[unittest] Update Sim1D.save/restore tests

test/data/adiabatic_flame_legacy.yaml

@@ -0,0 +1,78 @@
+setup:
+  description: initial guess
+  generator: Cantera Sim1D
+  cantera-version: 2.6.0
+  git-commit: unknown
+  date: Thu Dec 22 22:50:32 2022
+  reactants:
+    points: 1
+    type: inlet
+    temperature: 300.0
+    mass-flux: 1.338612362800703
+    mass-fractions:
+      H2: 9.478316470455491e-03
+      O2: 0.1367636951757011
+      AR: 0.8537579883538435
+  flame:
+    points: 9
+    tolerances:
+      transient-abstol: 1.0e-11
+      steady-abstol: 1.0e-09
+      transient-reltol: 1.0e-04
+      steady-reltol: 1.0e-04
+    type: Free Flame
+    pressure: 1.01325e+05
+    phase:
+      name: ohmech
+      source: /opt/homebrew/Caskroom/miniforge/base/envs/cantera/lib/python3.10/site-packages/cantera/data/h2o2.yaml
+    radiation-enabled: false
+    energy-enabled: true
+    Soret-enabled: false
+    species-enabled: true
+    refine-criteria:
+      ratio: 3.0
+      slope: 0.06
+      curve: 0.12
+      prune: 0.0
+      grid-min: 1.0e-10
+      max-points: 1000
+    fixed-point:
+      location: 0.0105
+      temperature: 698.1678485027373
+    grid: [0.0, 6.0e-03, 9.0e-03, 0.0105, 0.012, 0.015, 0.018, 0.024, 0.03]
+    velocity: [1.0, 1.0, 1.0, 2.205581220696009, 3.411162441392019, 5.822324882784038,
+    5.822324882784038, 5.822324882784038, 5.822324882784038]
+    T: [300.0, 300.0, 300.0, 698.1678485027371, 1096.335697005475,
+    1892.671394010949, 1892.671394010949, 1892.671394010949,
+    1892.671394010949]
+    H2: [9.478316470455491e-03, 9.478316470455491e-03, 9.478316470455491e-03,
+    7.109842855845580e-03, 4.741369241235666e-03, 4.422012015843635e-06,
+    4.422012015843405e-06, 4.422012015843405e-06, 4.422012015843405e-06]
+    H: [0.0, 0.0, 0.0, 4.691903645074276e-08, 9.383807290148556e-08,
+    1.876761458029711e-07, 1.876761458029711e-07, 1.876761458029711e-07,
+    1.876761458029711e-07]
+    O: [0.0, 0.0, 0.0, 8.204442509821813e-06, 1.640888501964364e-05,
+    3.281777003928727e-05, 3.281777003928727e-05, 3.281777003928727e-05,
+    3.281777003928727e-05]
+    O2: [0.1367636951757011, 0.1367636951757011, 0.1367636951757011,
+    0.1178952114224941, 0.09902672766928713, 0.06128976016287324,
+    0.06128976016287325, 0.06128976016287325, 0.06128976016287325]
+    OH: [0.0, 0.0, 0.0, 1.365789095524984e-04, 2.731578191049970e-04,
+    5.463156382099939e-04, 5.463156382099939e-04, 5.463156382099939e-04,
+    5.463156382099939e-04]
+    H2O: [0.0, 0.0, 0.0, 0.02109188182623040, 0.04218376365246081,
+    0.08436752730492161, 0.08436752730492161, 0.08436752730492161,
+    0.08436752730492161]
+    HO2: [0.0, 0.0, 0.0, 2.318933184184578e-07, 4.637866368369159e-07,
+    9.275732736738316e-07, 9.275732736738315e-07, 9.275732736738315e-07,
+    9.275732736738315e-07]
+    H2O2: [0.0, 0.0, 0.0, 1.337716924587937e-08, 2.675433849175876e-08,
+    5.350867698351750e-08, 5.350867698351750e-08, 5.350867698351750e-08,
+    5.350867698351750e-08]
+    AR: [0.8537579883538435, 0.8537579883538435, 0.8537579883538435,
+    0.8537579883538435, 0.8537579883538436, 0.8537579883538436,
+    0.8537579883538436, 0.8537579883538436, 0.8537579883538436]
+    N2: [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]
+  products:
+    points: 1
+    type: outlet

test/python/test_onedim.py

@@ -515,17 +515,25 @@ def test_prune(self):
         # TODO: check that the solution is actually correct (that is, that the
         # residual satisfies the error tolerances) on the new grid.
 
-    def test_save_restore_yaml_legacy(self):
-        self.run_save_restore("legacy")
-
-    def test_save_restore_yaml_transition(self):
-        self.run_save_restore("transition")
+    def test_restore_legacy_yaml(self):
+        reactants = 'H2:1.1, O2:1, AR:5'
+        p = 5 * ct.one_atm
+        Tin = 600
+        self.create_sim(p, Tin, reactants)
+        meta = self.sim.restore("adiabatic_flame_legacy.yaml", "setup")
+        assert meta["generator"] == "Cantera Sim1D"
+        assert meta["cantera-version"] == "2.6.0"
+        assert self.sim.inlet.T == 300
+        assert self.sim.P == pytest.approx(ct.one_atm)
+        assert len(self.sim.grid) == 9
 
     def test_save_restore_yaml_array(self):
+        # save and restore using YAML format
         self.run_save_restore("array")
 
     @utilities.unittest.skipIf("native" not in ct.hdf_support(), "HighFive not installed")
     def test_save_restore_hdf_array(self):
+        # save and restore using HDF format
         self.run_save_restore("hdf")
 
     def run_save_restore(self, mode):
@@ -550,26 +558,16 @@ def run_save_restore(self, mode):
         V1 = self.sim.spread_rate
         P1 = self.sim.P
         T1 = self.sim.T
-
-        if mode in {"array", "hdf"}:
-            self.sim.save(filename, "test", loglevel=0)
-        else:
-            self.sim.write_yaml(filename, "test", quiet=True)
+        self.sim.save(filename, "test", loglevel=0)
 
         # Save a second solution to the same file
         self.sim.radiation_enabled = True
         self.sim.boundary_emissivities = 0.3, 0.8
-        if mode in {"array", "hdf"}:
-            self.sim.save(filename, "test2", loglevel=0)
-        else:
-            self.sim.write_yaml(filename, "test2", quiet=True)
+        self.sim.save(filename, "test2", loglevel=0)
 
         # Create flame object with dummy initial grid
         self.sim = ct.FreeFlame(self.gas)
-        if mode == "legacy":
-            self.sim.read_yaml(filename, "test", quiet=True)
-        else:
-            self.sim.restore(filename, "test", loglevel=0)
+        self.sim.restore(filename, "test", loglevel=0)
 
         # Sim is initially in "steady-state" mode, so this returns the
         # steady-state tolerances
@@ -607,10 +605,7 @@ def run_save_restore(self, mode):
         self.assertFalse(self.sim.radiation_enabled)
         self.assertFalse(self.sim.soret_enabled)
 
-        if mode == "legacy":
-            self.sim.read_yaml(filename, "test2", quiet=True)
-        else:
-            self.sim.restore(filename, "test2", loglevel=0)
+        self.sim.restore(filename, "test2", loglevel=0)
         self.assertTrue(self.sim.radiation_enabled)
         self.assertEqual(self.sim.boundary_emissivities, (0.3, 0.8))
 
@@ -731,15 +726,18 @@ def test_write_csv(self):
     @pytest.mark.usefixtures("allow_deprecated")
     @utilities.unittest.skipIf("h5py" not in ct.hdf_support(), "h5py not installed")
     def test_write_hdf_legacy(self):
+        # save and restore legacy h5py format
         self.run_freeflame_write_hdf("legacy")
 
     @pytest.mark.usefixtures("allow_deprecated")
     @utilities.unittest.skipIf(ct.hdf_support() != {"h5py", "native"}, "h5py and/or HighFive not installed")
     def test_write_hdf_transition(self):
+        # save legacy h5py format / restore with HighFive
         self.run_freeflame_write_hdf("transition")
 
     @utilities.unittest.skipIf("native" not in ct.hdf_support(), "HighFive not installed")
     def test_write_hdf_native(self):
+        # save and restore with updated format (HighFive only)
         self.run_freeflame_write_hdf("native")
 
     def run_freeflame_write_hdf(self, mode):
@@ -1316,15 +1314,18 @@ def test_reacting_surface_case3(self):
     @pytest.mark.usefixtures("allow_deprecated")
     @utilities.unittest.skipIf("h5py" not in ct.hdf_support(), "h5py not installed")
     def test_write_hdf_legacy(self):
+        # save and restore legacy h5py format
         self.run_impingingjet_write("legacy")
 
     @pytest.mark.usefixtures("allow_deprecated")
     @utilities.unittest.skipIf(ct.hdf_support() != {"h5py", "native"}, "h5py and/or HighFive not installed")
     def test_write_hdf_transition(self):
+        # save legacy h5py format and restore using HighFive
         self.run_impingingjet_write("transition")
 
     @utilities.unittest.skipIf("native" not in ct.hdf_support(), "HighFive not installed")
     def test_write_hdf_native(self):
+        # save and restore updated HDF format
         self.run_impingingjet_write("native")
 
     def test_write_yaml_native(self):
@@ -1374,16 +1375,7 @@ def run_impingingjet_write(self, mode):
 
         jet.solve(loglevel=0)
 
-    def test_save_restore_yaml_legacy(self):
-        self.run_save_restore_yaml("legacy")
-
-    def test_save_restore_yaml_transition(self):
-        self.run_save_restore_yaml("transition")
-
     def test_save_restore_yaml_array(self):
-        self.run_save_restore_yaml("array")
-
-    def run_save_restore_yaml(self, mode):
         comp = {'CH4': 0.095, 'O2': 0.21, 'N2': 0.79}
         self.sim = self.create_reacting_surface(comp, tsurf=900, tinlet=300, width=0.1)
 
@@ -1394,20 +1386,13 @@ def run_save_restore_yaml(self, mode):
 
         self.sim.solve(loglevel=0, auto=False)
 
-        filename = self.test_work_path / f"impingingjet-{mode}.yaml"
+        filename = self.test_work_path / f"impingingjet.yaml"
         filename.unlink(missing_ok=True)
-
-        if mode == "array":
-            self.sim.save(filename, "test", loglevel=0)
-        else:
-            self.sim.write_yaml(filename, "test", quiet=True)
+        self.sim.save(filename, "test", loglevel=0)
 
         self.surf_phase.TPX = 300, ct.one_atm, "PT(S):1"
         sim2 = ct.ImpingingJet(gas=self.gas, width=0.12, surface=self.surf_phase)
-        if mode == "legacy":
-            sim2.read_yaml(filename, "test", quiet=True)
-        else:
-            sim2.restore(filename, "test", loglevel=0)
+        sim2.restore(filename, "test", loglevel=0)
 
         self.assertArrayNear(self.sim.grid, sim2.grid)
         self.assertArrayNear(self.sim.Y, sim2.Y)
@@ -1450,10 +1435,12 @@ def test_restart(self):
         self.assertNear(sim.T[0], sim.reactants.T, 1e-4)
 
     def test_save_restore_yaml(self):
+        # save and restore using YAML format
         self.run_save_restore("yaml")
 
     @utilities.unittest.skipIf("native" not in ct.hdf_support(), "HighFive not installed")
     def test_save_restore_hdf(self):
+        # save and restore using HDF format
         self.run_save_restore("hdf")
 
     def run_save_restore(self, mode):