MetaboliteFeatureDeconvolution

class pyopenms.MetaboliteFeatureDeconvolution

Bases: object

Cython implementation of _MetaboliteFeatureDeconvolution

Original C++ documentation is available here

– Inherits from [‘DefaultParamHandler’]

An algorithm to decharge small molecule features (i.e. as found by FeatureFinder)

__init__()

Overload:

__init__(self) → None

Overload:

__init__(self, in_0: MetaboliteFeatureDeconvolution) → None

Methods

__init__
compute(self, fm_in, fm_out, cons_map, ...)	Compute a zero-charge feature map from a set of charged features
getDefaults(self)	Returns the default parameters
getName(self)	Returns the name
getParameters(self)	Returns the parameters
getSubsections(self)
setName(self, in_0)	Sets the name
setParameters(self, param)	Sets the parameters

CHARGEMODE_MFD

alias of __CHARGEMODE_MFD

compute(self, fm_in: FeatureMap, fm_out: FeatureMap, cons_map: ConsensusMap, cons_map_p: ConsensusMap) → None

Compute a zero-charge feature map from a set of charged features

Find putative ChargePairs, then score them and hand over to ILP

Parameters:

• fm_in – Input feature-map

• fm_out – Output feature-map (sorted by position and augmented with user params)

• cons_map – Output of grouped features belonging to a charge group

• cons_map_p – Output of paired features connected by an edge

getDefaults(self) → Param

Returns the default parameters

getName(self) → bytes | str | String

Returns the name

getParameters(self) → Param

Returns the parameters

getSubsections(self) → List[bytes]

setName(self, in_0: bytes | str | String) → None

Sets the name

setParameters(self, param: Param) → None

Sets the parameters