MRMFeature#
- class pyopenms.MRMFeature#
Bases:
object
Cython implementation of _MRMFeature
- Original C++ documentation is available here
– Inherits from [‘Feature’]
- __init__()#
Overload:
- __init__(self) None
Overload:
- __init__(self, in_0: MRMFeature) None
Methods
Overload:
addFeature
(self, f, key)Adds an feature from a single chromatogram into the feature
addPrecursorFeature
(self, f, key)Adds a precursor feature from a single chromatogram into the feature
clearMetaInfo
(self)Removes all meta values
clearUniqueId
(self)Clear the unique id.
encloses
(self, rt, mz)Returns if the mass trace convex hulls of the feature enclose the position specified by rt and mz
ensureUniqueId
(self)Assigns a valid unique id, but only if the present one is invalid.
getAnnotationState
(self)getCharge
(self)getConvexHull
(self)getConvexHulls
(self)getFeature
(self, key)Returns a specified feature
getFeatureIDs
(self, result)Returns a list of IDs of available features
getFeatures
(self)Returns all the features
getIntensity
(self)Returns the data point intensity (height)
getKeys
(self, keys)Fills the given vector with a list of all keys for which a value is set
getMZ
(self)Returns the m/z coordinate (index 1)
getMetaValue
(self, in_0)Returns the value corresponding to a string, or
getOverallQuality
(self)Model and quality methods
Returns a reference to the PeptideIdentification vector
getPrecursorFeature
(self, key)Returns a specified precursor feature
getPrecursorFeatureIDs
(self, result)Returns a list of IDs of available precursor features
getQuality
(self, index)Returns the quality in dimension c
getRT
(self)Returns the RT coordinate (index 0)
getScores
(self)Returns all peakgroup scores
getSubordinates
(self)Returns the subordinate features
getUniqueId
(self)Returns the unique id
getWidth
(self)hasInvalidUniqueId
(self)Returns whether the unique id is invalid.
hasValidUniqueId
(self)Returns whether the unique id is valid.
isMetaEmpty
(self)Returns if the MetaInfo is empty
isValid
(self, unique_id)Returns true if the unique_id is valid, false otherwise
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
setCharge
(self, q)setConvexHulls
(self, in_0)setIntensity
(self, in_0)Returns the data point intensity (height)
setMZ
(self, in_0)Returns the m/z coordinate (index 1)
setMetaValue
(self, in_0, in_1)Sets the DataValue corresponding to a name
setOverallQuality
(self, q)Sets the overall quality
setPeptideIdentifications
(self, peptides)Sets the PeptideIdentification vector
setQuality
(self, index, q)Sets the quality in dimension c
setRT
(self, in_0)Returns the RT coordinate (index 0)
setScores
(self, s)Sets all peakgroup scores
setSubordinates
(self, in_0)Returns the subordinate features
setUniqueId
(self, rhs)Assigns a new, valid unique id.
setWidth
(self, q)- addFeature(self, f: Feature, key: bytes | str | String) None #
Adds an feature from a single chromatogram into the feature
- addPrecursorFeature(self, f: Feature, key: bytes | str | String) None #
Adds a precursor feature from a single chromatogram into the feature
- clearMetaInfo(self) None #
Removes all meta values
- clearUniqueId(self) int #
Clear the unique id. The new unique id will be invalid. Returns 1 if the unique id was changed, 0 otherwise
- encloses(self, rt: float, mz: float) bool #
Returns if the mass trace convex hulls of the feature enclose the position specified by rt and mz
- Parameters:
rt – Sequence to digest
mz – Digestion products
- ensureUniqueId(self) int #
Assigns a valid unique id, but only if the present one is invalid. Returns 1 if the unique id was changed, 0 otherwise
- getAnnotationState(self) int #
- getCharge(self) int #
- getConvexHull(self) ConvexHull2D #
- getConvexHulls(self) List[ConvexHull2D] #
- getFeatureIDs(self, result: List[bytes]) None #
Returns a list of IDs of available features
- getIntensity(self) float #
Returns the data point intensity (height)
- 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 #
Returns the m/z coordinate (index 1)
- 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
- getOverallQuality(self) float #
Model and quality methods
- getPeptideIdentifications(self) List[PeptideIdentification] #
Returns a reference to the PeptideIdentification vector
- getPrecursorFeature(self, key: bytes | str | String) Feature #
Returns a specified precursor feature
- getPrecursorFeatureIDs(self, result: List[bytes]) None #
Returns a list of IDs of available precursor features
- getQuality(self, index: int) float #
Returns the quality in dimension c
- getRT(self) float #
Returns the RT coordinate (index 0)
- getScores(self) OpenSwath_Scores #
Returns all peakgroup scores
- getUniqueId(self) int #
Returns the unique id
- getWidth(self) float #
- hasInvalidUniqueId(self) int #
Returns whether the unique id is invalid. Returns 1 if the unique id is invalid, 0 otherwise
- hasValidUniqueId(self) int #
Returns whether the unique id is valid. Returns 1 if the unique id is valid, 0 otherwise
- isMetaEmpty(self) bool #
Returns if the MetaInfo is empty
- isValid(self, unique_id: int) bool #
Returns true if the unique_id is valid, false otherwise
- 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
- setCharge(self, q: int) None #
- setConvexHulls(self, in_0: List[ConvexHull2D]) None #
- setIntensity(self, in_0: float) None #
Returns the data point intensity (height)
- setMZ(self, in_0: float) None #
Returns the m/z coordinate (index 1)
- 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
- setOverallQuality(self, q: float) None #
Sets the overall quality
- setPeptideIdentifications(self, peptides: List[PeptideIdentification]) None #
Sets the PeptideIdentification vector
- setQuality(self, index: int, q: float) None #
Sets the quality in dimension c
- setRT(self, in_0: float) None #
Returns the RT coordinate (index 0)
- setScores(self, s: OpenSwath_Scores) None #
Sets all peakgroup scores
- setUniqueId(self, rhs: int) None #
Assigns a new, valid unique id. Always returns 1
- setWidth(self, q: float) None #