Translate warnings to Python

License.txt

@@ -6,7 +6,7 @@ Copyright (c) 2009 Sandia Corporation. Under the terms of
 Contract AC04-94AL85000 with Sandia Corporation, the U.S. Government
 retains certain rights in this software.
 
-Copyright (c) 2011-2021, Cantera Developers.
+Copyright (c) 2011-2022, Cantera Developers.
 All rights reserved.
 
 Redistribution and use in source and binary forms, with or without

doc/sphinx/conf.py

@@ -116,7 +116,7 @@ def escape_splats(app, what, name, obj, options, lines):
 
 # General information about the project.
 project = 'Cantera'
-copyright = '2001-2021, Cantera Developers'
+copyright = "2001-2022, Cantera Developers"
 
 # The version info for the project you're documenting, acts as replacement for
 # |version| and |release|, also used in various other places throughout the

include/cantera/base/global.h

@@ -192,18 +192,51 @@ void writelogendl();
 void writeline(char repeat, size_t count,
                bool endl_after=true, bool endl_before=false);
 
-//! @copydoc Application::warn_deprecated
-void warn_deprecated(const std::string& method, const std::string& extra="");
+//! helper function passing deprecation warning to global handler
+void _warn_deprecated(const std::string& method, const std::string& extra="");
+
+//! Print a deprecation warning raised from *method*. @see Application::warn_deprecated
+/*!
+ * @param method  method name
+ * @param msg  Python-style format string with the following arguments
+ * @param args  arguments for the format string
+ */
+template <typename... Args>
+void warn_deprecated(const std::string& method, const std::string& msg,
+                     const Args&... args) {
+    if (sizeof...(args) == 0) {
+        _warn_deprecated(method, msg);
+    } else {
+        _warn_deprecated(method, fmt::format(msg, args...));
+    }
+}
 
 //! @copydoc Application::suppress_deprecation_warnings
 void suppress_deprecation_warnings();
 
-//! helper function passing user warning to global handler
-void _warn_user(const std::string& method, const std::string& extra);
+//! helper function passing generic warning to global handler
+void _warn(const std::string& warning,
+           const std::string& method, const std::string& extra);
 
+//! Print a generic warning raised from *method*. @see Application::warn
+/*!
+ * @param warning  type of warning; @see Logger::warn
+ * @param method  method name
+ * @param msg  Python-style format string with the following arguments
+ * @param args  arguments for the format string
+ */
+template <typename... Args>
+void warn(const std::string& warning, const std::string& method,
+          const std::string& msg, const Args&... args) {
+    if (sizeof...(args) == 0) {
+        _warn(warning, method, msg);
+    } else {
+        _warn(warning, method, fmt::format(msg, args...));
+    }
+}
+
+//! Print a user warning raised from *method* as `CanteraWarning`.
 /*!
- * Print a user warning raised from *method*.
- *
  * @param method  method name
  * @param msg  Python-style format string with the following arguments
  * @param args  arguments for the format string
@@ -212,9 +245,9 @@ template <typename... Args>
 void warn_user(const std::string& method, const std::string& msg,
                const Args&... args) {
     if (sizeof...(args) == 0) {
-        _warn_user(method, msg);
+        _warn("Cantera", method, msg);
     } else {
-        _warn_user(method, fmt::format(msg, args...));
+        _warn("Cantera", method, fmt::format(msg, args...));
     }
 }
 

include/cantera/base/logger.h

@@ -67,6 +67,16 @@ class Logger
         std::cout << std::endl;
     }
 
+    //! Write a warning message.
+    /*!
+     * The default behavior is to write to the logging output.
+     * @param warning  String specifying type of warning; @see Logger::warn
+     * @param msg      String message to be written to cout
+     */
+    virtual void warn(const std::string& warning, const std::string& msg) {
+        std::clog << warning << "Warning: " << msg << std::endl;
+    }
+
     //! Write an error message and quit.
     /*!
      * The default behavior is to write to the standard error stream, and then

include/cantera/cython/wrappers.h

@@ -9,6 +9,23 @@
 
 #include "Python.h"
 
+// Warning types supported by the Python C-API.
+// See https://docs.python.org/3/c-api/exceptions.html#issuing-warnings
+std::map<std::string, PyObject*> mapped_PyWarnings = {
+    {"", PyExc_Warning},
+    {"Bytes", PyExc_BytesWarning},
+    {"Cantera", PyExc_UserWarning}, // pre-existing warning
+    {"Deprecation", PyExc_DeprecationWarning},
+    {"Future", PyExc_FutureWarning},
+    {"Import", PyExc_ImportWarning},
+    {"PendingDeprecation", PyExc_PendingDeprecationWarning},
+    {"Resource", PyExc_ResourceWarning},
+    {"Runtime", PyExc_RuntimeWarning},
+    {"Syntax", PyExc_SyntaxWarning},
+    {"Unicode", PyExc_UnicodeWarning},
+    {"User", PyExc_UserWarning}
+};
+
 // Wrappers for preprocessor defines
 std::string get_cantera_version()
 {
@@ -37,9 +54,17 @@ class PythonLogger : public Cantera::Logger
         std::cout.flush();
     }
 
+    virtual void warn(const std::string& warning, const std::string& msg) {
+        if (mapped_PyWarnings.find(warning) != mapped_PyWarnings.end()) {
+            PyErr_WarnEx(mapped_PyWarnings[warning], msg.c_str(), 1);
+        } else {
+            // issue generic warning
+            PyErr_WarnEx(PyExc_Warning, msg.c_str(), 1);
+        }
+    }
+
     virtual void error(const std::string& msg) {
-        std::string err = "raise Exception('''"+msg+"''')";
-        PyRun_SimpleString(err.c_str());
+        PyErr_SetString(PyExc_RuntimeError, msg.c_str());
     }
 };
 

interfaces/cython/cantera/_cantera.pxd

@@ -173,9 +173,6 @@ cdef extern from "cantera/base/global.h" namespace "Cantera":
     cdef XML_Node* CxxGetXmlFile "Cantera::get_XML_File" (string) except +translate_exception
     cdef XML_Node* CxxGetXmlFromString "Cantera::get_XML_from_string" (string) except +translate_exception
     cdef void Cxx_make_deprecation_warnings_fatal "Cantera::make_deprecation_warnings_fatal" ()
-    cdef void Cxx_make_warnings_fatal "Cantera::make_warnings_fatal" ()
-    cdef void Cxx_suppress_warnings "Cantera::suppress_warnings" ()
-    cdef cbool Cxx_warnings_suppressed "Cantera::warnings_suppressed" ()
     cdef void Cxx_suppress_deprecation_warnings "Cantera::suppress_deprecation_warnings" ()
     cdef void Cxx_suppress_thermo_warnings "Cantera::suppress_thermo_warnings" (cbool)
     cdef void Cxx_use_legacy_rate_constants "Cantera::use_legacy_rate_constants" (cbool)

interfaces/cython/cantera/examples/kinetics/custom_reactions.py

@@ -9,6 +9,7 @@
 from timeit import default_timer
 import numpy as np
 from math import exp
+import warnings
 
 import cantera as ct
 
@@ -29,9 +30,12 @@
 gas1 = ct.Solution(thermo='ideal-gas', kinetics='gas',
                    species=species, reactions=custom_reactions)
 
-# old framework - use xml input
+# old framework - use xml input (to be removed after Cantera 2.6)
 
-gas2 = ct.Solution(mech.replace('.yaml', '.xml'))
+with warnings.catch_warnings():
+    # suppress warning: XML input is deprecated
+    warnings.simplefilter("ignore")
+    gas2 = ct.Solution(mech.replace(".yaml", ".xml"))
 
 # construct test case - simulate ignition
 

interfaces/cython/cantera/test/test_convert.py

@@ -2,8 +2,10 @@
 from pathlib import Path
 import logging
 import io
+import pytest
 
 from . import utilities
+from .utilities import allow_deprecated
 import cantera as ct
 from cantera import ck2cti, ck2yaml, cti2yaml, ctml2yaml
 
@@ -534,8 +536,10 @@ def test_error_for_big_element_number(self):
         with self.assertRaisesRegex(self.InputError, 'Element amounts can have no more than 3 digits.'):
             self.convert('big_element_num_err.inp')
 
+
+@pytest.mark.usefixtures("allow_deprecated")
 class CtmlConverterTest(utilities.CanteraTest):
-    @utilities.allow_deprecated
+
     def test_sofc(self):
         gas_a, anode_bulk, oxide_a = ct.import_phases(
             'sofc.cti',
@@ -546,14 +550,12 @@ def test_sofc(self):
         self.assertNear(oxide_a.density_mole, 17.6)
 
     @utilities.slow_test
-    @utilities.allow_deprecated
     def test_diamond(self):
         gas, solid = ct.import_phases('diamond.cti', ['gas','diamond'])
         face = ct.Interface('diamond.cti', 'diamond_100', [gas, solid])
 
         self.assertNear(face.site_density, 3e-8)
 
-    @utilities.allow_deprecated
     def test_invalid(self):
         try:
             gas = ct.Solution('invalid.cti')
@@ -562,13 +564,11 @@ def test_invalid(self):
 
         self.assertIn('already contains', err.args[0])
 
-    @utilities.allow_deprecated
     def test_noninteger_atomicity(self):
         gas = ct.Solution('noninteger-atomicity.cti')
         self.assertNear(gas.molecular_weights[gas.species_index('CnHm')],
                         10.65*gas.atomic_weight('C') + 21.8*gas.atomic_weight('H'))
 
-    @utilities.allow_deprecated
     def test_reaction_orders(self):
         gas = ct.Solution('reaction-orders.cti')
         self.assertEqual(gas.n_reactions, 1)
@@ -578,7 +578,6 @@ def test_reaction_orders(self):
         self.assertTrue(R.allow_negative_orders)
         self.assertNear(R.orders.get('H2'), -0.25)
 
-    @utilities.allow_deprecated
     def test_long_source_input(self):
         """
         Here we are testing if passing a very long string will result in a
@@ -593,7 +592,6 @@ def test_long_source_input(self):
 
         self.assertEqual(gas.n_reactions, gas2.n_reactions)
 
-    @utilities.allow_deprecated
     def test_short_source_input(self):
         """
         Here we are testing if passing a short string will result in a Solution

interfaces/cython/cantera/test/test_jacobian.py

@@ -1,7 +1,9 @@
 import numpy as np
+import pytest
 
 import cantera as ct
 from . import utilities
+from .utilities import has_temperature_derivative_warnings
 
 
 class RateExpressionTests:
@@ -478,17 +480,20 @@ def setUpClass(cls):
         #   species: [AR, O, H2, H, OH, O2, H2O, H2O2, HO2]
         cls.gas.X = [0.1, 3e-4, 5e-5, 6e-6, 3e-3, 0.6, 0.25, 1e-6, 2e-5]
         cls.gas.TP = 2000, 5 * ct.one_atm
+        super().setUpClass()
 
-        # suppress user warning (e.g. temperature derivative of Blowers-Masel)
-        cls.warnings_suppressed = ct.warnings_suppressed()
-        ct.suppress_warnings()
+    @pytest.mark.usefixtures("has_temperature_derivative_warnings")
+    def test_forward_rop_ddT(self):
+        super().test_forward_rop_ddT()
 
-        super().setUpClass()
+    @pytest.mark.usefixtures("has_temperature_derivative_warnings")
+    def test_reverse_rop_ddT(self):
+        super().test_reverse_rop_ddT()
+
+    @pytest.mark.usefixtures("has_temperature_derivative_warnings")
+    def test_net_rop_ddT(self):
+        super().test_net_rop_ddT()
 
-    @classmethod
-    def tearDownClass(cls):
-        if not cls.warnings_suppressed:
-            ct.make_warnings_fatal()
 
 class TestPlog(FromScratchCases, utilities.CanteraTest):
     # Plog reaction
@@ -510,15 +515,15 @@ class TestBlowersMasel(FromScratchCases, utilities.CanteraTest):
     equation = "H2 + O <=> H + OH"
     rate_type = "Blowers-Masel"
 
-    @utilities.unittest.skip("change of reaction enthalpy is not considered")
+    @pytest.mark.xfail(reason="Change of reaction enthalpy is not considered")
     def test_forward_rop_ddT(self):
         super().test_forward_rop_ddT()
 
-    @utilities.unittest.skip("change of reaction enthalpy is not considered")
+    @pytest.mark.xfail(reason="Change of reaction enthalpy is not considered")
     def test_reverse_rop_ddT(self):
         super().test_reverse_rop_ddT()
 
-    @utilities.unittest.skip("change of reaction enthalpy is not considered")
+    @pytest.mark.xfail(reason="Change of reaction enthalpy is not considered")
     def test_net_rop_ddT(self):
         super().test_net_rop_ddT()
 

interfaces/cython/cantera/test/test_kinetics.py

@@ -2,9 +2,11 @@
 import re
 import itertools
 import pkg_resources
+import pytest
 
 import cantera as ct
 from . import utilities
+from .utilities import allow_deprecated
 
 # avoid explicit dependence of cantera on scipy
 try:
@@ -476,14 +478,11 @@ def test_sticking_coeff_err(self):
                    "at T = 5000.0",
                    "at T = 10000.0",
                    "Sticking coefficient is greater than 1 for reaction",
-                   "CanteraError thrown by InterfaceReaction::validate:",
+                   "InterfaceReaction::validate:",
                    )
-        if not ct.debug_mode_enabled():
-            err_msg += ("CanteraError thrown by BlowersMaselInterfaceReaction::validate:",)
 
-        ct.make_warnings_fatal()
         for err in err_msg:
-            with self.assertRaisesRegex(ct.CanteraError, err):
+            with pytest.warns(UserWarning, match=err):
                 gas = ct.Solution('sticking_coeff_check.yaml')
                 surface = ct.Interface('sticking_coeff_check.yaml', 'Pt_surf', [gas])
 
@@ -950,14 +949,14 @@ def test_nonreacting_species(self):
 
 class TestReaction(utilities.CanteraTest):
     @classmethod
-    def setUpClass(self):
+    def setUpClass(cls):
         utilities.CanteraTest.setUpClass()
-        self.gas = ct.Solution('h2o2.yaml', transport_model=None)
-        self.gas.X = 'H2:0.1, H2O:0.2, O2:0.7, O:1e-4, OH:1e-5, H:2e-5'
-        self.gas.TP = 900, 2*ct.one_atm
-        self.species = ct.Species.list_from_file("h2o2.yaml")
+        cls.gas = ct.Solution('h2o2.yaml', transport_model=None)
+        cls.gas.X = 'H2:0.1, H2O:0.2, O2:0.7, O:1e-4, OH:1e-5, H:2e-5'
+        cls.gas.TP = 900, 2*ct.one_atm
+        cls.species = ct.Species.list_from_file("h2o2.yaml")
 
-    @utilities.allow_deprecated
+    @pytest.mark.usefixtures("allow_deprecated")
     def test_fromCti(self):
         r = ct.Reaction.fromCti('''three_body_reaction('2 O + M <=> O2 + M',
             [1.200000e+11, -1.0, 0.0], efficiencies='AR:0.83 H2:2.4 H2O:15.4')''')
@@ -971,7 +970,7 @@ def test_fromCti(self):
         self.assertIn('O2', r)
         self.assertNotIn('H2O', r)
 
-    @utilities.allow_deprecated
+    @pytest.mark.usefixtures("allow_deprecated")
     def test_fromXml(self):
         import xml.etree.ElementTree as ET
         root = ET.parse(self.cantera_data_path / "h2o2.xml").getroot()
@@ -1007,15 +1006,15 @@ def test_listFromFile(self):
         eq2 = [r.equation for r in self.gas.reactions()]
         self.assertEqual(eq1, eq2)
 
-    @utilities.allow_deprecated
+    @pytest.mark.usefixtures("allow_deprecated")
     def test_listFromCti(self):
         gas = ct.Solution("h2o2.xml", transport_model=None)
         R = ct.Reaction.listFromCti((self.cantera_data_path / "h2o2.cti").read_text())
         eq1 = [r.equation for r in R]
         eq2 = [r.equation for r in gas.reactions()]
         self.assertEqual(eq1, eq2)
 
-    @utilities.allow_deprecated
+    @pytest.mark.usefixtures("allow_deprecated")
     def test_listFromXml(self):
         gas = ct.Solution("h2o2.xml", transport_model=None)
         R = ct.Reaction.listFromXml((self.cantera_data_path / "h2o2.xml").read_text())