def test_mb_sampled_reactor_mole_fractions(self):
"""Test that MBSampledReactor mole fractions are set properly"""
inp.mb_sampled_reactor(
temperature=(1000, 'K'),
pressure=(1, 'atm'),
initialMoleFractions={
'A': 0.5,
'B': 0.3,
'C': 0.2,
},
mbsamplingRate=3500,
terminationTime=(1, 's'),
constantSpecies=['B', 'C'],
)
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_mb_sampled_reactor_mole_fractions_normalize_1(self, mock_logging):
"""Test that MBSampledReactor mole fractions are normalized properly"""
inp.mb_sampled_reactor(
temperature=(1000, 'K'),
pressure=(1, 'atm'),
initialMoleFractions={
'A': 5,
'B': 3,
'C': 2,
},
mbsamplingRate=3500,
terminationTime=(1, 's'),
constantSpecies=['B', 'C'],
)
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.')