ToolkitValidator
- pydantic model openff.qcsubmit.workflow_components.ToolkitValidator[source]
A pydantic mixin class that adds toolkit settings and validation along with provenance information.
Note
The provenance information and toolkit settings are handled by the [ToolkitValidator][qcsubmit.workflow_components.base_component.ToolkitValidator] mixin.
Show JSON schema
{ "title": "ToolkitValidator", "description": "A pydantic mixin class that adds toolkit settings and validation along with provenance information.\n\nNote:\n The provenance information and toolkit settings are handled by the\n [ToolkitValidator][qcsubmit.workflow_components.base_component.ToolkitValidator] mixin.", "type": "object", "properties": {} }
- provenance(toolkit_registry)[source]
This component calls the OFFTK to perform the task and logs information on the backend toolkit used.
- Parameters
toolkit_registry (openff.toolkit.utils.toolkit_registry.ToolkitRegistry) – The openff.toolkit.utils.ToolkitRegistry which declares the available toolkits for the component.
- Returns
A dictionary containing the version information about the backend toolkit called to perform the task.
- Return type