SmallMoleculeFeature: SmallMoleculeFeature

SmallMoleculeFeatureR Documentation

SmallMoleculeFeature

Description

SmallMoleculeFeature Class

Format

An R6Class generator object

Public fields

prefix

character [optional]

header_prefix

character [optional]

smf_id

integer

sme_id_refs

list( integer ) [optional]

sme_id_ref_ambiguity_code

integer [optional]

adduct_ion

character [optional]

isotopomer

Parameter [optional]

exp_mass_to_charge

numeric

charge

integer

retention_time_in_seconds

numeric [optional]

retention_time_in_seconds_start

numeric [optional]

retention_time_in_seconds_end

numeric [optional]

abundance_assay

list( numeric ) [optional]

opt

list( OptColumnMapping ) [optional]

comment

list( Comment ) [optional]

Methods

Public methods


Method new()

Create a new SmallMoleculeFeature.

Usage
SmallMoleculeFeature$new(
  smf_id,
  exp_mass_to_charge,
  charge,
  prefix = "SMF",
  header_prefix = "SFH",
  sme_id_refs = NULL,
  sme_id_ref_ambiguity_code = NULL,
  adduct_ion = NULL,
  isotopomer = NULL,
  retention_time_in_seconds = NULL,
  retention_time_in_seconds_start = NULL,
  retention_time_in_seconds_end = NULL,
  abundance_assay = NULL,
  opt = NULL,
  comment = NULL,
  ...
)
Arguments
smf_id

The small molecule feature id.

exp_mass_to_charge

The experimental mass to charge of the feature.

charge

The charge of the feature.

prefix

'SMF'.

header_prefix

'SFH'.

sme_id_refs

References by id to SmallMoleculeEvidences.

sme_id_ref_ambiguity_code

Ambiguity code for SME id refs.

adduct_ion

The adduct ion.

isotopomer

The isotopomer.

retention_time_in_seconds

The feature's retention time in seconds.

retention_time_in_seconds_start

The feature's retention time start in seconds.

retention_time_in_seconds_end

The feature's retention time end in seconds.

abundance_assay

The abundances over all assays.

opt

Optional columns and values.

comment

Comments.

...

local optional variable arguments.


Method toJSON()

Serialize to list object suitable for jsonlite

Usage
SmallMoleculeFeature$toJSON()

Method fromJSON()

Deserialize from jsonlite list object

Usage
SmallMoleculeFeature$fromJSON(SmallMoleculeFeatureJson)
Arguments
SmallMoleculeFeatureJson

list object.


Method toJSONString()

Serialize to JSON string.

Usage
SmallMoleculeFeature$toJSONString()

Method fromJSONString()

Deserialize from JSON string

Usage
SmallMoleculeFeature$fromJSONString(SmallMoleculeFeatureJson)
Arguments
SmallMoleculeFeatureJson

SmallMoleculeFeatureJson string


Method toDataFrame()

Serialize to data frame

Usage
SmallMoleculeFeature$toDataFrame()

Method fromDataFrame()

Deserialize from feature data frame

Usage
SmallMoleculeFeature$fromDataFrame(FeatureDataFrame)
Arguments
FeatureDataFrame

Feature data frame


Method clone()

The objects of this class are cloneable with this method.

Usage
SmallMoleculeFeature$clone(deep = FALSE)
Arguments
deep

Whether to make a deep clone.


lifs-tools/rmzTab-m documentation built on Jan. 26, 2023, 4:45 p.m.