def test_22d():
subjects = RottenOptions()
subjects.add('qcdb', RottenOption(keyword='memory', default='700 mb', validator=parsers.parse_memory))
subjects.suggest('qcdb', 'memory', 4000000000, 12342345)
assert subjects.scroll['QCDB']['MEMORY'].value == 4000000000
assert subjects.scroll['QCDB']['MEMORY'].is_default() is False
def test_22a():
subjects = RottenOptions()
subjects.add('qcdb', RottenOption(keyword='memory', default='700 mb', validator=parsers.parse_memory))
subjects.require('qcdb', 'memory', 9000000000, 22342345)
subjects.suggest('qcdb', 'memory', 4000000000, 12342345)
subjects.require('qcdb', 'memory', '9 gb', '00000000')
assert subjects.scroll['QCDB']['MEMORY'].value == 9000000000
def test_22c():
subjects = RottenOptions()
subjects.add('qcdb', RottenOption(keyword='memory', default='700 mb', validator=parsers.parse_memory))
subjects.require('qcdb', 'memory', 9000000000, 22342345)
subjects.suggest('qcdb', 'memory', 4000000000, 12342345)
subjects.require('qcdb', 'memory', '8 gb', 555) # no user signal so trumps 2234
assert subjects.scroll['QCDB']['MEMORY'].value == 8000000000
assert subjects.scroll['QCDB']['MEMORY'].is_default() is False
def test_22b():
subjects = RottenOptions()
subjects.add('qcdb', RottenOption(keyword='memory', default='700 mb', validator=parsers.parse_memory))
subjects.require('qcdb', 'memory', 9000000000, 22342345)
subjects.suggest('qcdb', 'memory', 4000000000, 12342345)
subjects.require('qcdb', 'memory', '8 gb', '00000000')
with pytest.raises(qcdb.OptionReconciliationError):
assert subjects.scroll['QCDB']['MEMORY'].value == 8000000000
def test_23b():
subjects = RottenOptions()
subjects.add(
'qcdb',
RottenOption(keyword='scf_e_conv',
default=5,
validator=parsers.parse_convergence))
subjects.suggest('qcdb', 'e_conv', 1.e-6, 1234)
assert subjects.scroll['QCDB']['SCF_E_CONV'].value == 1.e-5