[Reactor] streamline/update naming of zeroD objects

* pass name attributes from Cython to C++ layer for FlowDevice and
WallBase objects
* create name and type attributes for ReactorSurface objects

include/cantera/zeroD/FlowDevice.h

@@ -29,7 +29,7 @@ const int Valve_Type = 3;
 class FlowDevice
 {
 public:
-    FlowDevice();
+    FlowDevice(const std::string& name = "(none)");
 
     virtual ~FlowDevice() {}
     FlowDevice(const FlowDevice&) = delete;
@@ -53,6 +53,16 @@ class FlowDevice
         return m_type;
     }
 
+    //! Return the name of this flow device
+    std::string name() const {
+        return m_name;
+    }
+
+    //! Set the name of this flow device
+    void setName(const std::string& name) {
+        m_name = name;
+    }
+
     //! Generate self-documenting YAML string.
     virtual std::string toYAML() const;
 
@@ -156,6 +166,8 @@ class FlowDevice
 
     int m_type; //!< @deprecated To be removed after Cantera 2.5.
 
+    std::string m_name; //! flow device name
+
 private:
     size_t m_nspin, m_nspout;
     ReactorBase* m_in;

include/cantera/zeroD/Reactor.h

@@ -192,9 +192,6 @@ class Reactor : public ReactorBase
     //! Get initial conditions for SurfPhase objects attached to this reactor
     virtual void getSurfaceInitialConditions(double* y);
 
-    //! Pointer to the homogeneous Kinetics object that handles the reactions
-    Kinetics* m_kin;
-
     doublereal m_vdot; //!< net rate of volume change from moving walls [m^3/s]
     doublereal m_Q; //!< net heat transfer through walls [W]
     doublereal m_mass; //!< total mass

include/cantera/zeroD/ReactorBase.h

@@ -270,6 +270,10 @@ class ReactorBase
     size_t m_nsp;
 
     thermo_t* m_thermo;
+
+    //! Pointer to the homogeneous Kinetics object that handles the reactions
+    Kinetics* m_kin;
+
     doublereal m_vol;
     doublereal m_enthalpy;
     doublereal m_intEnergy;

include/cantera/zeroD/ReactorSurface.h

@@ -1,7 +1,7 @@
 //! @file ReactorSurface.h Header file for class ReactorSurface
 
 // This file is part of Cantera. See License.txt in the top-level directory or
-// at http://www.cantera.org/license.txt for license and copyright information.
+// at https://cantera.org/license.txt for license and copyright information.
 
 #ifndef CT_REACTOR_SURFACE_H
 #define CT_REACTOR_SURFACE_H
@@ -17,11 +17,27 @@ class SurfPhase;
 class ReactorSurface
 {
 public:
-    ReactorSurface();
+    ReactorSurface(const std::string& name = "(none)");
     virtual ~ReactorSurface() {}
     ReactorSurface(const ReactorSurface&) = delete;
     ReactorSurface& operator=(const ReactorSurface&) = delete;
 
+    //! String indicating the wall model implemented. Usually
+    //! corresponds to the name of the derived class.
+    virtual std::string type() const {
+        return "ReactorSurface";
+    }
+
+    //! Return the name of this surface
+    std::string name() const {
+        return m_name;
+    }
+
+    //! Set the name of this surface
+    void setName(const std::string& name) {
+        m_name = name;
+    }
+
     //! Generate self-documenting YAML string.
     virtual std::string toYAML() const;
 
@@ -93,6 +109,8 @@ class ReactorSurface
     ReactorBase* m_reactor;
     vector_fp m_cov;
     std::vector<SensitivityParameter> m_params;
+
+    std::string m_name; //! reactor surface name
 };
 
 }

include/cantera/zeroD/Wall.h

@@ -28,7 +28,7 @@ const int WallType = 1;
 class WallBase
 {
 public:
-    WallBase();
+    WallBase(const std::string& name = "(none)");
 
     virtual ~WallBase() {}
     WallBase(const WallBase&) = delete;
@@ -40,6 +40,16 @@ class WallBase
         return "WallBase";
     }
 
+    //! Return the name of this wall
+    std::string name() const {
+        return m_name;
+    }
+
+    //! Set the name of this wall
+    void setName(const std::string& name) {
+        m_name = name;
+    }
+
     //! Generate self-documenting YAML string.
     virtual std::string toYAML() const;
 
@@ -109,6 +119,8 @@ class WallBase
     std::vector<ReactorSurface> m_surf;
 
     double m_area;
+
+    std::string m_name; //! wall name
 };
 
 //! Represents a wall between between two ReactorBase objects.

interfaces/cython/cantera/_cantera.pxd

@@ -542,6 +542,8 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
     cdef cppclass CxxWallBase "Cantera::WallBase":
         CxxWallBase()
         string type()
+        string name()
+        void setName(string)
         string toYAML()
         cbool install(CxxReactorBase&, CxxReactorBase&)
         double area()
@@ -571,6 +573,9 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
 
     cdef cppclass CxxReactorSurface "Cantera::ReactorSurface":
         CxxReactorSurface()
+        string type()
+        string name()
+        void setName(string)
         string toYAML()
         double area()
         void setArea(double)
@@ -586,6 +591,8 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
     cdef cppclass CxxFlowDevice "Cantera::FlowDevice":
         CxxFlowDevice()
         string typeStr()
+        string name()
+        void setName(string)
         string toYAML()
         double massFlowRate(double) except +translate_exception
         cbool install(CxxReactorBase&, CxxReactorBase&) except +translate_exception
@@ -1034,7 +1041,6 @@ cdef class WallBase:
     cdef object _heat_flux_func
     cdef ReactorBase _left_reactor
     cdef ReactorBase _right_reactor
-    cdef str name
 
 cdef class Wall(WallBase):
     pass
@@ -1043,7 +1049,6 @@ cdef class FlowDevice:
     cdef CxxFlowDevice* dev
     cdef Func1 _rate_func
     cdef Func1 _time_func
-    cdef str name
     cdef ReactorBase _upstream
     cdef ReactorBase _downstream
 

interfaces/cython/cantera/examples/reactors/ic_engine.py

@@ -100,7 +100,7 @@ def piston_speed(t):
 inlet = ct.Reservoir(gas, name='Inlet')
 
 # inlet valve
-inlet_valve = ct.Valve(inlet, cyl)
+inlet_valve = ct.Valve(inlet, cyl, name='InletValve')
 inlet_delta = np.mod(inlet_close - inlet_open, 4 * np.pi)
 inlet_valve.valve_coeff = inlet_valve_coeff
 inlet_valve.set_time_function(
@@ -111,7 +111,7 @@ def piston_speed(t):
 injector = ct.Reservoir(gas, name='Fuel')
 
 # injector is modeled as a mass flow controller
-injector_mfc = ct.MassFlowController(injector, cyl)
+injector_mfc = ct.MassFlowController(injector, cyl, name='Injector')
 injector_delta = np.mod(injector_close - injector_open, 4 * np.pi)
 injector_t_open = (injector_close - injector_open) / 2. / np.pi / f
 injector_mfc.mass_flow_coeff = injector_mass / injector_t_open
@@ -123,7 +123,7 @@ def piston_speed(t):
 outlet = ct.Reservoir(gas, name='Outlet')
 
 # outlet valve
-outlet_valve = ct.Valve(cyl, outlet)
+outlet_valve = ct.Valve(cyl, outlet, name='OutletValve')
 outlet_delta = np.mod(outlet_close - outlet_open, 4 * np.pi)
 outlet_valve.valve_coeff = outlet_valve_coeff
 outlet_valve.set_time_function(
@@ -134,7 +134,7 @@ def piston_speed(t):
 ambient_air = ct.Reservoir(ct.Solution('air.cti'), name='Ambient')
 
 # piston is modeled as a moving wall
-piston = ct.Wall(ambient_air, cyl)
+piston = ct.Wall(ambient_air, cyl, name='Piston')
 piston.area = A_piston
 piston.set_velocity(piston_speed)
 

interfaces/cython/cantera/reactor.pyx

@@ -410,14 +410,35 @@ cdef class ReactorSurface:
     def __dealloc__(self):
         del self.surface
 
-    def __init__(self, kin=None, Reactor r=None, *, A=None):
+    def __init__(self, kin=None, Reactor r=None, *, name=None, A=None):
+
         if kin is not None:
             self.kinetics = kin
         if r is not None:
             self.install(r)
         if A is not None:
             self.area = A
 
+        if name is not None:
+            self.name = name
+        else:
+            _reactor_counts[self.__class__.__name__] += 1
+            n = _reactor_counts[self.__class__.__name__]
+            self.name = '{0}_{1}'.format(self.__class__.__name__, n)
+
+    property type:
+        """The type of the reactor."""
+        def __get__(self):
+            return pystr(self.surface.type())
+
+    property name:
+        """The name of the reactor."""
+        def __get__(self):
+            return pystr(self.surface.name())
+
+        def __set__(self, name):
+            self.surface.setName(stringify(name))
+
     def to_yaml(self):
         """Return a YAML representation of the ReactorSurface setup."""
         return pystr(self.surface.toYAML())
@@ -515,12 +536,13 @@ cdef class WallBase:
         self._heat_flux_func = None
 
         self._install(left, right)
+
         if name is not None:
             self.name = name
         else:
-            _reactor_counts['Wall'] += 1
-            n = _reactor_counts['Wall']
-            self.name = 'Wall_{0}'.format(n)
+            _reactor_counts[self.__class__.__name__] += 1
+            n = _reactor_counts[self.__class__.__name__]
+            self.name = '{0}_{1}'.format(self.__class__.__name__, n)
 
         if A is not None:
             self.area = A
@@ -550,6 +572,14 @@ cdef class WallBase:
         def __get__(self):
             return pystr(self.wall.type())
 
+    property name:
+        """The name of the reactor."""
+        def __get__(self):
+            return pystr(self.wall.name())
+
+        def __set__(self, name):
+            self.wall.setName(stringify(name))
+
     def to_yaml(self):
         """Return a YAML representation of the WallBase setup."""
         return pystr(self.wall.toYAML())
@@ -707,6 +737,14 @@ cdef class FlowDevice:
         def __get__(self):
             return pystr(self.dev.typeStr())
 
+    property name:
+        """The name of the reactor."""
+        def __get__(self):
+            return pystr(self.dev.name())
+
+        def __set__(self, name):
+            self.dev.setName(stringify(name))
+
     def to_yaml(self):
         """Return a YAML representation of the FlowDevice setup."""
         return pystr(self.dev.toYAML())

src/zeroD/FlowDevice.cpp

@@ -1,7 +1,7 @@
 //! @file FlowDevice.cpp
 
 // This file is part of Cantera. See License.txt in the top-level directory or
-// at http://www.cantera.org/license.txt for license and copyright information.
+// at https://cantera.org/license.txt for license and copyright information.
 
 #include "cantera/zeroD/FlowDevice.h"
 #include "cantera/zeroD/ReactorBase.h"
@@ -11,10 +11,15 @@
 namespace Cantera
 {
 
-FlowDevice::FlowDevice() : m_mdot(0.0), m_pfunc(0), m_tfunc(0),
-                           m_coeff(1.0), m_type(0),
-                           m_nspin(0), m_nspout(0),
-                           m_in(0), m_out(0) {}
+FlowDevice::FlowDevice(const std::string& name) :
+    m_mdot(0.0),
+    m_pfunc(0), m_tfunc(0),
+    m_coeff(1.0), m_type(0),
+    m_nspin(0), m_nspout(0),
+    m_in(0), m_out(0)
+{
+    m_name = name;
+}
 
 bool FlowDevice::install(ReactorBase& in, ReactorBase& out)
 {
@@ -52,14 +57,13 @@ std::string FlowDevice::toYAML() const
     YAML::Emitter yml;
     std::stringstream out;
 
-    // object is not aware of its unique identifier
     yml << YAML::BeginMap;
-    yml << YAML::Key << "type";
-    yml << YAML::Value << typeStr();
-    yml << YAML::Key << "in";
-    yml << YAML::Value << m_in->name();
-    yml << YAML::Key << "out";
-    yml << YAML::Value << m_out->name();
+    yml << YAML::Key << name();
+    yml << YAML::BeginMap;
+    yml << YAML::Key << "type" << YAML::Value << typeStr();
+    yml << YAML::Key << "in" << YAML::Value << m_in->name();
+    yml << YAML::Key << "out" << YAML::Value << m_out->name();
+    yml << YAML::EndMap;
     yml << YAML::EndMap;
 
     out << yml.c_str();

src/zeroD/Reactor.cpp

@@ -18,7 +18,6 @@ namespace bmt = boost::math::tools;
 namespace Cantera
 {
 Reactor::Reactor() :
-    m_kin(0),
     m_vdot(0.0),
     m_Q(0.0),
     m_mass(0.0),

src/zeroD/ReactorBase.cpp

@@ -13,8 +13,10 @@ using namespace std;
 namespace Cantera
 {
 
-ReactorBase::ReactorBase(const string& name) : m_nsp(0),
+ReactorBase::ReactorBase(const string& name) :
+    m_nsp(0),
     m_thermo(0),
+    m_kin(0),
     m_vol(1.0),
     m_enthalpy(0.0),
     m_intEnergy(0.0),
@@ -55,8 +57,16 @@ std::string ReactorBase::toYAML() const
     yml << YAML::BeginMap;
     yml << YAML::Key << "type";
     yml << YAML::Value << typeStr();
-    yml << YAML::Key << "thermo";
-    yml << YAML::Value << m_thermo->name();
+    if (m_thermo) {
+        yml << YAML::Key << "phase";
+        yml << YAML::Value << m_thermo->name();
+        yml << YAML::Key << "thermo.type";
+        yml << YAML::Value << m_thermo->type();
+    }
+    if (m_kin) {
+        yml << YAML::Key << "kinetics.type";
+        yml << YAML::Value << m_kin->kineticsType();
+    }
     yml << YAML::EndMap;
     yml << YAML::EndMap;