[Test] Add test for specifying non-reactant orders in CTI files
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@ -390,3 +390,11 @@ class CtmlConverterTest(utilities.CanteraTest):
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gas = ct.Solution('../data/noninteger-atomicity.cti')
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self.assertNear(gas.molecular_weights[gas.species_index('CnHm')],
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10.65*gas.atomic_weight('C') + 21.8*gas.atomic_weight('H'))
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def test_reaction_orders(self):
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gas = ct.Solution('../data/reaction-orders.cti')
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R = gas.reaction(0)
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self.assertTrue(R.allow_nonreactant_orders)
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self.assertNear(R.orders.get('OH'), 0.15)
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self.assertTrue(R.allow_negative_orders)
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self.assertNear(R.orders.get('H2'), -0.25)
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23
test/data/reaction-orders.cti
Normal file
23
test/data/reaction-orders.cti
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@ -0,0 +1,23 @@
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# Input file to test use of non-reactant species
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units(length = "cm", time = "s", quantity = "mol", act_energy = "kJ/mol")
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ideal_gas(name = "gas",
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elements = " O H ",
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species = """gri30: H2 O2 H2O OH """,
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reactions = "all",
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initial_state = state(temperature = 300.0,
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pressure = OneAtm) )
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#-------------------------------------------------------------------------------
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# Reactions data
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#-------------------------------------------------------------------------------
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#test negative orders and non-reactant orders
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reaction("2 H2 + O2 => 2 H2O", [1e13, 0.0, 0.0],
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order="H2:-0.25 OH:0.15",
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options=['negative_orders', 'nonreactant_orders'])
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#if uncomment, should throw an error
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#reaction("2 H2 + O2 => 2 H2O", [1e13, 0.0, 0.0],
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# order="OH:0.15")
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