def test_potcar_from_file_node(potcar_family):
"""Create a PotcarIo instance from a PotcarFileData node."""
potcar_file_in = get_data_class('vasp.potcar_file').find_one(element='In')
from_ctor = PotcarIo(potcar_file_node=potcar_file_in)
verify_potcario(from_ctor)
from_from = PotcarIo.from_(potcar_file_in)
assert from_ctor == from_from
def test_potcar_from_node(potcar_family):
"""Create a PotcarIo instance from a PotcarData node."""
potcar_ga = get_data_class('vasp.potcar').find_one(element='Ga')
from_ctor = PotcarIo(potcar_node=potcar_ga)
verify_potcario(from_ctor)
from_from = PotcarIo.from_(potcar_ga)
assert from_ctor == from_from
def test_potcar_from_path(fresh_aiida_env):
"""Create a PotcarIo instance from a file path."""
potcar_path_as = data_path('potcar', 'As', 'POTCAR')
from_ctor = PotcarIo(path=potcar_path_as)
from_from = PotcarIo.from_(potcar_path_as)
verify_potcario(from_from)
assert from_ctor == from_from
def test_potcar_from_contents(potcar_family):
"""Create a PotcarIo from contents of a POTCAR file."""
contents_as = read_file('potcar', 'As', 'POTCAR')
from_ctor = PotcarIo(contents=contents_as.encode('utf-8'))
verify_potcario(from_ctor)
assert from_ctor.node.uuid == get_data_class('vasp.potcar').find_one(
element='As').uuid
from_from = PotcarIo.from_(contents_as)
assert from_ctor == from_from