge

setDriftTime(self, drift_time: float) → None

Sets the ion mobility drift time in milliseconds

setDriftTimeWindowLowerOffset(self, drift_time: float) → None

Sets the lower offset from the target ion mobility

setDriftTimeWindowUpperOffset(self, drift_time: float) → None

Sets the upper offset from the target ion mobility

setIntensity(self, in_0: float) → None

setIsolationWindowLowerOffset(self, bound: float) → None

Sets the lower offset from the target m/z

setIsolationWindowUpperOffset(self, bound: float) → None

Sets the upper offset from the target m/z

setMZ(self, in_0: float) → None

setMetaValue(self, in_0: Union[bytes, str, String], in_1: Union[int, float, bytes, str, List[int], List[float], List[bytes]]) → None

Sets the DataValue corresponding to a name

setPos(self, pos: float) → None

setPossibleChargeStates(self, possible_charge_states: List[int]) → None

Sets the possible charge states