[test] moved to test_data_path fixture where possible and changed sma…

…ll test classes to pytest-style tests

test/python/conftest.py

@@ -98,8 +98,6 @@ def test_work_path(request, cantera_setup):
     # Assign to the test class
     request.cls.test_work_path = work_path
     request.cls.using_tempfile = using_tempfile
-    request.cls.test_data_path = TEST_DATA_PATH
-    request.cls.cantera_data_path = CANTERA_DATA_PATH
 
     yield
 

test/python/test_composite.py

@@ -163,27 +163,23 @@ def test_pickle_interface(self):
                 pickle.dump(interface, pkl)
 
 
-class TestEmptyThermoPhase:
-    """ Test empty Solution object """
-
-    @pytest.fixture
-    def empty_thermo_phase(self):
-        return ct.ThermoPhase()
-
-    def test_empty_report(self, empty_thermo_phase):
-        with pytest.raises(NotImplementedError):
-            empty_thermo_phase()
+@pytest.fixture(params=[ct.ThermoPhase(), ct.Solution()])
+def empty_object(request):
+    return request.param
 
-    def test_empty_TP(self, empty_thermo_phase):
+def test_empty_report(empty_object):
         with pytest.raises(NotImplementedError):
-            empty_thermo_phase.TP = 300, ct.one_atm
+            empty_object()
 
-    def test_empty_equilibrate(self, empty_thermo_phase):
-        with pytest.raises(NotImplementedError):
-            empty_thermo_phase.equilibrate("TP")
+def test_empty_TP(empty_object):
+    with pytest.raises(NotImplementedError):
+        empty_object.TP = 300, ct.one_atm
 
+def test_empty_equilibrate(empty_object):
+    with pytest.raises(NotImplementedError):
+        empty_object.equilibrate("TP")
 
-@pytest.fixture(scope='function')
+@pytest.fixture
 def empty_solution():
     return ct.Solution()
 
@@ -793,18 +789,15 @@ def test_legacy_hdf_multidim(self, test_data_path):
     @pytest.mark.skipif("native" not in ct.hdf_support(),
                         reason="Cantera compiled without HDF support")
     @pytest.mark.filterwarnings("ignore:.*legacy HDF.*:UserWarning")
-    def test_legacy_hdf(self):
-        self.run_legacy_hdf()
-
-    def run_legacy_hdf(self, legacy=False):
+    def test_legacy_hdf(self, test_data_path, legacy=False):
         # recreate states used to create legacy HDF file (valid portion)
         extra = {'foo': range(7), 'bar': range(7)}
         meta = {'spam': 'eggs', 'hello': 'world'}
         states = ct.SolutionArray(self.gas, 7, extra=extra, meta=meta)
         states.TPX = np.linspace(300, 1000, 7), 2e5, 'H2:0.5, O2:0.4'
         states.equilibrate('HP')
 
-        infile = self.test_data_path / f"solutionarray_fancy_legacy.h5"
+        infile = test_data_path / f"solutionarray_fancy_legacy.h5"
         b = ct.SolutionArray(self.gas)
         attr = b.restore(infile, "group0")
         assert states.T == approx(b.T)
@@ -819,15 +812,12 @@ def run_legacy_hdf(self, legacy=False):
     @pytest.mark.skipif("native" not in ct.hdf_support(),
                         reason="Cantera compiled without HDF support")
     @pytest.mark.filterwarnings("ignore:.*legacy HDF.*:UserWarning")
-    def test_read_legacy_hdf_no_norm(self):
-        self.run_read_legacy_hdf_no_norm()
-
-    def run_read_legacy_hdf_no_norm(self, legacy=False):
+    def test_read_legacy_hdf_no_norm(self, test_data_path, legacy=False):
         # recreate states used to create legacy HDF file
         self.gas.set_unnormalized_mole_fractions(np.full(self.gas.n_species, 0.3))
         states = ct.SolutionArray(self.gas, 5)
 
-        infile = self.test_data_path / "solutionarray_no_norm_legacy.h5"
+        infile = test_data_path / "solutionarray_no_norm_legacy.h5"
 
         b = ct.SolutionArray(self.gas)
         if legacy:
@@ -841,14 +831,14 @@ def run_read_legacy_hdf_no_norm(self, legacy=False):
     @pytest.mark.skipif("native" not in ct.hdf_support(),
                         reason="Cantera compiled without HDF support")
     @pytest.mark.filterwarnings("ignore:.*legacy HDF.*:UserWarning")
-    def test_import_no_norm_water(self):
+    def test_import_no_norm_water(self, test_data_path):
         # recreate states used to create legacy HDF file
         w = ct.Water()
         w.TQ = 300, 0.5
         states = ct.SolutionArray(w, 5)
 
         w_new = ct.Water()
-        infile = self.test_data_path / "solutionarray_water_legacy.h5"
+        infile = test_data_path / "solutionarray_water_legacy.h5"
         c = ct.SolutionArray(w_new)
         c.restore(infile, "group0")
         assert states.T == approx(c.T, rel=1e-7)

test/python/test_convert.py

@@ -5,15 +5,16 @@
 import pytest
 from pytest import approx
 
-
 import cantera as ct
 from cantera import ck2yaml, cti2yaml, ctml2yaml, yaml2ck, lxcat2yaml
 from utilities import load_yaml
 
+
 class Testck2yaml:
     @pytest.fixture(autouse=True)
-    def inject_fixtures(self, capsys):
+    def inject_fixtures(self, capsys, test_data_path):
         self._capsys = capsys
+        self.test_data_path = test_data_path
 
     def convert(self, inputFile, thermo=None, transport=None,
                 surface=None, output=None, quiet=True, extra=None, **kwargs):
@@ -780,6 +781,10 @@ class Testyaml2ck:
     """Test yaml2ck by converting to CK then back to YAML to read with Cantera."""
     ext: str = "-from-yaml2ck.yaml"
 
+    @pytest.fixture(autouse=True)
+    def inject_fixtures(self, test_data_path):
+        self.test_data_path = test_data_path
+
     def _convert_to_ck(
         self,
         input_file: Path,
@@ -1079,6 +1084,11 @@ def test_multi_line_notes(self):
 
 
 class Testcti2yaml:
+
+    @pytest.fixture(autouse=True)
+    def inject_fixtures(self, test_data_path):
+        self.test_data_path = test_data_path
+
     def convert(self, basename, src_dir=None, encoding=None):
         if src_dir is None:
             src_dir = self.test_data_path
@@ -1301,6 +1311,11 @@ def test_nonreactant_orders(self):
 
 
 class Testctml2yaml:
+
+    @pytest.fixture(autouse=True)
+    def inject_fixtures(self, test_data_path):
+        self.test_data_path = test_data_path
+
     def convert(self, basename, src_dir=None):
         if src_dir is None:
             src_dir = self.test_data_path
@@ -1658,6 +1673,11 @@ def test_duplicate_section_ids(self):
             self.convert("duplicate-reactionData-ids")
 
 class Testlxcat2yaml:
+
+    @pytest.fixture(autouse=True)
+    def inject_fixtures(self, test_data_path):
+        self.test_data_path = test_data_path
+
     def convert(self, inputFile=None, database=None, mechFile=None, phase=None,
                 insert=True, output=None):
         if inputFile is not None:

test/python/test_equilibrium.py

@@ -167,7 +167,7 @@ class TestKOH_Equil:
     Test roughly based on examples/multiphase/plasma_equilibrium.py
     """
 
-    def test_equil_TP(self):
+    def test_equil_TP(self, test_data_path):
         temperatures = range(350, 5000, 300)
         data = np.zeros((len(temperatures), self.mix.n_species+1))
         data[:,0] = temperatures
@@ -184,10 +184,10 @@ def test_equil_TP(self):
         # VCS solver extrapolating thermo polynomials outside of their valid range. See
         # https://github.com/Cantera/cantera/issues/270. The results show ice at
         # temperatures of over 1000 K, and liquid water for temperatures of 2000-5000 K.
-        compare(data, self.test_data_path / "koh-equil-TP.csv")
+        compare(data, test_data_path / "koh-equil-TP.csv")
 
     @pytest.mark.slow_test
-    def test_equil_HP(self):
+    def test_equil_HP(self, test_data_path):
         temperatures = range(350, 5000, 300)
         data = np.zeros((len(temperatures), self.mix.n_species+2))
         data[:,0] = temperatures
@@ -208,7 +208,7 @@ def test_equil_HP(self):
             data[i,1] = self.mix.T # equilibrated temperature
             data[i,2:] = self.mix.species_moles
 
-        compare(data, self.test_data_path / "koh-equil-HP.csv")
+        compare(data, test_data_path / "koh-equil-HP.csv")
 
 
 @pytest.fixture(scope='function')
@@ -223,6 +223,10 @@ def carbon_equil(request):
 class TestEquil_GasCarbon:
     "Test roughly based on examples/multiphase/adiabatic.py"
 
+    @pytest.fixture(autouse=True)
+    def inject_fixtures(self, test_data_path):
+        self.test_data_path = test_data_path
+
     def solve(self, solver, **kwargs):
         n_points = 12
         T = 300

test/python/test_kinetics.py

@@ -912,7 +912,7 @@ class TestSofcKinetics:
     """ Test based on sofc.py """
     _mech = "sofc.yaml"
 
-    def test_sofc(self):
+    def test_sofc(self, test_data_path):
         mech = self._mech
         T = 1073.15  # T in K
         P = ct.one_atm
@@ -1010,14 +1010,14 @@ def cathode_curr(E):
                              cathode_bulk.electric_potential -
                              anode_bulk.electric_potential])
 
-        compare(data, self.test_data_path / "sofc-test.csv", rtol=1e-7)
+        compare(data, test_data_path / "sofc-test.csv", rtol=1e-7)
 
 
 class TestLithiumIonBatteryKinetics:
     """ Test based on lithium_ion_battery.py """
     _mech = "lithium_ion_battery.yaml"
 
-    def test_lithium_ion_battery(self):
+    def test_lithium_ion_battery(self, test_data_path):
         mech = self._mech
         samples = 11
         soc = np.linspace(0., 1., samples)  # [-] Input state of charge (0...1)
@@ -1103,7 +1103,7 @@ def cathode_current(phi_s, phi_l, X_Li_cathode):
             data.append(phi_s_cathode - phi_s_anode)
 
         data = np.array(data).ravel()
-        ref = np.genfromtxt(self.test_data_path / "lithium-ion-battery-test.csv")
+        ref = np.genfromtxt(test_data_path / "lithium-ion-battery-test.csv")
         assert data == approx(ref, rel=1e-7)
 
     def test_interface_current(self):

test/python/test_onedim.py

@@ -807,10 +807,10 @@ def test_write_csv(self):
     @pytest.mark.filterwarnings("ignore:.*legacy HDF.*:UserWarning")
     @pytest.mark.skipif("native" not in ct.hdf_support(),
                         reason="Cantera compiled without HDF support")
-    def test_restore_legacy_hdf(self):
+    def test_restore_legacy_hdf(self, test_data_path):
         # Legacy input file was created using the Cantera 2.6 Python test suite:
         # - restore_legacy.h5 -> test_onedim.py::TestFreeFlame::test_write_hdf
-        filename = self.test_data_path / f"freeflame_legacy.h5"
+        filename = test_data_path / f"freeflame_legacy.h5"
 
         self.run_mix(phi=1.1, T=350, width=2.0, p=2.0, refine=False)
         desc = 'mixture-averaged simulation'
@@ -976,7 +976,7 @@ def solve_mix(self, ratio=3.0, slope=0.1, curve=0.12, prune=0.0):
         assert self.sim.transport_model == 'mixture-averaged'
 
     @pytest.mark.slow_test
-    def test_mixture_averaged(self, saveReference=False):
+    def test_mixture_averaged(self, test_data_path, saveReference=False):
         referenceFile = "DiffusionFlameTest-h2-mix.csv"
         self.create_sim(p=ct.one_atm)
         self.sim.set_initial_guess()
@@ -998,11 +998,11 @@ def test_mixture_averaged(self, saveReference=False):
         if saveReference:
             np.savetxt(referenceFile, data, '%11.6e', ', ')
         else:
-            bad = compareProfiles(self.test_data_path / referenceFile, data,
+            bad = compareProfiles(test_data_path / referenceFile, data,
                                             rtol=1e-2, atol=1e-8, xtol=1e-2)
             assert not bad, bad
 
-    def test_auto(self, saveReference=False):
+    def test_auto(self, test_data_path, saveReference=False):
         referenceFile = "DiffusionFlameTest-h2-auto.csv"
         self.create_sim(p=ct.one_atm, mdot_fuel=2, mdot_ox=3)
 
@@ -1037,7 +1037,7 @@ def time_step_func(dt):
         if saveReference:
             np.savetxt(referenceFile, data, '%11.6e', ', ')
         else:
-            bad = compareProfiles(self.test_data_path / referenceFile, data,
+            bad = compareProfiles(test_data_path / referenceFile, data,
                                             rtol=1e-2, atol=1e-8, xtol=1e-2)
             assert not bad, bad
 
@@ -1091,7 +1091,7 @@ def test_restart(self):
         assert self.sim.T[0] == approx(self.sim.fuel_inlet.T, rel=1e-4)
         assert mdot[-1] == approx(-self.sim.oxidizer_inlet.mdot, rel=1e-4)
 
-    def test_mixture_averaged_rad(self, saveReference=False):
+    def test_mixture_averaged_rad(self, test_data_path, saveReference=False):
         referenceFile = "DiffusionFlameTest-h2-mix-rad.csv"
         self.create_sim(p=ct.one_atm)
         self.sim.set_initial_guess()
@@ -1120,7 +1120,7 @@ def test_mixture_averaged_rad(self, saveReference=False):
         if saveReference:
             np.savetxt(referenceFile, data, '%11.6e', ', ')
         else:
-            bad = compareProfiles(self.test_data_path / referenceFile, data,
+            bad = compareProfiles(test_data_path / referenceFile, data,
                                             rtol=1e-2, atol=1e-8, xtol=1e-2)
             assert not bad, bad
 
@@ -1368,7 +1368,7 @@ class TestCounterflowPremixedFlame:
         the ones in test/data and replace them if needed.
     """
 
-    def test_mixture_averaged(self, saveReference=False):
+    def test_mixture_averaged(self, test_data_path, saveReference=False):
         T_in = 373.0  # inlet temperature
         comp = 'H2:1.6, O2:1, AR:7'  # premixed gas composition
 
@@ -1407,7 +1407,7 @@ def test_mixture_averaged(self, saveReference=False):
         if saveReference:
             np.savetxt(referenceFile, data, '%11.6e', ', ')
         else:
-            bad = compareProfiles(self.test_data_path / referenceFile, data,
+            bad = compareProfiles(test_data_path / referenceFile, data,
                                             rtol=1e-2, atol=1e-8, xtol=1e-2)
             assert not bad, bad
 
@@ -1487,7 +1487,7 @@ class TestCounterflowPremixedFlameNonIdeal:
         the ones in test/data and replace them if needed.
     """
 
-    def test_mixture_averaged(self, saveReference=False):
+    def test_mixture_averaged(self, test_data_path, saveReference=False):
         T_in = 373.0  # inlet temperature
         comp = 'H2:1.6, O2:1, AR:7'  # premixed gas composition
 
@@ -1526,7 +1526,7 @@ def test_mixture_averaged(self, saveReference=False):
         if saveReference:
             np.savetxt(referenceFile, data, '%11.6e', ', ')
         else:
-            bad = compareProfiles(self.test_data_path / referenceFile, data,
+            bad = compareProfiles(test_data_path / referenceFile, data,
                                             rtol=1e-2, atol=1e-8, xtol=1e-2)
             assert not bad, bad
 
@@ -1807,10 +1807,10 @@ def test_reacting_surface_case3(self):
     @pytest.mark.skipif("native" not in ct.hdf_support(),
                         reason="Cantera compiled without HDF support")
     @pytest.mark.filterwarnings("ignore:.*legacy HDF.*:UserWarning")
-    def test_restore_legacy_hdf(self):
+    def test_restore_legacy_hdf(self, test_data_path):
         # Legacy input file was created using the Cantera 2.6 Python test suite:
         # - restore_legacy.h5 -> test_onedim.py::TestImpingingJet::test_write_hdf
-        filename = self.test_data_path / f"impingingjet_legacy.h5"
+        filename = test_data_path / f"impingingjet_legacy.h5"
 
         self.run_reacting_surface(xch4=0.095, tsurf=900.0, mdot=0.06, width=0.1)
         jet = ct.ImpingingJet(gas=self.gas, surface=self.surf_phase)