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) 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) 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

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

Removes the DataValue corresponding to name if it exists

setComment(self, comment: 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: 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