CurationWorkflow¶
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class
openff.evaluator.datasets.curation.workflow.CurationWorkflow[source]¶ A convenience class for applying a set of curation components sequentially to a data set.
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__init__()¶ Initialize self. See help(type(self)) for accurate signature.
Methods
__init__()Initialize self.
apply()Apply each component of this curation workflow to an initial data set in sequence.
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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.
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