Feature

class pyopenms.Feature

Bases: object

Cython implementation of _Feature

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS_1_1Feature.html

– Inherits from [‘UniqueIdInterface’, ‘RichPeak2D’]

The Feature class is used to describe the two-dimensional signal caused by an analyte. It can store a charge state and a list of peptide identifications (for peptides). The area occupied by the Feature in the LC-MS data set is represented by a list of convex hulls (one for each isotopic peak). There is also a convex hull for the entire Feature. The model description can store the parameters of a two-dimensional theoretical model of the underlying signal in LC-MS. Currently, non-peptide compounds are also represented as features

__init__()
  • Cython signature: void Feature()

  • Cython signature: void Feature(Feature &)

Methods

__init__

  • Cython signature: void Feature()

clearMetaInfo

Cython signature: void clearMetaInfo() Removes all meta values

clearUniqueId

Cython signature: size_t clearUniqueId() Clear the unique id.

encloses

Cython signature: bool encloses(double rt, double mz)

ensureUniqueId

Cython signature: size_t ensureUniqueId() Assigns a valid unique id, but only if the present one is invalid.

getAnnotationState

Cython signature: AnnotationState getAnnotationState()

getCharge

Cython signature: int getCharge()

getConvexHull

Cython signature: ConvexHull2D getConvexHull()

getConvexHulls

Cython signature: libcpp_vector[ConvexHull2D] getConvexHulls()

getIntensity

Cython signature: float getIntensity() Returns the data point intensity (height)

getKeys

Cython signature: void getKeys(libcpp_vector[String] & keys) Fills the given vector with a list of all keys for which a value is set

getMZ

Cython signature: double getMZ() Returns the m/z coordinate (index 1)

getMetaValue

Cython signature: DataValue getMetaValue(String) Returns the value corresponding to a string, or

getOverallQuality

Cython signature: float getOverallQuality() Model and quality methods

getPeptideIdentifications

Cython signature: libcpp_vector[PeptideIdentification] getPeptideIdentifications() Returns a reference to the PeptideIdentification vector

getQuality

Cython signature: float getQuality(size_t index) Returns the quality in dimension c

getRT

Cython signature: double getRT() Returns the RT coordinate (index 0)

getSubordinates

Cython signature: libcpp_vector[Feature] getSubordinates() Returns the subordinate features

getUniqueId

Cython signature: size_t getUniqueId() Returns the unique id

getWidth

Cython signature: float getWidth()

hasInvalidUniqueId

Cython signature: size_t hasInvalidUniqueId() Returns whether the unique id is invalid.

hasValidUniqueId

Cython signature: size_t hasValidUniqueId() Returns whether the unique id is valid.

isMetaEmpty

Cython signature: bool isMetaEmpty() Returns if the MetaInfo is empty

isValid

Cython signature: bool isValid(uint64_t unique_id) Returns true if the unique_id is valid, false otherwise

metaRegistry

Cython signature: MetaInfoRegistry metaRegistry() Returns a reference to the MetaInfoRegistry

metaValueExists

Cython signature: bool metaValueExists(String) Returns whether an entry with the given name exists

removeMetaValue

Cython signature: void removeMetaValue(String) Removes the DataValue corresponding to name if it exists

setCharge

Cython signature: void setCharge(int q)

setConvexHulls

Cython signature: void setConvexHulls(libcpp_vector[ConvexHull2D])

setIntensity

Cython signature: void setIntensity(float) Returns the data point intensity (height)

setMZ

Cython signature: void setMZ(double) Returns the m/z coordinate (index 1)

setMetaValue

Cython signature: void setMetaValue(String, DataValue) Sets the DataValue corresponding to a name

setOverallQuality

Cython signature: void setOverallQuality(float q) Sets the overall quality

setPeptideIdentifications

Cython signature: void setPeptideIdentifications(libcpp_vector[PeptideIdentification] & peptides) Sets the PeptideIdentification vector

setQuality

Cython signature: void setQuality(size_t index, float q) Sets the quality in dimension c

setRT

Cython signature: void setRT(double) Returns the RT coordinate (index 0)

setSubordinates

Cython signature: void setSubordinates(libcpp_vector[Feature]) Returns the subordinate features

setUniqueId

Cython signature: void setUniqueId(uint64_t rhs) Assigns a new, valid unique id.

setWidth

Cython signature: void setWidth(float q)

clearMetaInfo()

Cython signature: void clearMetaInfo() Removes all meta values

clearUniqueId()

Cython signature: size_t clearUniqueId() Clear the unique id. The new unique id will be invalid. Returns 1 if the unique id was changed, 0 otherwise

encloses()

Cython signature: bool encloses(double rt, double mz)

Parameters
  • rt – Sequence to digest

  • mz – Digestion products

ensureUniqueId()

Cython signature: size_t ensureUniqueId() Assigns a valid unique id, but only if the present one is invalid. Returns 1 if the unique id was changed, 0 otherwise

getAnnotationState()

Cython signature: AnnotationState getAnnotationState()

getCharge()

Cython signature: int getCharge()

getConvexHull()

Cython signature: ConvexHull2D getConvexHull()

getConvexHulls()

Cython signature: libcpp_vector[ConvexHull2D] getConvexHulls()

getIntensity()

Cython signature: float getIntensity() Returns the data point intensity (height)

getKeys()

Cython signature: void getKeys(libcpp_vector[String] & keys) Fills the given vector with a list of all keys for which a value is set

getMZ()

Cython signature: double getMZ() Returns the m/z coordinate (index 1)

getMetaValue()

Cython signature: DataValue getMetaValue(String) Returns the value corresponding to a string, or

getOverallQuality()

Cython signature: float getOverallQuality() Model and quality methods

getPeptideIdentifications()

Cython signature: libcpp_vector[PeptideIdentification] getPeptideIdentifications() Returns a reference to the PeptideIdentification vector

getQuality()

Cython signature: float getQuality(size_t index) Returns the quality in dimension c

getRT()

Cython signature: double getRT() Returns the RT coordinate (index 0)

getSubordinates()

Cython signature: libcpp_vector[Feature] getSubordinates() Returns the subordinate features

getUniqueId()

Cython signature: size_t getUniqueId() Returns the unique id

getWidth()

Cython signature: float getWidth()

hasInvalidUniqueId()

Cython signature: size_t hasInvalidUniqueId() Returns whether the unique id is invalid. Returns 1 if the unique id is invalid, 0 otherwise

hasValidUniqueId()

Cython signature: size_t hasValidUniqueId() Returns whether the unique id is valid. Returns 1 if the unique id is valid, 0 otherwise

isMetaEmpty()

Cython signature: bool isMetaEmpty() Returns if the MetaInfo is empty

isValid()

Cython signature: bool isValid(uint64_t unique_id) Returns true if the unique_id is valid, false otherwise

metaRegistry()

Cython signature: MetaInfoRegistry metaRegistry() Returns a reference to the MetaInfoRegistry

metaValueExists()

Cython signature: bool metaValueExists(String) Returns whether an entry with the given name exists

removeMetaValue()

Cython signature: void removeMetaValue(String) Removes the DataValue corresponding to name if it exists

setCharge()

Cython signature: void setCharge(int q)

setConvexHulls()

Cython signature: void setConvexHulls(libcpp_vector[ConvexHull2D])

setIntensity()

Cython signature: void setIntensity(float) Returns the data point intensity (height)

setMZ()

Cython signature: void setMZ(double) Returns the m/z coordinate (index 1)

setMetaValue()

Cython signature: void setMetaValue(String, DataValue) Sets the DataValue corresponding to a name

setOverallQuality()

Cython signature: void setOverallQuality(float q) Sets the overall quality

setPeptideIdentifications()

Cython signature: void setPeptideIdentifications(libcpp_vector[PeptideIdentification] & peptides) Sets the PeptideIdentification vector

setQuality()

Cython signature: void setQuality(size_t index, float q) Sets the quality in dimension c

setRT()

Cython signature: void setRT(double) Returns the RT coordinate (index 0)

setSubordinates()

Cython signature: void setSubordinates(libcpp_vector[Feature]) Returns the subordinate features

setUniqueId()

Cython signature: void setUniqueId(uint64_t rhs) Assigns a new, valid unique id. Always returns 1

setWidth()

Cython signature: void setWidth(float q)