def test_simple_reactor_mole_fractions_ranged(self):
"""Test that SimpleReactor ranged mole fractions are not normalized"""
inp.simple_reactor(
temperature=[(1000, 'K'), (2000, 'K')],
pressure=[(1, 'atm'), (10, 'atm')],
initialMoleFractions={
'A': [5, 8],
'B': 3,
'C': 2,
},
terminationTime=(1, 's'),
)
global rmg
reactor = rmg.reaction_systems[0]
self.assertEqual(reactor.initial_mole_fractions['A'], [5, 8])
self.assertEqual(reactor.initial_mole_fractions['B'], 3)
self.assertEqual(reactor.initial_mole_fractions['C'], 2)
def test_simple_reactor_mole_fractions(self):
"""Test that SimpleReactor mole fractions are set properly"""
inp.simple_reactor(
temperature=(1000, 'K'),
pressure=(1, 'atm'),
initialMoleFractions={
'A': 0.5,
'B': 0.3,
'C': 0.2,
},
terminationTime=(1, 's'),
)
global rmg
reactor = rmg.reaction_systems[0]
self.assertEqual(reactor.initial_mole_fractions['A'], 0.5)
self.assertEqual(reactor.initial_mole_fractions['B'], 0.3)
self.assertEqual(reactor.initial_mole_fractions['C'], 0.2)
def test_simple_reactor_mole_fractions_normalize_2(self, mock_logging):
"""Test that SimpleReactor mole fractions are normalized properly"""
inp.simple_reactor(
temperature=[(1000, 'K'), (2000, 'K')],
pressure=[(1, 'atm'), (10, 'atm')],
initialMoleFractions={
'A': 5,
'B': 3,
'C': 2,
},
terminationTime=(1, 's'),
)
global rmg
reactor = rmg.reaction_systems[0]
self.assertEqual(reactor.initial_mole_fractions['A'], 0.5)
self.assertEqual(reactor.initial_mole_fractions['B'], 0.3)
self.assertEqual(reactor.initial_mole_fractions['C'], 0.2)
mock_logging.warning.assert_called_with(
'Initial mole fractions do not sum to one; normalizing.')
