Skip to content

Commit

Permalink
Makr nojump test as xfail for mda <=2.6.1
Browse files Browse the repository at this point in the history
  • Loading branch information
p-j-smith committed Sep 17, 2023
1 parent 53f6cac commit 6549191
Showing 1 changed file with 7 additions and 0 deletions.
7 changes: 7 additions & 0 deletions tests/test_transformations.py
Original file line number Diff line number Diff line change
Expand Up @@ -3,6 +3,7 @@
import MDAnalysis as mda
import numpy as np
from numpy.testing import assert_allclose
from packaging.specifiers import SpecifierSet
import pytest
from textual.widgets import (
Input,
Expand All @@ -17,6 +18,8 @@
transformations,
)

mda_min_version = SpecifierSet(">2.6.1")


@pytest.mark.asyncio()
async def test_translate(app, universe_filenames: tuple[pathlib.Path, pathlib.Path]):
Expand Down Expand Up @@ -147,6 +150,10 @@ async def test_unwrap(app, universe_filenames: tuple[pathlib.Path, pathlib.Path]
assert all(np.abs(atom_1_position - atom_2_position) < (u_unwrapped.dimensions[:3] / 2))


@pytest.mark.xfail(
mda.__version__ not in mda_min_version,
reason="bug in NoJump transformation is fixed in MDAnalysis >2.6.1",
)
@pytest.mark.asyncio()
async def test_nojump(app, universe_filenames: tuple[pathlib.Path, pathlib.Path]):
pdb, xtc = universe_filenames
Expand Down

0 comments on commit 6549191

Please sign in to comment.