Merge bf2eb07 into 6ce695d

include/cantera/zeroD/FlowDevice.h

@@ -30,7 +30,7 @@ const int Valve_Type = 3;
 class FlowDevice
 {
 public:
-    FlowDevice();
+    FlowDevice(const std::string& name = "(none)");
 
     virtual ~FlowDevice() {}
     FlowDevice(const FlowDevice&) = delete;
@@ -54,6 +54,19 @@ 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;
+
     //! Mass flow rate (kg/s).
     //! @deprecated The 'time' argument will be removed after Cantera 2.5.
     //!     Evaluating the mass flow rate at times other than the current time
@@ -101,7 +114,7 @@ class FlowDevice
     }
 
     //! Return a const reference to the downstream reactor.
-    const ReactorBase& out() const {
+    ReactorBase& out() const {
         return *m_out;
     }
 
@@ -166,6 +179,8 @@ 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

@@ -205,9 +205,6 @@ 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

@@ -89,7 +89,7 @@ class ReactorBase
     //! Specify the mixture contained in the reactor. Note that a pointer to
     //! this substance is stored, and as the integration proceeds, the state of
     //! the substance is modified.
-    virtual void setThermoMgr(thermo_t& thermo);
+    virtual void setThermoMgr(ThermoPhase& thermo);
 
     //! Specify chemical kinetics governing the reactor.
     virtual void setKineticsMgr(Kinetics& kin) {
@@ -101,6 +101,9 @@ class ReactorBase
         throw NotImplementedError("ReactorBase::setChemistry");
     }
 
+    //! Generate self-documenting YAML string.
+    virtual std::string toYAML() const;
+
     //! Set the energy equation on or off.
     virtual void setEnergy(int eflag = 1) {
         throw NotImplementedError("ReactorBase::setEnergy");
@@ -136,6 +139,11 @@ class ReactorBase
         return m_wall.size();
     }
 
+    //! Return the number of ReactorSurface objects connected to this reactor.
+    size_t nSurfaces() {
+        return m_surfaces.size();
+    }
+
     //! Insert a Wall between this reactor and another reactor.
     /*!
      *  `lr` = 0 if this reactor is to the left of the wall and `lr` = 1 if
@@ -177,15 +185,15 @@ class ReactorBase
     virtual void syncState();
 
     //! return a reference to the contents.
-    thermo_t& contents() {
+    ThermoPhase& contents() {
         if (!m_thermo) {
             throw CanteraError("ReactorBase::contents",
                                "Reactor contents not defined.");
         }
         return *m_thermo;
     }
 
-    const thermo_t& contents() const {
+    const ThermoPhase& contents() const {
         if (!m_thermo) {
             throw CanteraError("ReactorBase::contents",
                                "Reactor contents not defined.");
@@ -261,7 +269,11 @@ class ReactorBase
     //! Number of homogeneous species in the mixture
     size_t m_nsp;
 
-    thermo_t* m_thermo;
+    ThermoPhase* 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/ReactorNet.h

@@ -102,6 +102,9 @@ class ReactorNet : public FuncEval
 
     //@}
 
+    //! Generate self-documenting YAML string.
+    std::string toYAML() const;
+
     //! Add the reactor *r* to this reactor network.
     void addReactor(Reactor& r);
 

include/cantera/zeroD/ReactorSurface.h

@@ -17,11 +17,30 @@ 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;
+
     //! Returns the surface area [m^2]
     double area() const;
 
@@ -90,6 +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 +40,19 @@ 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;
+
     //! Rate of volume change (m^3/s) for the adjacent reactors.
     /*!
      * This method is called by Reactor::evalWalls(). Base class method
@@ -95,7 +108,7 @@ class WallBase
     }
 
     //! Return a reference to the Reactor or Reservoir to the right of the wall.
-    const ReactorBase& right() {
+    ReactorBase& right() const {
         return *m_right;
     }
 
@@ -106,6 +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

@@ -546,6 +546,7 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
     cdef cppclass CxxReactorBase "Cantera::ReactorBase":
         CxxReactorBase()
         string typeStr()
+        string toYAML()
         void setThermoMgr(CxxThermoPhase&) except +translate_exception
         void restoreState() except +translate_exception
         void syncState() except +translate_exception
@@ -582,6 +583,9 @@ 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()
         void setArea(double)
@@ -610,6 +614,10 @@ 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)
         void setKinetics(CxxKinetics*)
@@ -624,6 +632,9 @@ 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() except +translate_exception
         double massFlowRate(double) except +translate_exception
         cbool install(CxxReactorBase&, CxxReactorBase&) except +translate_exception
@@ -652,6 +663,7 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
     cdef cppclass CxxReactorNet "Cantera::ReactorNet":
         CxxReactorNet()
         void addReactor(CxxReactor&)
+        string toYAML() except +translate_exception
         double advance(double, cbool) except +translate_exception
         double step() except +translate_exception
         void initialize() except +translate_exception
@@ -1088,7 +1100,6 @@ cdef class WallBase:
     cdef object _heat_flux_func
     cdef ReactorBase _left_reactor
     cdef ReactorBase _right_reactor
-    cdef str name
 
 cdef class Wall(WallBase):
     pass
@@ -1097,7 +1108,6 @@ 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

@@ -97,26 +97,26 @@ def piston_speed(t):
 
 # define initial state and set up reactor
 gas.TPX = T_inlet, p_inlet, comp_inlet
-cyl = ct.IdealGasReactor(gas)
+cyl = ct.IdealGasReactor(gas, name='Cylinder')
 cyl.volume = V_oT
 
 # define inlet state
 gas.TPX = T_inlet, p_inlet, comp_inlet
-inlet = ct.Reservoir(gas)
+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(
     lambda t: np.mod(crank_angle(t) - inlet_open, 4 * np.pi) < inlet_delta)
 
 # define injector state (gaseous!)
 gas.TPX = T_injector, p_injector, comp_injector
-injector = ct.Reservoir(gas)
+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
@@ -125,21 +125,21 @@ def piston_speed(t):
 
 # define outlet pressure (temperature and composition don't matter)
 gas.TPX = T_ambient, p_outlet, comp_ambient
-outlet = ct.Reservoir(gas)
+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(
     lambda t: np.mod(crank_angle(t) - outlet_open, 4 * np.pi) < outlet_delta)
 
 # define ambient pressure (temperature and composition don't matter)
 gas.TPX = T_ambient, p_ambient, comp_ambient
-ambient_air = ct.Reservoir(gas)
+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)