def test_pseudos(get_pseudo_potential_data):
"""Test the `PseudoPotentialFamily.pseudos` property."""
pseudos = {
'Ar': get_pseudo_potential_data('Ar').store(),
'He': get_pseudo_potential_data('He').store(),
}
family = PseudoPotentialFamily(label='label').store()
family.add_nodes(list(pseudos.values()))
assert family.pseudos == pseudos
def test_pseudo_type(get_pseudo_potential_data):
"""Test ``PseudoPotentialFamily.pseudo_type`` property."""
family = PseudoPotentialFamily(label='label').store()
assert family.pseudo_type is None
pseudo = get_pseudo_potential_data('Ar').store()
family.add_nodes((pseudo,))
assert family.pseudo_type == pseudo.get_entry_point_name()
family.clear()
assert family.pseudo_type is None
family.add_nodes((pseudo,))
assert family.pseudo_type == pseudo.get_entry_point_name()
family.remove_nodes(pseudo)
assert family.pseudo_type is None
def test_add_nodes(get_pseudo_family, get_pseudo_potential_data):
"""Test that `PseudoPotentialFamily.add_nodes` method."""
family = get_pseudo_family(elements=('Rn',))
assert family.count() == 1
pseudos = get_pseudo_potential_data('Ar').store()
family.add_nodes(pseudos)
assert family.count() == 2
pseudos = (get_pseudo_potential_data('Ne').store(),)
family.add_nodes(pseudos)
assert family.count() == 3
pseudos = (get_pseudo_potential_data('He').store(), get_pseudo_potential_data('Kr').store())
family.add_nodes(pseudos)
assert family.count() == 5
# Test for an unstored family
family = PseudoPotentialFamily(label='label')
with pytest.raises(exceptions.ModificationNotAllowed):
family.add_nodes(pseudos)