Esempio n. 1
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    def spin_up_test(grid_spacing=default_grid_spacing, **keyword_augments):
        instance_options = copy.deepcopy(torsiondrive_options)
        instance_options["torsiondrive_meta"]["grid_spacing"] = [grid_spacing]

        # instance_options = {**instance_options, **keyword_augments}
        recursive_dict_merge(instance_options, keyword_augments)
        ret = client.add_service("torsiondrive", [mol_ret["hooh"]],
                                 instance_options)
        nanny = dask_server_fixture.objects["queue_nanny"]
        nanny.await_services(max_iter=5)
        assert len(nanny.list_current_tasks()) == 0
        return ret
Esempio n. 2
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    def spin_up_test(**keyword_augments):

        instance_options = copy.deepcopy(torsiondrive_options)
        recursive_dict_merge(instance_options, keyword_augments)

        inp = TorsionDriveInput(**instance_options)
        ret = client.add_service([inp], full_return=True)

        if ret.meta.n_inserted:  # In case test already submitted
            compute_key = ret.data.ids[0]
            service = client.query_services(procedure_id=compute_key)[0]
            assert 'WAITING' in service['status']

        fractal_compute_server.await_services()
        assert len(fractal_compute_server.list_current_tasks()) == 0
        return ret.data