File: test_bad_restart.py

package info (click to toggle)
python-ase 3.26.0-2
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 15,484 kB
  • sloc: python: 148,112; xml: 2,728; makefile: 110; javascript: 47
file content (16 lines) | stat: -rw-r--r-- 341 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
# fmt: off
import pytest

from ase import Atoms
from ase.optimize import BFGS, RestartError


@pytest.mark.optimize()
def test_bad_restart(testdir):
    fname = 'tmp.dat'

    with open(fname, 'w') as fd:
        fd.write('hello world\n')

    with pytest.raises(RestartError, match='Could not decode'):
        BFGS(Atoms(), restart=fname)