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# fmt: off
import io
import pytest
from ase import Atoms
from ase.calculators.calculator import compare_atoms
from ase.db import connect
from ase.db.app import DatabaseProject
from ase.db.cli import check_jsmol
from ase.db.web import Session
from ase.io import read
projectname = 'db-web-test-project'
def get_atoms():
atoms = Atoms('H2O',
[(0, 0, 0),
(2, 0, 0),
(1, 1, 0)])
atoms.center(vacuum=5)
atoms.set_pbc(True)
return atoms
@pytest.fixture(scope='module')
def database(tmp_path_factory):
dbtestdir = tmp_path_factory.mktemp('dbtest')
db = connect(dbtestdir / 'test.db', append=False)
x = [0, 1, 2]
t1 = [1, 2, 0]
t2 = [[2, 3], [1, 1], [1, 0]]
atoms = get_atoms()
db.write(atoms,
foo=42.0,
bar='abc',
data={'x': x,
't1': t1,
't2': t2})
db.write(atoms)
return db
@pytest.fixture(scope='module')
def client(database):
pytest.importorskip('flask')
from ase.db.app import DBApp
dbapp = DBApp()
dbapp.add_project(projectname, database)
app = dbapp.flask
app.testing = True
return app.test_client()
def test_add_columns(database):
"""Test that all keys can be added also for row withous keys."""
pytest.importorskip('flask')
session = Session('name')
project = DatabaseProject.dummyproject(
default_columns=['bar'])
session.update('query', '', {'query': 'id=2'}, project)
table = session.create_table(database, 'id', ['foo'])
assert table.columns == ['bar'] # selected row doesn't have a foo key
assert 'foo' in table.addcolumns # ... but we can add it
def test_favicon(client):
# no content or redirect
assert client.get('/favicon.ico').status_code in (204, 308)
assert client.get('/favicon.ico/').status_code == 204 # no content
def test_db_web(client):
c = client
page = c.get('/').data.decode()
sid = Session.next_id - 1
assert 'foo' in page
for url in [f'/update/{sid}/query/bla/?query=id=1',
f'/{projectname}/row/1']:
resp = c.get(url)
assert resp.status_code == 200
for type in ['json', 'xyz', 'cif']:
url = f'atoms/{projectname}/1/{type}'
resp = c.get(url)
assert resp.status_code == 200
txt = resp.data.decode()
print(type)
print(txt)
fmt = type
if fmt == 'xyz':
fmt = 'extxyz'
atoms = read(io.StringIO(txt), format=fmt)
assert (atoms.numbers == [1, 1, 8]).all()
tol = 1e-5 if type == 'cif' else 1e-10
assert not compare_atoms(atoms, get_atoms(), tol), type
def test_paging(database):
"""Test paging."""
pytest.importorskip('flask')
session = Session('name')
project = DatabaseProject.dummyproject(
default_columns=['bar'])
session.update('query', '', {'query': ''}, project)
table = session.create_table(database, 'id', ['foo'])
assert len(table.rows) == 2
assert session.nrows == 2
assert session.nrows_total == 2
session.update('limit', '1', {}, project)
session.update('page', '1', {}, project)
table = session.create_table(database, 'id', ['foo'])
assert len(table.rows) == 1
# We are now on page 2 and select something on page 1:
session.update('query', '', {'query': 'id=1'}, project)
table = session.create_table(database, 'id', ['foo'])
assert len(table.rows) == 1
assert session.nrows == 1
assert session.nrows_total == 2
def test_check_jsmol():
check_jsmol()
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