OpenFF QCSubmit documentation

openff-qcsubmit

ComponentProperties

pydantic model openff.qcsubmit.common_structures.ComponentProperties

The workflow properties class which controls if the component can be used in multiprocessing or if the component produces duplicates.

Show JSON schema

{
   "title": "ComponentProperties",
   "description": "The workflow properties class which controls if the component can be used in multiprocessing or if the component\nproduces duplicates.",
   "type": "object",
   "properties": {
      "process_parallel": {
         "title": "Process Parallel",
         "description": "If the component can safely be ran in parallel `True` or not `False`.",
         "type": "boolean"
      },
      "produces_duplicates": {
         "title": "Produces Duplicates",
         "description": "If the component is expected to produce duplicate molecules `True` or not `False`.",
         "type": "boolean"
      }
   },
   "required": [
      "process_parallel",
      "produces_duplicates"
   ],
   "additionalProperties": false
}

Config

• allow_mutation: bool = False

• extra: str = forbid

Fields

• process_parallel (bool)

• produces_duplicates (bool)

field process_parallel: bool [Required]

If the component can safely be ran in parallel True or not False.

field produces_duplicates: bool [Required]

If the component is expected to produce duplicate molecules True or not False.