def test_returns_requested_file(self):
path = "./files/bulk_water/classical"
suffix = "pdb"
prefix = "revPBE0-D3-w64-T300K-1bar"
file_name = utils.get_path_to_file(path, suffix, prefix)
assert file_name == os.path.join(path, "revPBE0-D3-w64-T300K-1bar.pdb")
def test_returns_all_files_with_same_suffix(self):
path = "./files/bulk_water/classical"
suffix = "pdb"
file_names = utils.get_path_to_file(path, suffix)
assert file_names == [
os.path.join(path, "PBE-D3-bnnt-w68-T330K-1bar.pdb"),
os.path.join(path, "PBE-D3-cnt-w65-T330K-1bar.pdb"),
os.path.join(path, "revPBE0-D3-w64-T300K-1bar.pdb"),
]
def test_returns_all_files_containing_same_string_in_prefix(self):
path = "./files/bulk_water/classical"
suffix = "pdb"
prefix = "T330K"
file_names = utils.get_path_to_file(path, suffix, prefix, exact_match=False)
assert file_names == [
os.path.join(path, "PBE-D3-bnnt-w68-T330K-1bar.pdb"),
os.path.join(path, "PBE-D3-cnt-w65-T330K-1bar.pdb"),
]
def test_raises_error_when_path_not_found(self):
path = "./files/bulk_water/classical"
suffix = "random_suffix"
with pytest.raises(utils.UnableToFindFile):
utils.get_path_to_file(path, suffix)