[Python] Add CanteraError class for execptions

SConstruct

@@ -990,7 +990,7 @@ if env['VERBOSE']:
 env['python_cmd_esc'] = quoted(env['python_cmd'])
 
 # Python 2 Package Settings
-cython_min_version = LooseVersion('0.19')
+cython_min_version = LooseVersion('0.23')
 env['install_python2_action'] = ''
 if env['python_package'] == 'new':
     env['python_package'] = 'full' # Allow 'new' as a synonym for 'full'

doc/sphinx/compiling.rst

@@ -59,7 +59,7 @@ Linux
 * Checking out the source code from version control requires Git (install
   ``git``).
 
-* The minimum compatible Cython version is 0.19. If your distribution does not
+* The minimum compatible Cython version is 0.23. If your distribution does not
   contain a suitable version, you may be able to install a more recent version
   using `pip`.
 

include/cantera/cython/funcWrapper.h

@@ -8,6 +8,8 @@
 #include "cantera/base/ctexceptions.h"
 #include <stdexcept>
 
+#define CANTERA_USE_INTERNAL
+#include "cantera/clib/clib_defs.h"
 #include "Python.h"
 
 typedef double(*callback_wrapper)(double, void*, void**);
@@ -88,6 +90,9 @@ class Func1Py : public Cantera::Func1
     void* m_pyobj;
 };
 
+extern "C" {
+    CANTERA_CAPI PyObject* pyCanteraError;
+}
 
 // Translate C++ Exceptions generated by Cantera to appropriate Python
 // exceptions. Used with Cython function declarations, e.g:
@@ -105,6 +110,8 @@ inline int translate_exception()
         PyErr_SetObject(exn.m_type, exn.m_value);
     } catch (const std::out_of_range& exn) {
         PyErr_SetString(PyExc_IndexError, exn.what());
+    } catch (const Cantera::CanteraError& exn) {
+        PyErr_SetString(pyCanteraError, exn.what());
     } catch (const std::exception& exn) {
         PyErr_SetString(PyExc_RuntimeError, exn.what());
     } catch (...) {

interfaces/cython/cantera/composite.py

@@ -615,7 +615,7 @@ def collect_data(self, cols=('extra','T','density','Y'), threshold=0,
                 single_species = True
                 collabels = ['{}_{}'.format(species, c)]
             else:
-                raise Exception('property "{}" not supported'.format(c))
+                raise CanteraError('property "{}" not supported'.format(c))
 
             # Get the data for the current group of columns
             if single_species:

interfaces/cython/cantera/onedim.pyx

@@ -850,7 +850,7 @@ cdef class Sim1D:
                 self.energy_enabled = True
                 self.sim.solve(loglevel, <cbool>False)
                 solved = True
-            except Exception as e:
+            except CanteraError as e:
                 log(str(e))
                 solved = False
 
@@ -866,7 +866,7 @@ cdef class Sim1D:
                     self.energy_enabled = True
                     self.sim.solve(loglevel, <cbool>False)
                     solved = True
-                except Exception as e:
+                except CanteraError as e:
                     log(str(e))
 
             if solved and not self.extinct():
@@ -875,7 +875,7 @@ cdef class Sim1D:
                 try:
                     self.sim.solve(loglevel, <cbool>True)
                     solved = True
-                except Exception as e:
+                except CanteraError as e:
                     log(str(e))
                     solved = False
 
@@ -887,7 +887,7 @@ cdef class Sim1D:
                 log('Flame is extinct on {} point grid', N)
 
         if not solved:
-            raise Exception('Could not find a solution for the 1D problem')
+            raise CanteraError('Could not find a solution for the 1D problem')
 
         if solve_multi:
             log('Solving with multicomponent transport')

interfaces/cython/cantera/reactor.pyx

@@ -310,7 +310,7 @@ cdef class Reactor(ReactorBase):
         name from the index.
         """
         if not self.n_vars:
-            raise Exception('Reactor empty or network not initialized.')
+            raise CanteraError('Reactor empty or network not initialized.')
         cdef np.ndarray[np.double_t, ndim=1] y = np.zeros(self.n_vars)
         self.reactor.getState(&y[0])
         return y
@@ -402,12 +402,12 @@ cdef class WallSurface:
         """
         def __get__(self):
             if self._kinetics is None:
-                raise Exception('No kinetics manager present')
+                raise CanteraError('No kinetics manager present')
             self.cxxwall.syncCoverages(self.side)
             return self._kinetics.coverages
         def __set__(self, coverages):
             if self._kinetics is None:
-                raise Exception("Can't set coverages before assigning kinetics manager.")
+                raise CanteraError("Can't set coverages before assigning kinetics manager.")
 
             if isinstance(coverages, (dict, str, unicode, bytes)):
                 self.cxxwall.setCoverages(self.side, comp_map(coverages))
@@ -474,12 +474,12 @@ cdef class ReactorSurface:
         """
         def __get__(self):
             if self._kinetics is None:
-                raise Exception('No kinetics manager present')
+                raise CanteraError('No kinetics manager present')
             self.surface.syncCoverages()
             return self._kinetics.coverages
         def __set__(self, coverages):
             if self._kinetics is None:
-                raise Exception("Can't set coverages before assigning kinetics manager.")
+                raise CanteraError("Can't set coverages before assigning kinetics manager.")
 
             if isinstance(coverages, (dict, str, unicode, bytes)):
                 self.surface.setCoverages(comp_map(coverages))
@@ -1116,7 +1116,7 @@ cdef class ReactorNet:
         all entities contained.
         """
         if not self.n_vars:
-            raise Exception('ReactorNet empty or not initialized.')
+            raise CanteraError('ReactorNet empty or not initialized.')
         cdef np.ndarray[np.double_t, ndim=1] y = np.zeros(self.n_vars)
         self.net.getState(&y[0])
         return y
@@ -1153,9 +1153,9 @@ cdef class ReactorNet:
         if not residual_threshold:
             residual_threshold = 10. * self.rtol
         if residual_threshold <= self.rtol:
-            raise Exception('Residual threshold (' + str(residual_threshold) +
-                            ') should be below solver rtol (' +
-                            str(self.rtol) + ')')
+            raise CanteraError('Residual threshold (' + str(residual_threshold) +
+                               ') should be below solver rtol (' +
+                               str(self.rtol) + ')')
         if return_residuals:
             residuals = np.empty(max_steps)
         # check if system is initialized
@@ -1177,8 +1177,8 @@ cdef class ReactorNet:
             if residual < residual_threshold:
                 break
         if step == max_steps - 1:
-            raise Exception('Maximum number of steps reached before convergence'
-                            ' below maximum residual')
+            raise CanteraError('Maximum number of steps reached before'
+                               ' convergence below maximum residual')
         if return_residuals:
             return residuals[:step + 1]
 

interfaces/cython/cantera/test/test_convert.py

@@ -424,7 +424,7 @@ def test_pdep(self):
     def test_invalid(self):
         try:
             gas = ct.Solution('../data/invalid.cti')
-        except RuntimeError as e:
+        except ct.CanteraError as e:
             err = e
 
         self.assertIn('already contains', err.args[0])

interfaces/cython/cantera/test/test_onedim.py

@@ -54,10 +54,10 @@ def test_grid_check(self):
         gas = ct.Solution('h2o2.xml')
         flame = ct.FreeFlow(gas)
 
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             flame.grid = [0, 0.1, 0.1, 0.2]
 
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             flame.grid = [0, 0.1, 0.2, 0.05]
 
     def test_unpicklable(self):
@@ -279,7 +279,7 @@ def test_multicomponent(self):
     def test_soret_flag(self):
         self.create_sim(101325, 300, 'H2:1.0, O2:1.0')
         self.assertFalse(self.sim.soret_enabled)
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             self.sim.soret_enabled = True
         self.sim.transport_model = 'Multi'
         self.sim.soret_enabled = True

interfaces/cython/cantera/test/test_reactor.py

@@ -458,12 +458,12 @@ def test_valve_errors(self):
         self.make_reactors()
         res = ct.Reservoir()
 
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             # Must assign contents of both reactors before creating Valve
             v = ct.Valve(self.r1, res)
 
         v = ct.Valve(self.r1, self.r2)
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             # inlet and outlet cannot be reassigned
             v._install(self.r2, self.r1)
 
@@ -497,15 +497,15 @@ def test_pressure_controller_errors(self):
 
         p = ct.PressureController(self.r1, self.r2, master=mfc, K=0.5)
 
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             p = ct.PressureController(self.r1, self.r2, K=0.5)
             p.mdot(0.0)
 
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             p = ct.PressureController(self.r1, self.r2, master=mfc)
             p.mdot(0.0)
 
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             p = ct.PressureController(self.r1, self.r2)
             p.mdot(0.0)
 

interfaces/cython/cantera/test/test_thermo.py

@@ -601,29 +601,29 @@ def test_add_species_disabled(self):
         ref = ct.Solution('gri30.xml')
 
         reactor = ct.IdealGasReactor(self.phase)
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             self.phase.add_species(ref.species('CH4'))
         del reactor
         gc.collect()
         self.phase.add_species(ref.species('CH4'))
 
         flame = ct.FreeFlame(self.phase, width=0.1)
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             self.phase.add_species(ref.species('CO'))
         del flame
         gc.collect()
         self.phase.add_species(ref.species('CO'))
 
         mix = ct.Mixture([(self.phase, 2.0)])
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             self.phase.add_species(ref.species('CH2O'))
         del mix
         gc.collect()
         self.phase.add_species(ref.species('CH2O'))
 
     def test_add_species_duplicate(self):
         species = self.phase.species('H2O2')
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             self.phase.add_species(species)
 
 
@@ -1160,16 +1160,16 @@ def test_element_atomic_number(self):
         self.assertEqual(self.ar_num.atomic_number, 18)
 
     def test_element_name_not_present(self):
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             ct.Element('I am not an element')
 
     def test_element_atomic_number_small(self):
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             ct.Element(0)
 
     def test_element_atomic_number_big(self):
         num_elements = ct.Element.num_elements_defined
-        with self.assertRaises(RuntimeError):
+        with self.assertRaises(ct.CanteraError):
             ct.Element(num_elements + 1)
 
     def test_element_bad_input(self):

interfaces/cython/cantera/test/test_transport.py

@@ -132,7 +132,7 @@ def test_bad_geometry(self):
                {'H':'atom', 'H2':'nonlinear', 'H2O':'nonlinear'},
                {'H':'atom', 'H2':'linear', 'H2O':'atom'}]
         for geoms in bad:
-            with self.assertRaises(RuntimeError):
+            with self.assertRaises(ct.CanteraError):
                 ct.Solution(source=self.phase_data.format(**geoms))
 
 

interfaces/cython/cantera/thermo.pyx

@@ -461,7 +461,7 @@ cdef class ThermoPhase(_SolutionBase):
         automatically.
         """
         if self._references:
-            raise RuntimeError('Cannot add species to ThermoPhase object if it'
+            raise CanteraError('Cannot add species to ThermoPhase object if it'
                 ' is linked to a Reactor, Domain1D (flame), or Mixture object.')
         self.thermo.addUndefinedElements()
         self.thermo.addSpecies(species._species)

interfaces/cython/cantera/utils.pyx

@@ -2,6 +2,8 @@
 # at http://www.cantera.org/license.txt for license and copyright information.
 
 import sys
+from cpython.ref cimport PyObject
+
 cdef int _pythonMajorVersion = sys.version_info[0]
 
 cdef CxxPythonLogger* _logger = new CxxPythonLogger()
@@ -52,3 +54,8 @@ cdef Composition comp_map(X) except *:
 
 cdef comp_map_to_dict(Composition m):
     return {pystr(species):value for species,value in m.items()}
+
+class CanteraError(RuntimeError):
+    pass
+
+cdef public PyObject* pyCanteraError = <PyObject*>CanteraError