Precursor#

class pyopenms.Precursor#

Bases: object

Cython implementation of _Precursor

Original C++ documentation is available here: – Inherits from [‘Peak1D’, ‘CVTermList’]

Precursor meta information

This class contains precursor information:

__init__()#

Overload:

__init__(self) → None

Overload:

__init__(self, in_0: Precursor) → None

Methods

`__init__`
`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
`getActivationMethodsAsShortString`(self)	Returns the abbreviations (e.g., "CID") of the activation methods set on this instance
`getActivationMethodsAsString`(self)	Returns the full names (e.g., "Collision-induced dissociation") of the activation methods set on this instance
`getAllNamesOfActivationMethods`()	Returns the full names (e.g., "Collision-induced dissociation") of ALL possible activation methods, not just those set on this instance
`getAllShortNamesOfActivationMethods`()	Returns the abbreviations (e.g., "CID") of ALL possible activation methods, not just those set on this instance
`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

ActivationMethod#: alias of _PyActivationMethod

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[_PyActivationMethod]#: Returns the activation methods

getActivationMethodsAsShortString(self) → List[bytes]#: Returns the abbreviations (e.g., “CID”) of the activation methods set on this instance

getActivationMethodsAsString(self) → List[bytes]#: Returns the full names (e.g., “Collision-induced dissociation”) of the activation methods set on this instance

static getAllNamesOfActivationMethods() → List[bytes]#: Returns the full names (e.g., “Collision-induced dissociation”) of ALL possible activation methods, not just those set on this instance

static getAllShortNamesOfActivationMethods() → List[bytes]#: Returns the abbreviations (e.g., “CID”) of ALL possible activation methods, not just those set on this instance

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: bytes | str | String) → 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: 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: bytes | str | String) → bool#: Returns whether an entry with the given name exists

removeMetaValue(self, in_0: 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: bytes | str | String) → None#

setActivationEnergy(self, activation_energy: float) → None#: Sets the activation energy (in electronvolt)

setActivationMethods(self, activation_methods: Set[_PyActivationMethod]) → 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: bytes | str | String, in_1: 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