MSQuantifications#

class pyopenms.MSQuantifications#

Bases: object

Cython implementation of _MSQuantifications

Original C++ documentation is available here: – Inherits from [‘ExperimentalSettings’]

__init__()#

Overload:

__init__(self) → None

Overload:

__init__(self, in_0: MSQuantifications) → None

Overload:

__init__(self, fm: FeatureMap, es: ExperimentalSettings, dps: List[DataProcessing]) → None

Methods

`__init__`	Overload:
`addConsensusMap`(self, m)
`assignUIDs`(self)
`clearMetaInfo`(self)	Removes all meta values
`getAnalysisSummary`(self)
`getAssays`(self)
`getComment`(self)	Returns the free-text comment
`getConsensusMaps`(self)
`getContacts`(self)	Returns a reference to the list of contact persons
`getDataProcessingList`(self)
`getDateTime`(self)	Returns the date the experiment was performed
`getFeatureMaps`(self)
`getFractionIdentifier`(self)	Returns fraction identifier
`getHPLC`(self)	Returns a reference to the description of the HPLC run
`getIdentifier`(self)	Retrieve document identifier (e.g.
`getInstrument`(self)	Returns a reference to the MS instrument description
`getKeys`(self, keys)	Fills the given vector with a list of all keys for which a value is set
`getLoadedFilePath`(self)	Returns the file_name which is the absolute path to the file loaded
`getLoadedFileType`(self)	Returns the file_type (e.g.
`getMetaValue`(self, in_0)	Returns the value corresponding to a string, or
`getProteinIdentifications`(self)	Returns a reference to the protein ProteinIdentification vector
`getSample`(self)	Returns a reference to the sample description
`getSourceFiles`(self)	Returns a reference to the source data file
`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
`registerExperiment`
`removeMetaValue`(self, in_0)	Removes the DataValue corresponding to name if it exists
`setAnalysisSummaryQuantType`(self, r)
`setComment`(self, comment)	Sets the free-text comment
`setConsensusMaps`(self, in_0)
`setContacts`(self, contacts)	Sets the list of contact persons
`setDataProcessingList`(self, dpl)
`setDateTime`(self, date_time)	Sets the date the experiment was performed
`setFractionIdentifier`(self, fraction_identifier)	Sets the fraction identifier
`setHPLC`(self, hplc)	Sets the description of the HPLC run
`setIdentifier`(self, id)	Sets document identifier (e.g.
`setInstrument`(self, instrument)	Sets the MS instrument description
`setLoadedFilePath`(self, file_name)	Sets the file_name according to absolute path of the file loaded, preferably done whilst loading
`setLoadedFileType`(self, file_name)	Sets the file_type according to the type of the file loaded from, preferably done whilst loading
`setMetaValue`(self, in_0, in_1)	Sets the DataValue corresponding to a name
`setProteinIdentifications`(self, ...)	Sets the protein ProteinIdentification vector
`setSample`(self, sample)	Sets the sample description
`setSourceFiles`(self, source_files)	Sets the source data file

QUANT_TYPES#: alias of __QUANT_TYPES

addConsensusMap(self, m: ConsensusMap) → None#

assignUIDs(self) → None#

clearMetaInfo(self) → None#: Removes all meta values

getAnalysisSummary(self) → AnalysisSummary#

getAssays(self) → List[Assay]#

getComment(self) → bytes | str | String#: Returns the free-text comment

getConsensusMaps(self) → List[ConsensusMap]#

getContacts(self) → List[ContactPerson]#: Returns a reference to the list of contact persons

getDataProcessingList(self) → List[DataProcessing]#

getDateTime(self) → DateTime#: Returns the date the experiment was performed

getFeatureMaps(self) → List[FeatureMap]#

getFractionIdentifier(self) → bytes | str | String#: Returns fraction identifier

getHPLC(self) → HPLC#: Returns a reference to the description of the HPLC run

getIdentifier(self) → bytes | str | String#: Retrieve document identifier (e.g. an LSID)

getInstrument(self) → Instrument#: Returns a reference to the MS instrument description

getKeys(self, keys: List[bytes]) → None#: Fills the given vector with a list of all keys for which a value is set

getLoadedFilePath(self) → bytes | str | String#: Returns the file_name which is the absolute path to the file loaded

getLoadedFileType(self) → int#: Returns the file_type (e.g. featureXML, consensusXML, mzData, mzXML, mzML, …) of the file loaded

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

getProteinIdentifications(self) → List[ProteinIdentification]#: Returns a reference to the protein ProteinIdentification vector

getSample(self) → Sample#: Returns a reference to the sample description

getSourceFiles(self) → List[SourceFile]#: Returns a reference to the source data file

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

registerExperiment()#

removeMetaValue(self, in_0: bytes | str | String) → None#: Removes the DataValue corresponding to name if it exists

setAnalysisSummaryQuantType(self, r: int) → None#

setComment(self, comment: bytes | str | String) → None#: Sets the free-text comment

setConsensusMaps(self, in_0: List[ConsensusMap]) → None#

setContacts(self, contacts: List[ContactPerson]) → None#: Sets the list of contact persons

setDataProcessingList(self, dpl: List[DataProcessing]) → None#

setDateTime(self, date_time: DateTime) → None#: Sets the date the experiment was performed

setFractionIdentifier(self, fraction_identifier: bytes | str | String) → None#: Sets the fraction identifier

setHPLC(self, hplc: HPLC) → None#: Sets the description of the HPLC run

setIdentifier(self, id: bytes | str | String) → None#: Sets document identifier (e.g. an LSID)

setInstrument(self, instrument: Instrument) → None#: Sets the MS instrument description

setLoadedFilePath(self, file_name: bytes | str | String) → None#: Sets the file_name according to absolute path of the file loaded, preferably done whilst loading

setLoadedFileType(self, file_name: bytes | str | String) → None#: Sets the file_type according to the type of the file loaded from, preferably done whilst loading

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

setProteinIdentifications(self, protein_identifications: List[ProteinIdentification]) → None#: Sets the protein ProteinIdentification vector

setSample(self, sample: Sample) → None#: Sets the sample description

setSourceFiles(self, source_files: List[SourceFile]) → None#: Sets the source data file