CurationComponent

class openff.evaluator.datasets.curation.components.CurationComponent[source]

A base component for curation components which apply a particular operation (such as filtering or data conversion) to a data set.

__init__()

Methods

__init__()

apply()

Apply this curation component to a data set.
classmethod apply(data_set: openff.evaluator.datasets.datasets.PhysicalPropertyDataSet, schema: openff.evaluator.datasets.curation.components.components.CurationComponentSchema, n_processes: int = 1) → openff.evaluator.datasets.datasets.PhysicalPropertyDataSet[source]
classmethod apply(data_set: pandas.core.frame.DataFrame, schema: openff.evaluator.datasets.curation.components.components.CurationComponentSchema, n_processes: int = 1) → pandas.core.frame.DataFrame

Apply this curation component to a data set.

Parameters

  • data_set – The data frame to apply the component to.

  • schema – The schema which defines how this component should be applied.

  • n_processes – The number of processes that this component is allowed to parallelize across.

Returns

Return type

The data set which has had the component applied to it.