def test_nofilematch(self):
with pytest.raises(ValueError, match="No file has been matched to"):
> ABFE(
dir="./",
prefix="dhdl",
suffix="xvg",
T=310,
)
Which is fine it's own sense but will try to search through all the subfolders in dir="./". So if you run it in your root path '~', it will try to access all the files which might annoy some security people. Once I had time should make a temp dir for this test.
The current test is
Which is fine it's own sense but will try to search through all the subfolders in dir="./". So if you run it in your root path '~', it will try to access all the files which might annoy some security people. Once I had time should make a temp dir for this test.