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Fixed pre-commit
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Crivella committed Sep 19, 2020
1 parent 3c02dcd commit d9eea2d
Showing 1 changed file with 20 additions and 25 deletions.
45 changes: 20 additions & 25 deletions tests/calculations/test_pw2gw.py
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,7 @@
from aiida import orm
from aiida.common import datastructures


@pytest.fixture()
def parameters():
"""Fixture: parameters for pw calculation."""
Expand All @@ -22,7 +23,12 @@ def parameters():

return parameters

@pytest.fixture(params=[False,], ids=['base', ])

@pytest.fixture(params=[
False,
], ids=[
'base',
])
def settings(request):
"""Fixture: parameters for z2pack calculation."""
settings = {}
Expand All @@ -32,15 +38,19 @@ def settings(request):

return settings


@pytest.fixture
def remote(fixture_localhost, tmpdir, generate_remote_data):
"""Fixture: Remote folder created by a CalcJob with inputs."""
remote = generate_remote_data(
fixture_localhost, str(tmpdir), 'quantumespresso.pw',
)
fixture_localhost,
str(tmpdir),
'quantumespresso.pw',
)

return remote


@pytest.fixture()
def inputs(fixture_code, remote, parameters, settings):
"""Fixture: inputs for Z2packBaseWorkChain."""
Expand All @@ -57,17 +67,12 @@ def inputs(fixture_code, remote, parameters, settings):
}
return inputs


@pytest.mark.parametrize(
'settings,with_symlink',
[
(False, False),
(True, True)], ids=['base', 'with_symlink'
],
indirect=['settings']
)
'settings,with_symlink', [(False, False), (True, True)], ids=['base', 'with_symlink'], indirect=['settings']
)
def test_pw2gw_default(
aiida_profile, fixture_sandbox, generate_calc_job, tmpdir,
file_regression, remote, inputs, with_symlink
aiida_profile, fixture_sandbox, generate_calc_job, tmpdir, file_regression, remote, inputs, with_symlink
):
"""Test a default `Pw2gwCalculation`."""
entry_point_name = 'quantumespresso.pw2gw'
Expand All @@ -77,22 +82,12 @@ def test_pw2gw_default(
retrieve_list = ['aiida.out', 'epsX.dat', 'epsY.dat', 'epsZ.dat', 'epsTOT.dat']

remote_copy_list = [
(
remote.computer.uuid,
os.path.join(remote.get_remote_path(), path),
path
) for path in ['./pseudo/']
]
(remote.computer.uuid, os.path.join(remote.get_remote_path(), path), path) for path in ['./pseudo/']
]
remote_symlink_list = []

ptr = remote_copy_list if not with_symlink else remote_symlink_list
ptr.extend([
(
remote.computer.uuid,
os.path.join(remote.get_remote_path(), path),
path
) for path in ['./out/']
])
ptr.extend([(remote.computer.uuid, os.path.join(remote.get_remote_path(), path), path) for path in ['./out/']])

assert isinstance(calc_info, datastructures.CalcInfo)
assert sorted(calc_info.retrieve_list) == sorted(retrieve_list)
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