def test_23b():
subjects = Keywords()
subjects.add("qcdb", Keyword(keyword="scf_e_conv", default=5, validator=parsers.parse_convergence))
subjects.suggest("qcdb", "e_conv", 1.0e-6, 1234)
assert subjects.scroll["QCDB"]["SCF_E_CONV"].value == 1.0e-5
def test_21b():
subjects = Keywords()
with pytest.raises(qcdb.ValidationError):
subjects.require("qcdb", "mmry", "4 gb", 1234)
def test_22e():
subjects = Keywords()
subjects.add("qcdb", Keyword(keyword="memory", default="700 mb", validator=parsers.parse_memory))
assert subjects.scroll["QCDB"]["MEMORY"].value == 700000000
assert subjects.scroll["QCDB"]["MEMORY"].is_default() is True
def test_21a():
subjects = Keywords()
with pytest.raises(qcdb.ValidationError):
subjects.add("random", Keyword(keyword="memory", default="700 mb", validator=parsers.parse_memory))