[0D] Move deprecation warning for empty reactors

interfaces/cython/cantera/reactor.pxd

@@ -31,6 +31,7 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
 
     # factories
     cdef shared_ptr[CxxReactorBase] newReactor(string) except +translate_exception
+    cdef shared_ptr[CxxReactorBase] newReactor(string, shared_ptr[CxxSolution], string) except +translate_exception
     cdef shared_ptr[CxxFlowDevice] newFlowDevice(string) except +translate_exception
     cdef shared_ptr[CxxWallBase] newWall(string) except +translate_exception
 

interfaces/cython/cantera/reactor.pyx

@@ -23,8 +23,20 @@ cdef class ReactorBase:
     Common base class for reactors and reservoirs.
     """
     reactor_type = "none"
-    def __cinit__(self, *args, **kwargs):
-        self._reactor = newReactor(stringify(self.reactor_type))
+    def __cinit__(self, _SolutionBase contents=None, name=None, *, **kwargs):
+        def reactor_name(name):
+            if name is not None:
+                return name
+            _reactor_counts[self.reactor_type] += 1
+            return f"{self.reactor_type}_{_reactor_counts[self.reactor_type]}"
+
+        if isinstance(contents, _SolutionBase):
+            self._reactor = newReactor(stringify(self.reactor_type),
+                                       contents._base, stringify(reactor_name(name)))
+        else:
+            # deprecated: will raise warnings in C++ layer
+            self._reactor = newReactor(stringify(self.reactor_type))
+            self._reactor.get().setName(stringify(reactor_name(name)))
         self.rbase = self._reactor.get()
 
     def __init__(self, _SolutionBase contents=None, name=None, *, volume=None,
@@ -36,18 +48,7 @@ cdef class ReactorBase:
         self._walls = []
         self._surfaces = []
         if isinstance(contents, _SolutionBase):
-            self.insert(contents)
-        else:
-            warnings.warn(
-                "Starting in Cantera 3.1, the reactor contents must not be empty.",
-                DeprecationWarning)
-
-        if name is not None:
-            self.name = name
-        else:
-            _reactor_counts[self.reactor_type] += 1
-            n = _reactor_counts[self.reactor_type]
-            self.name = '{0}_{1}'.format(self.reactor_type, n)
+            self.insert(contents)  # leave insert for the time being
 
         if volume is not None:
             self.volume = volume

src/zeroD/ReactorFactory.cpp

@@ -68,7 +68,9 @@ void ReactorFactory::deleteFactory() {
 
 shared_ptr<ReactorBase> newReactor(const string& model)
 {
-    // deprecation warning is handled in Python API
+    warn_deprecated("newReactor",
+        "Creation of empty reactor objects is deprecated in Cantera 3.1 and will be \n"
+        "removed thereafter; reactor contents should be provided in the constructor.");
     return shared_ptr<ReactorBase>(ReactorFactory::factory()->create(model));
 }
 

test/clib/test_ctreactor.cpp

@@ -20,9 +20,9 @@ TEST(ctreactor, reactor_objects)
     int thermo = thermo_newFromFile("gri30.yaml", "gri30");
     int kin = kin_newFromFile("gri30.yaml", "", thermo, -1, -1, -1, -1);
 
+    suppress_deprecation_warnings();
     int reactor = reactor_new("IdealGasReactor");
     ASSERT_GE(reactor, 0);
-    suppress_deprecation_warnings();
     int ret = reactor_setThermoMgr(reactor, thermo);
     ASSERT_EQ(ret, 0);
     ret = reactor_setKineticsMgr(reactor, kin);
@@ -76,8 +76,8 @@ TEST(ctreactor, reactor_insert)
     thermo_setTemperature(thermo, T);
     thermo_setPressure(thermo, P);
 
-    int reactor = reactor_new("IdealGasReactor");
     suppress_deprecation_warnings();
+    int reactor = reactor_new("IdealGasReactor");
     int ret = reactor_insert(reactor, sol);
     make_deprecation_warnings_fatal();
     ASSERT_EQ(ret, 0);
@@ -109,8 +109,8 @@ TEST(ctreactor, reactor_from_parts)
     thermo_setTemperature(thermo, T);
     thermo_setPressure(thermo, P);
 
-    int reactor = reactor_new("IdealGasReactor");
     suppress_deprecation_warnings();
+    int reactor = reactor_new("IdealGasReactor");
     reactor_setThermoMgr(reactor, thermo);
     reactor_setKineticsMgr(reactor, kin);
     make_deprecation_warnings_fatal();

test/python/test_reactor.py

@@ -4,7 +4,7 @@ import re
 import numpy as np
 import pytest
 from pytest import approx
-from .utilities import unittest
+from .utilities import unittest, allow_deprecated
 
 import cantera as ct
 
@@ -52,9 +52,9 @@ class TestReactor(utilities.CanteraTest):
         self.net.verbose = True
         self.assertTrue(self.net.verbose)
 
+    @pytest.mark.usefixtures("allow_deprecated")
     def test_insert(self):
-        with pytest.warns(DeprecationWarning, match="must not be empty"):
-            R = self.reactorClass()
+        R = self.reactorClass()  # warning raised from C++ code
         with self.assertRaisesRegex(ct.CanteraError, 'No phase'):
             R.T
         with self.assertRaisesRegex(ct.CanteraError, 'No phase'):
@@ -692,9 +692,10 @@ class TestReactor(utilities.CanteraTest):
         assert valve.pressure_function == approx(delta_p())
         assert valve.mass_flow_rate == approx(mdot())
 
+    @pytest.mark.usefixtures("allow_deprecated")
     def test_valve_errors(self):
         self.make_reactors()
-        res = ct.Reservoir()
+        res = ct.Reservoir()  # warning raised from C++ code
 
         with self.assertRaisesRegex(ct.CanteraError, 'contents not defined'):
             # Must assign contents of both reactors before creating Valve
@@ -857,8 +858,8 @@ class TestReactor(utilities.CanteraTest):
     def test_bad_kwarg(self):
         g = ct.Solution('h2o2.yaml', transport_model=None)
         self.reactorClass(g, name='ok')
-        with self.assertRaises(TypeError):
-            r1 = self.reactorClass(foobar=3.14)
+        with self.assertRaises(ct.CanteraError):
+            self.reactorClass(foobar=3.14)
 
     def test_preconditioner_unsupported(self):
         self.make_reactors()