Source code for ase2sprkkr.asr.test.test_setup_decorate
import pytest
from ase.build import bulk
Si = bulk('Si')
[docs]
@pytest.mark.ci
def test_setup_decorate_si(asr_tmpdir_w_params, mockgpaw):
from asr.setup.decorate import main
from ase.io import write
from ase.db import connect
from pathlib import Path
write('structure.json', Si)
main(atoms='structure.json')
assert Path('decorated.db').is_file()
db = connect('decorated.db')
db.get('Ge')