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celinelee
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python_fn_calls

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utils.random_string()
allure.step('Try to create the host config from non-json string')
pytest.raises(coreapi.exceptions.ErrorMessage)
client.host.config.history.create(host_id=host['id'], config=config)
allure.step('Check error config should not be just one string')
err.JSON_ERROR.equal(e, 'config should not be just one string')
test_shouldnt_create_host_config_when_config_is_number(self, client)
steps.create_host_w_default_provider(client, utils.random_string()
random.randint(100, 999)
allure.step('Try to create the host configuration with a number')
pytest.raises(coreapi.exceptions.ErrorMessage)
client.host.config.history.create(host_id=host['id'], config=config)
allure.step('Check error should not be just one int or float')
err.JSON_ERROR.equal(e, 'should not be just one int or float')
pytest.mark.parametrize(('config', 'error')
test_change_host_config_negative(self, host, config, error)
allure.step('Try to create config when parameter is not integer')
pytest.raises(coreapi.exceptions.ErrorMessage)
host.config_set(config)
allure.step(f'Check error {error}')
err.CONFIG_VALUE_ERROR.equal(e, error)
sdk_client_fs.upload_from_fs(get_data_dir(__file__, 'hostprovider_bundle')
bundle.provider_create(utils.random_string()
hp.host_create(utils.random_string()
host.config_set(config)
oslc("test.osl")
encode("idna")
service_kwargs_for_full_node_simulator(root_path: Path, config: Dict, bt: BlockTools)
mkdir(path_from_root(root_path, config["database_path"])
FullNodeSimulator(node, bt)
main()
load_config_cli(DEFAULT_ROOT_PATH, "config.yaml", SERVICE_NAME)
BlockTools(test_constants)
run_service(**kwargs)
freeze_support()
main()
extract_active_site(protein_file, ligand_file, cutoff=4)
len(ligand_coords)
len(protein_coords)
set([])
range(num_ligand_atoms)
range(num_protein_atoms)
np.linalg.norm(lig_atom - protein_atom)
pocket_atoms.union(set([protein_atom_ind])
size (n_pocket_atoms, 3)
list(pocket_atoms)
len(pocket_atoms)
np.zeros((n_pocket_atoms, 3)
enumerate(pocket_atoms)
int(np.floor(np.amin(pocket_coords[:, 0])
int(np.ceil(np.amax(pocket_coords[:, 0])
int(np.floor(np.amin(pocket_coords[:, 1])
int(np.ceil(np.amax(pocket_coords[:, 1])
int(np.floor(np.amin(pocket_coords[:, 2])
int(np.ceil(np.amax(pocket_coords[:, 2])
return (((x_min, x_max)
compute_overlap(mapping, box1, box2)
set(mapping[box1])
set(mapping[box2])
len(atom1.intersection(atom2)
float(len(atom1)
get_all_boxes(coords, pad=5)
TODO(rbharath)
ConvexHull(coords)
coordinates (convenience)
np.amin(points[:, 0])
np.amax(points[:, 0])
int(np.floor(x_min)
int(np.ceil(x_max)
np.amin(points[:, 1])
np.amax(points[:, 1])
int(np.floor(y_min)
int(np.ceil(y_max)
np.amin(points[:, 2])
np.amax(points[:, 2])
int(np.floor(z_min)
int(np.ceil(z_max)
boxes.append(((x_min, x_max)
boxes_to_atoms(atom_coords, boxes)
TODO(rbharath)
enumerate(boxes)
print("Handing box %d/%d" % (box_ind, len(boxes)
range(len(atom_coords)
box_atoms.append(atom_ind)
merge_boxes(box1, box2)
box1 (x_min2, x_max2)
min(x_min1, x_min2)
min(y_min1, y_min2)
min(z_min1, z_min2)
max(x_max1, x_max2)
max(y_max1, y_max2)
max(z_max1, z_max2)
return ((x_min, x_max)
merge_overlapping_boxes(mapping, boxes, threshold=.8)
TODO(rbharath)
len(boxes)
range(num_boxes)
compute_overlap(mapping, box, output_box)
compute_overlap(mapping, box, merge_box)
new_boxes.append(merge_box)