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[Test] Add test for specifying non-reactant orders in CTI files
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imitrichev authored and speth committed Feb 27, 2016
1 parent 7e71645 commit a68cdec
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8 changes: 8 additions & 0 deletions interfaces/cython/cantera/test/test_convert.py
Original file line number Diff line number Diff line change
Expand Up @@ -390,3 +390,11 @@ def test_noninteger_atomicity(self):
gas = ct.Solution('../data/noninteger-atomicity.cti')
self.assertNear(gas.molecular_weights[gas.species_index('CnHm')],
10.65*gas.atomic_weight('C') + 21.8*gas.atomic_weight('H'))

def test_reaction_orders(self):
gas = ct.Solution('../data/reaction-orders.cti')
R = gas.reaction(0)
self.assertTrue(R.allow_nonreactant_orders)
self.assertNear(R.orders.get('OH'), 0.15)
self.assertTrue(R.allow_negative_orders)
self.assertNear(R.orders.get('H2'), -0.25)
23 changes: 23 additions & 0 deletions test/data/reaction-orders.cti
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@@ -0,0 +1,23 @@
# Input file to test use of non-reactant species

units(length = "cm", time = "s", quantity = "mol", act_energy = "kJ/mol")

ideal_gas(name = "gas",
elements = " O H ",
species = """gri30: H2 O2 H2O OH """,
reactions = "all",
initial_state = state(temperature = 300.0,
pressure = OneAtm) )

#-------------------------------------------------------------------------------
# Reactions data
#-------------------------------------------------------------------------------

#test negative orders and non-reactant orders
reaction("2 H2 + O2 => 2 H2O", [1e13, 0.0, 0.0],
order="H2:-0.25 OH:0.15",
options=['negative_orders', 'nonreactant_orders'])

#if uncomment, should throw an error
#reaction("2 H2 + O2 => 2 H2O", [1e13, 0.0, 0.0],
# order="OH:0.15")

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