From d1e2459280f2b8de6288815f212d4ad8f53ace5d Mon Sep 17 00:00:00 2001
From: bangshiuh <bangshiuh.chen@gmail.com>
Date: Tue, 14 Dec 2021 18:39:53 -0500
Subject: [PATCH] [test] add ETempRateTest and add TestETemp

---
 .../cython/cantera/test/test_reaction.py      | 61 +++++++++++++++++++
 test/data/kineticsfromscratch.yaml            |  3 +
 2 files changed, 64 insertions(+)

diff --git a/interfaces/cython/cantera/test/test_reaction.py b/interfaces/cython/cantera/test/test_reaction.py
index a7c42f4f94e..a49580695d1 100644
--- a/interfaces/cython/cantera/test/test_reaction.py
+++ b/interfaces/cython/cantera/test/test_reaction.py
@@ -133,6 +133,7 @@ def setUpClass(cls):
         cls.gas = ct.Solution("kineticsfromscratch.yaml")
         cls.gas.X = "H2:0.1, H2O:0.2, O2:0.7, O:1e-4, OH:1e-5, H:2e-5"
         cls.gas.TP = 900, 2*ct.one_atm
+        cls.gas.Te = 2300
 
     def from_parts(self):
         # create reaction rate object from parts
@@ -285,6 +286,43 @@ def test_negative_A(self):
         self.assertTrue(rate.allow_negative_pre_exponential_factor)
 
 
+class TestETempRate(ReactionRateTests, utilities.CanteraTest):
+    # test ETemp rate expressions
+
+    _cls = ct.ETempRate
+    _type = "electron-temperature"
+    _index = 11
+    _input = {"rate-constant": {"A": 17283, "b": -3.1, "Ea_T": -5820000, "Ea_Te": 1081000}}
+    _yaml = """
+        type: electron-temperature
+        rate-constant: {A: 17283, b: -3.1, Ea_T: -5820 J/mol, Ea_Te: 1081 J/mol}
+        """
+
+    @classmethod
+    def setUpClass(cls):
+        ReactionRateTests.setUpClass()
+        cls._parts = cls._input["rate-constant"]
+
+    def eval(self, rate):
+        # check evaluation as a function of temperature and electron temperature
+        return rate(self.gas.T, self.gas.Te)
+
+    def test_from_parts(self):
+        rate = self.from_parts()
+        self.assertEqual(self._parts["A"], rate.pre_exponential_factor)
+        self.assertEqual(self._parts["b"], rate.temperature_exponent)
+        self.assertAlmostEqual(self._parts["Ea_T"], rate.activation_energy)
+        self.assertAlmostEqual(self._parts["Ea_Te"], rate.activation_electron_energy)
+        self.check_rate(rate)
+
+    def test_negative_A(self):
+        # test reaction rate property
+        rate = self.from_parts()
+        self.assertFalse(rate.allow_negative_pre_exponential_factor)
+        rate.allow_negative_pre_exponential_factor = True
+        self.assertTrue(rate.allow_negative_pre_exponential_factor)
+
+
 class FalloffRateTests(ReactionRateTests):
     # test Falloff rate expressions
     _n_data = [0] # list of valid falloff coefficient array lengths
@@ -886,6 +924,29 @@ def test_efficiencies(self):
         self.assertEqual(rxn.default_efficiency, 0.)
 
 
+class TestETemp(ReactionTests, utilities.CanteraTest):
+    # test electron-temperature reaction
+
+    _cls = ct.ETempReaction
+    _type = "electron-temperature"
+    _equation = "O + H <=> O + H"
+    _rate = {"A": 17283, "b": -3.1, "Ea_T": -5820000, "Ea_Te": 1081000}
+    _index = 11
+    _yaml = """
+        equation: O + H <=> O + H
+        type: electron-temperature
+        rate-constant: {A: 17283, b: -3.1, Ea_T: -5820 J/mol, Ea_Te: 1081 J/mol}
+        """
+
+    @classmethod
+    def setUpClass(cls):
+        ReactionTests.setUpClass()
+        cls._rate_obj = ct.ETempRate(**cls._rate)
+
+    def eval_rate(self, rate):
+        return rate(self.gas.T, self.gas.Te)
+
+
 class TestBlowersMasel(ReactionTests, utilities.CanteraTest):
     # test updated version of Blowers-Masel reaction
 
diff --git a/test/data/kineticsfromscratch.yaml b/test/data/kineticsfromscratch.yaml
index 2b873616d82..59377689e63 100644
--- a/test/data/kineticsfromscratch.yaml
+++ b/test/data/kineticsfromscratch.yaml
@@ -80,3 +80,6 @@ reactions:
   type: chemically-activated
   high-P-rate-constant: [5.88E-14, 6.721, -3022.227]
   low-P-rate-constant: [282320.078, 1.46878, -3270.56495]
+- equation: O + H <=> O + H  # Reaction 12
+  type: electron-temperature
+  rate-constant: {A: 17283, b: -3.1, Ea_T: -5820 J/mol, Ea_Te: 1081 J/mol}
\ No newline at end of file