Starting a test suite for the new Python module

interfaces/cython/cantera/test/__init__.py

@@ -0,0 +1,4 @@
+from .test_thermo import *
+from .test_kinetics import *
+from .test_transport import *
+from .test_mixture import *

interfaces/cython/cantera/test/test_kinetics.py

@@ -0,0 +1,11 @@
+import unittest
+
+import cantera as ct
+from . import utilities
+
+class TestKinetics(utilities.CanteraTest):
+    def setUp(self):
+        self.phase = ct.Solution('h2o2.xml')
+
+    def test_nReactions(self):
+        self.assertEqual(self.phase.nReactions, 27)

interfaces/cython/cantera/test/test_mixture.py

@@ -0,0 +1,20 @@
+import unittest
+
+import cantera as ct
+from . import utilities
+
+class TestMixture(utilities.CanteraTest):
+    @classmethod
+    def setUpClass(cls):
+        cls.phase1 = ct.Solution('h2o2.xml')
+        cls.phase2 = ct.Solution('air.xml')
+
+    def test_properties(self):
+        mix = ct.Mixture([(self.phase1, 1.0), (self.phase2, 2.0)])
+        self.assertEqual(mix.nSpecies, self.phase1.nSpecies + self.phase2.nSpecies)
+
+        mix.temperature = 350
+        self.assertEqual(mix.temperature, 350)
+
+        mix.pressure = 2e5
+        self.assertEqual(mix.pressure, 2e5)

interfaces/cython/cantera/test/test_thermo.py

@@ -0,0 +1,29 @@
+import unittest
+import numpy as np
+
+import cantera as ct
+from . import utilities
+
+class TestThermoPhase(utilities.CanteraTest):
+    def setUp(self):
+        self.phase = ct.Solution('h2o2.xml')
+
+    def test_nSpecies(self):
+        self.assertEqual(self.phase.nSpecies, 9)
+
+    def test_setComposition(self):
+        X = np.zeros(self.phase.nSpecies)
+        X[2] = 1.0
+        self.phase.setMoleFractions(X)
+        Y = self.phase.massFractions
+
+        self.assertEqual(list(X), list(Y))
+
+    def test_badLength(self):
+        X = np.zeros(5)
+        with self.assertRaises(ValueError):
+            self.phase.setMoleFractions(X)
+
+    def test_getState(self):
+        self.assertNear(self.phase.pressure, ct.OneAtm)
+        self.assertNear(self.phase.temperature, 300)

interfaces/cython/cantera/test/test_transport.py

@@ -0,0 +1,11 @@
+import unittest
+
+import cantera as ct
+from . import utilities
+
+class TestTransport(utilities.CanteraTest):
+    def setUp(self):
+        self.phase = ct.Solution('h2o2.xml')
+
+    def test_viscosity(self):
+        self.assertTrue(self.phase.viscosity > 0.0)

interfaces/cython/cantera/test/utilities.py

@@ -0,0 +1,12 @@
+import numpy as np
+import unittest
+
+class CanteraTest(unittest.TestCase):
+    def assertNear(self, a, b, rtol=1e-8, atol=1e-12, msg=None):
+        cmp = 2 * abs(a - b)/(abs(a) + abs(b) + atol)
+        if cmp > rtol:
+            message = ('AssertNear: %.14g - %.14g = %.14g\n' % (a, b, a-b) +
+                       'Relative error of %10e exceeds rtol = %10e' % (cmp, rtol))
+            if msg:
+                message = msg + '\n' + message
+            self.fail(message)

interfaces/cython/setup.py.in

@@ -26,7 +26,7 @@ setup(name="Cantera",
       author="Raymond Speth",
       author_email="speth@mit.edu",
       url="http://code.google.com/p/cantera",
-      packages = ["cantera"],
+      packages = ["cantera", "cantera.test"],
       cmdclass = {'build_ext': build_ext},
       ext_modules = exts,
       package_data = {'cantera': dataFiles})