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def test_readwrite_errors():
import pytest
from io import StringIO
from ase.io import read, write
from ase.build import bulk
from ase.io.formats import UnknownFileTypeError
atoms = bulk('Au')
fd = StringIO()
with pytest.raises(UnknownFileTypeError):
write(fd, atoms, format='hello')
with pytest.raises(UnknownFileTypeError):
read(fd, format='hello')
def test_parse_filename_with_at_in_ext():
# parse filename with '@' in extension
from ase.io.formats import parse_filename
filename, index = parse_filename('file_name.traj@1:4:2')
assert filename == 'file_name.traj'
assert index == slice(1, 4, 2)
def test_parse_filename_with_at_in_path():
# parse filename with '@' in path, but not in name
from ase.io.formats import parse_filename
filename, index = parse_filename('user@local/filename.xyz')
assert filename == 'user@local/filename.xyz'
assert index is None
# this will not work if we allow flexible endings for databases
# and simultaneously allow files without extensions.
# i.e. `core@shell.xyz` can be both a filename and
# a query to database `core` with key `shell.xyz`
#
# def test_parse_filename_with_at_in_name():
# # parse filename with '@' in name
# from ase.io.formats import parse_filename
# filename, index = parse_filename('userlocal/file@name.xyz')
# assert filename == 'userlocal/file@name.xyz'
# assert index is None
def test_parse_filename_no_ext():
# parse filename with no extension
from ase.io.formats import parse_filename
filename, index = parse_filename('path.to/filename')
assert filename == 'path.to/filename'
assert index is None
def test_parse_filename_with_at_no_ext():
# parse filename with no extension but with @-slice
from ase.io.formats import parse_filename
filename, index = parse_filename('path.to/filename@1:4')
assert filename == 'path.to/filename'
assert index == slice(1, 4, None)
def test_parse_filename_bad_slice():
# parse filename with malformed @-slice
from ase.io.formats import parse_filename
import warnings
with warnings.catch_warnings(record=True) as w:
warnings.simplefilter('always')
filename, index = parse_filename('path.to/filename@s:4')
assert filename == 'path.to/filename'
assert len(w) == 1
assert 'Can not parse index' in str(w[-1].message)
def test_parse_filename_db_entry():
# parse filename targetting database entry
from ase.io.formats import parse_filename
filename, index = parse_filename('path.to/filename.db@anything')
assert filename == 'path.to/filename.db'
assert index == 'anything'
def test_parse_filename_do_not_split():
# check if do_not_split_by_at_sign flag works
from ase.io.formats import parse_filename
filename, index = parse_filename('user@local/file@name',
do_not_split_by_at_sign=True)
assert filename == 'user@local/file@name'
assert index is None
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