CurationWorkflow
- class openff.evaluator.datasets.curation.workflow.CurationWorkflow[source]
A convenience class for applying a set of curation components sequentially to a data set.
- __init__()
Methods
__init__
()apply
()Apply each component of this curation workflow to an initial data set in sequence.
- classmethod apply(data_set: openff.evaluator.datasets.datasets.PhysicalPropertyDataSet, schema: openff.evaluator.datasets.curation.workflow.CurationWorkflowSchema, n_processes: int = 1) openff.evaluator.datasets.datasets.PhysicalPropertyDataSet [source]
- classmethod apply(data_set: pandas.core.frame.DataFrame, schema: openff.evaluator.datasets.curation.workflow.CurationWorkflowSchema, n_processes: int = 1) pandas.core.frame.DataFrame
Apply each component of this curation workflow to an initial data set in sequence.
- Parameters
data_set – The data set to apply the workflow to. This may either be a data set object or it’s pandas representation.
schema – The schema which defines the components to apply.
n_processes – The number of processes that each component is allowed to parallelize across.
- Returns
- Return type
The data set which has had the curation workflow applied to it.