ExperimentalSettings

class pyopenms.ExperimentalSettings

Bases: object

Cython implementation of _ExperimentalSettings

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

Description of the experimental settings, provides meta-information about an LC-MS/MS injection.

__init__()

Overload:

__init__(self) → None

Overload:

__init__(self, in_0: ExperimentalSettings) → None

Methods

`__init__`	Overload:
`clearMetaInfo`(self)	Removes all meta values
`getComment`(self)	Returns the free-text comment
`getContacts`(self)	Returns a reference to the list of contact persons
`getDateTime`(self)	Returns the date the experiment was performed
`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
`removeMetaValue`(self, in_0)	Removes the DataValue corresponding to name if it exists
`setComment`(self, comment)	Sets the free-text comment
`setContacts`(self, contacts)	Sets the list of contact persons
`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

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

getComment(self) → Union[bytes, str, String]: Returns the free-text comment

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

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

getFractionIdentifier(self) → Union[bytes, str, String]: Returns fraction identifier

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

getIdentifier(self) → Union[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) → Union[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: Union[bytes, str, String]) → Union[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: 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

setComment(self, comment: Union[bytes, str, String]) → None: Sets the free-text comment

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

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

setFractionIdentifier(self, fraction_identifier: Union[bytes, str, String]) → None: Sets the fraction identifier

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

setIdentifier(self, id: Union[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: Union[bytes, str, String]) → None: Sets the file_name according to absolute path of the file loaded, preferably done whilst loading

setLoadedFileType(self, file_name: Union[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: 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

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