[ck2yaml] Fixed #940 SRI parameter D,E cannot be written into yaml fi…

…le when they equal to zero (#941)

[ck2yaml] SRI parameter D,E cannot be written into yaml file when they equal zero

Fixes #940

Co-authored-by: Richard West <r.west@northeastern.edu>

interfaces/cython/cantera/ck2yaml.py

@@ -670,9 +670,9 @@ def __init__(self, *, A, B, C, D=None, E=None):
 
     def reduce(self, output):
         sri = FlowMap([('A', self.A), ('B', self.B), ('C', self.C)])
-        if self.D:
+        if self.D is not None:
             sri['D'] = self.D
-        if self.E:
+        if self.E is not None:
             sri['E'] = self.E
 
         output['SRI'] = sri

interfaces/cython/cantera/test/test_convert.py

@@ -477,7 +477,18 @@ def test_extra(self):
         self.assertEqual(desc, 'This is an alternative description.')
         for key in ['foo', 'bar']:
             self.assertIn(key, yml.keys())
-
+        # This test tests it can convert the SRI parameters when D or E equal to 0
+
+    def test_sri_zero(self):
+        self.convert('sri_convert_test.txt')
+        output = pjoin(self.test_work_dir, 'sri_convert_test' + self.ext)
+        with open(output, 'r') as f:
+            mech = yaml.safe_load(f)
+        D = mech['reactions'][0]['SRI']['D']
+        E = mech['reactions'][0]['SRI']['E']
+        self.assertEqual(D, 0)
+        self.assertEqual(E, 0)
+
     def test_duplicate_reactions(self):
         # Running a test this way instead of using the convertMech function
         # tests the behavior of the ck2yaml.main function and the mechanism

test/data/sri_convert_test.txt

@@ -0,0 +1,29 @@
+ELEMENTS
+H
+C
+END
+SPECIES
+H
+CH3
+CH4                       
+END
+THERMO ALL
+300.   1000.   3500. 
+CH3                     C   1H   3          G    300.00   3500.00 1270.00      1
+ 2.57723974e+00 6.62601164e-03-2.54906392e-06 4.67320141e-10-3.34867663e-14    2
+ 1.65488693e+04 6.94195966e+00 3.53327401e+00 3.61488008e-03 1.00739068e-06    3
+-1.39958516e-09 3.34014277e-13 1.63060366e+04 2.10113860e+00                   4
+CH4                     C   1H   4          G    300.00   3500.00 1070.00      1
+-2.82321416e-01 1.42739336e-02-6.77628877e-06 1.55380951e-09-1.39473841e-13    2
+-9.36383584e+03 2.03507024e+01 2.85765313e+00 2.53571100e-03 9.67916346e-06    3
+-8.69880870e-09 2.25599770e-12-1.00357904e+04 4.98969392e+00                   4
+H                       H   1               G    300.00   3500.00 1490.00      1
+ 2.50000000e+00 7.40336223e-15-5.56967416e-18 1.73924876e-21-1.92673709e-25    2
+ 2.54716200e+04-4.60117600e-01 2.50000000e+00-4.07455160e-15 5.98527266e-18    3
+-3.43074982e-21 6.74775716e-25 2.54716200e+04-4.60117600e-01                   4
+END
+REACTIONS
+H+CH3(+M)=CH4(+M)                                       1.2000e+15   -0.400         0.00
+ LOW/   6.40e+23     -1.800          0.0/
+ SRI/   0.4500  797.0000  979.0000  0.0000  0.0000/ 
+END