PositionConstraintSet
- pydantic model openff.qcsubmit.constraints.PositionConstraintSet[source]
Show JSON schema
{ "title": "PositionConstraintSet", "description": "A basic config class for results structures.", "type": "object", "properties": { "type": { "title": "Type", "default": "xyz", "enum": [ "xyz" ], "type": "string" }, "indices": { "title": "Indices", "type": "array", "minItems": 1, "maxItems": 1, "items": [ { "type": "integer" } ] }, "value": { "title": "Value", "description": "The value the constraint should be set to, a value or possition.", "anyOf": [ { "type": "string" }, { "type": "array", "minItems": 3, "maxItems": 3, "items": [ { "type": "number" }, { "type": "number" }, { "type": "number" } ] } ] } }, "required": [ "indices", "value" ] }
- Config
allow_mutation: bool = False
arbitrary_types_allowed: bool = True
json_encoders: dict = {<class ‘numpy.ndarray’>: <function ResultsConfig.Config.<lambda> at 0x7f2da9ea5e40>, <enum ‘Enum’>: <function ResultsConfig.Config.<lambda> at 0x7f2da9ea5da0>}
- Fields
- Validators
- field indices: Tuple[int] [Required]
- Validated by
_order_and_check_indices
- field value: Union[str, Tuple[float, float, float]] [Required]
The value the constraint should be set to, a value or possition.
- Validated by
_format_position