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')