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"""Test reading/writing in ASE on pathlib objects"""
from pathlib import Path
import io
from ase.build import molecule
from ase.io import read, write
from ase.utils import PurePath, convert_string_to_fd, reader, writer
# Test reader/writer
teststr = 'Teststring!'
@writer
def mywrite(file, fdcmp=None):
assert isinstance(file, io.TextIOBase)
assert file.mode == 'w'
# Print something to the file
print(teststr, file=file)
# Check that we didn't change the fd
if fdcmp:
assert file is fdcmp
@reader
def myread(file, fdcmp=None):
assert isinstance(file, io.TextIOBase)
assert file.mode == 'r'
# Ensure we can read from file
line = next(file)
assert line.strip() == teststr
# Check that we didn't change the fd
if fdcmp:
assert file is fdcmp
def test_pathlib_support():
path = Path('tmp_plib_testdir')
# Test PurePath catches path
assert isinstance(path, PurePath)
path.mkdir(exist_ok=True)
myf = path / 'test.txt'
fd = convert_string_to_fd(myf)
assert isinstance(fd, io.TextIOBase)
fd.close()
fd = convert_string_to_fd(str(myf))
assert isinstance(fd, io.TextIOBase)
fd.close()
for f in [myf, str(myf)]:
myf.unlink() # Remove the file first
mywrite(f)
myread(f)
# Check reader, writer on open filestream
# Here, the filestream shouldn't be altered
with myf.open('w') as f:
mywrite(f, fdcmp=f)
with myf.open('r') as f:
myread(f, fdcmp=f)
# Check that we can read and write atoms with pathlib
atoms = molecule('H2', vacuum=5)
f2 = path / 'test2.txt'
for form in ['vasp', 'traj', 'xyz']:
write(f2, atoms, format=form)
read(f2, format=form)
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