xdl.readwrite.json module

xdl.readwrite.json.VALID_SECTIONS: List[str] = ['steps', 'reagents', 'hardware', 'metadata', 'parameters']

Valid sections for XDL JSON.

xdl.readwrite.json.validate_json_blueprint(xdl_json: Dict[str, Any]) → None

Validate format of XDL JSON Dict containing Blueprints and Synthesis is correct.

Parameters

xdl_json (Dict[str, Any]) – XDL JSON loaded into dict, containing the keys “Bluprints” and “Synthesis”.

Raises

XDLJSONError – Raises various subclasses of this error if the XDL JSON is not in the correct format.

xdl.readwrite.json.validate_xdl_element_json(xdl_element_json: Dict[str, Any]) → None

Validate given xdl element from XDL JSON.

Parameters

xdl_element_json (Dict[str, Any]) – XDL element dict from XDL JSON.

Raises

XDLJSONMissingPropertiesError – XDL element JSON is missing “properties” parameter.

xdl.readwrite.json.validate_xdl_json(xdl_json: Dict[str, Any]) → None

Validate XDL JSON Dict is correct format.

Parameters

xdl_json (Dict[str, Any]) – XDL JSON loaded into dict.

Raises

XDLJSONError – Raises various subclasses of this error if the XDL JSON is not in the correct format.

xdl.readwrite.json.validate_xdl_step_json(step_json: Dict[str, Any]) → None

Validate given step from XDL JSON, recursively validating any child steps.

Parameters

step_json (Dict[str, Any]) – Step dict from XDL JSON.

Raises

• XDLJSONMissingStepNameError – Step JSON is missing “name” parameter.

• XDLJSONMissingPropertiesError – Step JSON is missing “properties” parameter.

xdl.readwrite.json.xdl_element_from_json(xdl_element_json: Dict[str, Any], xdl_element_type: type) → Union[xdl.reagents.Reagent, xdl.hardware.Component]

Convert JSON XDL element dict to object of given type.

Parameters

• xdl_element_json (Dict[str, Any]) – XDL element dict from XDL JSON.

• xdl_element_type (type) – Reagent or Component.

Raises

XDLInvalidPropError – Invalid prop given to instantiate xdl element with.

Returns

Instantiated Reagent or Component object.

Return type

Union[Reagent, Component]

xdl.readwrite.json.xdl_element_to_json(xdl_step: Union[xdl.reagents.Reagent, xdl.hardware.Component, xdl.parameters.Parameter]) → Dict[str, Any]

Convert XDL element to JSON format immediately useable by ChemIDE.

Parameters

• xdl_element (Union[Reagent, Component]) – XDL element to convert to XDL JSON format.

• full_properties (bool) – If True include all properties regardless of whether they are internal properties or the same as the default properties.

Returns

XDL JSON format dict representing xdl_step.

Return type

Dict[str, Any]

xdl.readwrite.json.xdl_from_json(xdl_json: Dict[str, Any], platform: xdl.platforms.abstract_platform.AbstractPlatform, context: xdl.context.Context) → Dict[str, Any]

Convert JSON XDL format dict to dict containing all data necessary for initialising XDL object.

Parameters

• xdl_json (Dict[str, Any]) – XDL JSON loaded into dict.

• platform (AbstractPlatform) – Platform to use when constructing XDL object.

Returns

Dict containing all data necessary for instantiating

XDL object. Format is the following:

{
    "steps": steps,
    "reagents": reagents,
    "hardware": hardware,
    "parameters": parameters,
}

Return type

Dict[str, Any]

xdl.readwrite.json.xdl_from_json_file(xdl_json_file: str, platform: xdl.platforms.abstract_platform.AbstractPlatform, context: xdl.context.Context) → Dict[str, Any]

Convert .json file with JSON XDL format to dict containing all information necessary to initialise a XDL object.

Parameters

• xdl_json_file (str) – Path to XDL JSON file.

• platform (AbstractPlatform) – Platform to use when constructing XDL object.

Returns

Dict containing all information necessary to initialise

a XDL object. Format is the following:

{
    "steps": steps,
    "reagents": reagents,
    "hardware": hardware,
}

Return type

Dict[str, Any]

xdl.readwrite.json.xdl_step_from_json(step_json: Dict[str, Any], platform: xdl.platforms.abstract_platform.AbstractPlatform, context: xdl.context.Context, blueprints: Dict[str, Any]) → xdl.steps.core.step.Step

Convert JSON XDL format step Dict to Step object.

Parameters

• step_json (Dict[str, Any]) – Step dict from XDL JSON to convert to Step object.

• platform (AbstractPlatform) – Platform to use when finding step class to initialise.

Raises

• XDLInvalidPropError – Invalid prop used in step_json.

• XDLInvalidStepTypeError – Invalid step type in step_json.

Returns

Step object loaded from XDL JSON step.

Return type

Step

xdl.readwrite.json.xdl_step_to_json(xdl_step: xdl.steps.core.step.Step, full_properties: bool = False) → Dict[str, Any]

Convert XDL Step to JSON format immediately useable by ChemIDE.

Parameters

• xdl_step (Step) – XDL step to convert to XDL JSON format.

• full_properties (bool) – If True include all properties regardless of whether they are internal properties or the same as the default properties.

Returns

XDL JSON format dict representing xdl_step.

Return type

Dict[str, Any]

xdl.readwrite.json.xdl_to_json(xdl_obj: XDL, full_properties: bool = False) → Dict[str, Any]

Convert XDL object to JSON format immediately useable by ChemIDE.

Parameters

• xdl_obj (XDL) – XDL object to convert to XDL JSON.

• full_properties (bool) – If True include all properties regardless of whether they are internal properties or the same as the default properties.

Returns

XDL JSON dict produced from xdl_obj.

Return type

Dict[str, Any]