[Reactor] YAML summary of ReactorNet

include/cantera/zeroD/FlowDevice.h

@@ -53,6 +53,9 @@ class FlowDevice
         return m_type;
     }
 
+    //! Generate self-documenting YAML string.
+    virtual std::string toYAML() const;
+
     //! Mass flow rate (kg/s).
     double massFlowRate(double time = -999.0) {
         if (time != -999.0) {
@@ -89,7 +92,7 @@ class FlowDevice
     }
 
     //! Return a const reference to the downstream reactor.
-    const ReactorBase& out() const {
+    ReactorBase& out() const {
         return *m_out;
     }
 

include/cantera/zeroD/ReactorBase.h

@@ -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");

include/cantera/zeroD/ReactorNet.h

@@ -31,6 +31,7 @@ class ReactorNet : public FuncEval
     //! @name Methods to set up a simulation.
     //@{
 
+
     //! Set initial time. Default = 0.0 s. Restarts integration from this time
     //! using the current mixture state as the initial condition.
     void setInitialTime(double time);
@@ -97,6 +98,9 @@ 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

@@ -22,6 +22,9 @@ class ReactorSurface
     ReactorSurface(const ReactorSurface&) = delete;
     ReactorSurface& operator=(const ReactorSurface&) = delete;
 
+    //! Generate self-documenting YAML string.
+    virtual std::string toYAML() const;
+
     //! Returns the surface area [m^2]
     double area() const;
 

include/cantera/zeroD/Wall.h

@@ -40,6 +40,9 @@ class WallBase
         return "WallBase";
     }
 
+    //! 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
@@ -72,9 +75,9 @@ class WallBase
      * @deprecated To be removed after Cantera 2.5.
      */
     double getArea() const {
-        warn_deprecated("WallBase::getArea()", 
+        warn_deprecated("WallBase::getArea()",
                         "To be removed after Cantera 2.5. "
-                        "Replace with WallBase::area().");        
+                        "Replace with WallBase::area().");
         return m_area;
     }
 
@@ -95,7 +98,7 @@ 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;
     }
 
@@ -216,7 +219,7 @@ class Wall : public WallBase
     //! Heat flux function
     Func1* m_qf;
 };
-  
+
 }
 
 #endif

interfaces/cython/cantera/_cantera.pxd

@@ -505,6 +505,7 @@ 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
@@ -541,6 +542,7 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
     cdef cppclass CxxWallBase "Cantera::WallBase":
         CxxWallBase()
         string type()
+        string toYAML()
         cbool install(CxxReactorBase&, CxxReactorBase&)
         double area()
         void setArea(double)
@@ -569,6 +571,7 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
 
     cdef cppclass CxxReactorSurface "Cantera::ReactorSurface":
         CxxReactorSurface()
+        string toYAML()
         double area()
         void setArea(double)
         void setKinetics(CxxKinetics*)
@@ -583,6 +586,7 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
     cdef cppclass CxxFlowDevice "Cantera::FlowDevice":
         CxxFlowDevice()
         string typeStr()
+        string toYAML()
         double massFlowRate(double) except +translate_exception
         cbool install(CxxReactorBase&, CxxReactorBase&) except +translate_exception
         void setPressureFunction(CxxFunc1*) except +translate_exception
@@ -609,6 +613,7 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
     cdef cppclass CxxReactorNet "Cantera::ReactorNet":
         CxxReactorNet()
         void addReactor(CxxReactor&)
+        string toYAML()
         double advance(double, cbool) except +translate_exception
         double step() except +translate_exception
         void initialize() except +translate_exception

interfaces/cython/cantera/reactor.pyx

@@ -63,6 +63,10 @@ cdef class ReactorBase:
         def __set__(self, name):
             self.rbase.setName(stringify(name))
 
+    def to_yaml(self):
+        """Return a YAML representation of the Reactor setup."""
+        return pystr(self.rbase.toYAML())
+
     def syncState(self):
         """
         Set the state of the Reactor to match that of the associated
@@ -414,6 +418,10 @@ cdef class ReactorSurface:
         if A is not None:
             self.area = A
 
+    def to_yaml(self):
+        """Return a YAML representation of the ReactorSurface setup."""
+        return pystr(self.surface.toYAML())
+
     def install(self, Reactor r):
         r.reactor.addSurface(self.surface)
 
@@ -542,6 +550,10 @@ cdef class WallBase:
         def __get__(self):
             return pystr(self.wall.type())
 
+    def to_yaml(self):
+        """Return a YAML representation of the WallBase setup."""
+        return pystr(self.wall.toYAML())
+
     property left:
         """ The left surface of this wall. """
         def __get__(self):
@@ -695,6 +707,10 @@ cdef class FlowDevice:
         def __get__(self):
             return pystr(self.dev.typeStr())
 
+    def to_yaml(self):
+        """Return a YAML representation of the FlowDevice setup."""
+        return pystr(self.dev.toYAML())
+
     def _install(self, ReactorBase upstream, ReactorBase downstream):
         """
         Install the device between the *upstream* (source) and *downstream*
@@ -761,11 +777,11 @@ cdef class MassFlowController(FlowDevice):
 
     .. math:: \dot m = \max(\dot m_0*g(t), 0.),
 
-    where :math:`\dot m_0` is a constant value and :math:`g(t)` is a function of 
+    where :math:`\dot m_0` is a constant value and :math:`g(t)` is a function of
     time. Both :math:`\dot m_0` and :math:`g(t)` can be set individually by
-    the property `mass_flow_coeff` and the method `set_time_function`, 
-    respectively. The method `set_mass_flow_rate` combines the former 
-    into a single function. Note that if :math:`\dot m_0*g(t) < 0`, the mass flow 
+    the property `mass_flow_coeff` and the method `set_time_function`,
+    respectively. The method `set_mass_flow_rate` combines the former
+    into a single function. Note that if :math:`\dot m_0*g(t) < 0`, the mass flow
     rate will be set to zero, since reversal of the flow direction is not allowed.
 
     Unlike a real mass flow controller, a MassFlowController object will
@@ -805,7 +821,7 @@ cdef class MassFlowController(FlowDevice):
         Set the mass flow rate [kg/s] through this controller to be either
         a constant or an arbitrary function of time. See `Func1`.
 
-        Note that depending on the argument type, this method either changes 
+        Note that depending on the argument type, this method either changes
         the property `mass_flow_coeff` or calls the `set_time_function` method.
 
         >>> mfc.set_mass_flow_rate(0.3)
@@ -936,7 +952,7 @@ cdef class PressureController(FlowDevice):
 
     .. math:: \dot m = \dot m_{\rm master} + K_v*f(P_1 - P_2)
 
-    where :math:`f` is the arbitrary function of a single argument. 
+    where :math:`f` is the arbitrary function of a single argument.
     """
     flowdevice_type = "PressureController"
 
@@ -1007,6 +1023,10 @@ cdef class ReactorNet:
         self._reactors.append(r)
         self.net.addReactor(deref(r.reactor))
 
+    def to_yaml(self):
+        """Return a YAML representation of the ReactorNet setup."""
+        return pystr(self.net.toYAML())
+
     def advance(self, double t, pybool apply_limit=True):
         """
         Advance the state of the reactor network in time from the current time

src/zeroD/FlowDevice.cpp

@@ -6,6 +6,7 @@
 #include "cantera/zeroD/FlowDevice.h"
 #include "cantera/zeroD/ReactorBase.h"
 #include "cantera/numerics/Func1.h"
+#include "cantera/base/yaml.h"
 
 namespace Cantera
 {
@@ -46,6 +47,25 @@ bool FlowDevice::install(ReactorBase& in, ReactorBase& out)
     return true;
 }
 
+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::EndMap;
+
+    out << yml.c_str();
+    return out.str();
+}
+
 void FlowDevice::setPressureFunction(Func1* f)
 {
     m_pfunc = f;

src/zeroD/ReactorBase.cpp

@@ -7,6 +7,7 @@
 #include "cantera/zeroD/FlowDevice.h"
 #include "cantera/zeroD/ReactorNet.h"
 #include "cantera/zeroD/ReactorSurface.h"
+#include "cantera/base/yaml.h"
 
 using namespace std;
 namespace Cantera
@@ -44,6 +45,25 @@ void ReactorBase::syncState()
     }
 }
 
+std::string ReactorBase::toYAML() const
+{
+    YAML::Emitter yml;
+    std::stringstream out;
+
+    yml << YAML::BeginMap;
+    yml << YAML::Key << name();
+    yml << YAML::BeginMap;
+    yml << YAML::Key << "type";
+    yml << YAML::Value << typeStr();
+    yml << YAML::Key << "thermo";
+    yml << YAML::Value << m_thermo->name();
+    yml << YAML::EndMap;
+    yml << YAML::EndMap;
+
+    out << yml.c_str();
+    return out.str();
+}
+
 void ReactorBase::addInlet(FlowDevice& inlet)
 {
     m_inlet.push_back(&inlet);