Пример #1
0
def test_nested_input():

    dummy_schema = WorkflowSchema()

    dict_protocol = DummyInputOutputProtocol('dict_protocol')
    dict_protocol.input_value = {'a': ThermodynamicState(temperature=1*unit.kelvin)}
    dummy_schema.protocols[dict_protocol.id] = dict_protocol.schema

    quantity_protocol = DummyInputOutputProtocol('quantity_protocol')
    quantity_protocol.input_value = ProtocolPath('output_value[a].temperature', dict_protocol.id)
    dummy_schema.protocols[quantity_protocol.id] = quantity_protocol.schema

    dummy_schema.validate_interfaces()

    dummy_property = create_dummy_property(Density)

    dummy_workflow = Workflow(dummy_property, {})
    dummy_workflow.schema = dummy_schema

    with tempfile.TemporaryDirectory() as temporary_directory:

        workflow_graph = WorkflowGraph(temporary_directory)
        workflow_graph.add_workflow(dummy_workflow)

        dask_local_backend = DaskLocalCluster(1, ComputeResources(1))
        dask_local_backend.start()

        results_futures = workflow_graph.submit(dask_local_backend)

        assert len(results_futures) == 1

        result = results_futures[0].result()
        assert isinstance(result, CalculationLayerResult)
Пример #2
0
def test_simple_workflow_graph_with_groups():
    dummy_schema = WorkflowSchema()

    dummy_protocol_a = DummyEstimatedQuantityProtocol('protocol_a')
    dummy_protocol_a.input_value = EstimatedQuantity(1 * unit.kelvin,
                                                     0.1 * unit.kelvin,
                                                     'dummy_source')

    dummy_protocol_b = DummyEstimatedQuantityProtocol('protocol_b')
    dummy_protocol_b.input_value = ProtocolPath('output_value',
                                                dummy_protocol_a.id)

    conditional_group = ConditionalGroup('conditional_group')
    conditional_group.add_protocols(dummy_protocol_a, dummy_protocol_b)

    condition = ConditionalGroup.Condition()
    condition.right_hand_value = 2 * unit.kelvin
    condition.type = ConditionalGroup.ConditionType.LessThan

    condition.left_hand_value = ProtocolPath('output_value.value',
                                             conditional_group.id,
                                             dummy_protocol_b.id)

    conditional_group.add_condition(condition)

    dummy_schema.protocols[conditional_group.id] = conditional_group.schema

    dummy_schema.final_value_source = ProtocolPath('output_value',
                                                   conditional_group.id,
                                                   dummy_protocol_b.id)

    dummy_schema.validate_interfaces()

    dummy_property = create_dummy_property(Density)

    dummy_workflow = Workflow(dummy_property, {})
    dummy_workflow.schema = dummy_schema

    with tempfile.TemporaryDirectory() as temporary_directory:

        workflow_graph = WorkflowGraph(temporary_directory)
        workflow_graph.add_workflow(dummy_workflow)

        dask_local_backend = DaskLocalClusterBackend(1, ComputeResources(1))
        dask_local_backend.start()

        results_futures = workflow_graph.submit(dask_local_backend)

        assert len(results_futures) == 1

        result = results_futures[0].result()
        assert isinstance(result, CalculationLayerResult)
        assert result.calculated_property.value == 1 * unit.kelvin
Пример #3
0
def test_simple_workflow_graph():
    dummy_schema = WorkflowSchema()

    dummy_protocol_a = DummyInputOutputProtocol('protocol_a')
    dummy_protocol_a.input_value = EstimatedQuantity(1 * unit.kelvin, 0.1 * unit.kelvin, 'dummy_source')

    dummy_schema.protocols[dummy_protocol_a.id] = dummy_protocol_a.schema

    dummy_protocol_b = DummyInputOutputProtocol('protocol_b')
    dummy_protocol_b.input_value = ProtocolPath('output_value', dummy_protocol_a.id)

    dummy_schema.protocols[dummy_protocol_b.id] = dummy_protocol_b.schema

    dummy_schema.final_value_source = ProtocolPath('output_value', dummy_protocol_b.id)

    dummy_schema.validate_interfaces()

    dummy_property = create_dummy_property(Density)

    dummy_workflow = Workflow(dummy_property, {})
    dummy_workflow.schema = dummy_schema

    with tempfile.TemporaryDirectory() as temporary_directory:

        workflow_graph = WorkflowGraph(temporary_directory)
        workflow_graph.add_workflow(dummy_workflow)

        dask_local_backend = DaskLocalCluster(1, ComputeResources(1))
        dask_local_backend.start()

        results_futures = workflow_graph.submit(dask_local_backend)

        assert len(results_futures) == 1

        result = results_futures[0].result()
        assert isinstance(result, CalculationLayerResult)
        assert result.calculated_property.value == 1 * unit.kelvin