[Reactor] Deprecate Wall-based method for adding surface chemistry

The new method using class ReactorSurface should be used instead.

include/cantera/zeroD/Wall.h

@@ -18,9 +18,8 @@ class SurfPhase;
 
 //! Represents a wall between between two ReactorBase objects.
 /*!
- * Walls can move (changing the volume of the adjacent reactors), allow heat
+ * Walls can move (changing the volume of the adjacent reactors) and allow heat
- * transfer between reactors, and provide a location for surface reactions to
+ * transfer between reactors.
- * take place.
  */
 class Wall
 {
@@ -144,51 +143,80 @@ public:
     //! Specify the heterogeneous reaction mechanisms for each side of the
     //! wall. Passing a null pointer indicates that there is no reaction
     //! mechanism for the corresponding wall surface.
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     void setKinetics(Kinetics* leftMechanism,
                      Kinetics* rightMechanism);
 
     //! Return a pointer to the surface phase object for the left
     //! (`leftright=0`) or right (`leftright=1`) wall surface.
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     SurfPhase* surface(int leftright) {
         return m_surf[leftright].thermo();
     }
 
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     ReactorSurface* reactorSurface(int leftright) {
         return &m_surf[leftright];
     }
 
     //! Return a pointer to the surface kinetics object for the left
     //! (`leftright=0`) or right (`leftright=1`) wall surface.
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     Kinetics* kinetics(int leftright) {
         return m_surf[leftright].kinetics();
     }
 
     //! Set the surface coverages on the left (`leftright = 0`) or right
     //! (`leftright = 1`) surface to the values in array `cov`.
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     void setCoverages(int leftright, const doublereal* cov);
 
     //! Set the surface coverages on the left (`leftright = 0`) or right
     //! (`leftright = 1`) surface to the values in array `cov`.
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     void setCoverages(int leftright, const compositionMap& cov);
 
     //! Set the surface coverages on the left (`leftright = 0`) or right
     //! (`leftright = 1`) surface to the values in array `cov`.
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     void setCoverages(int leftright, const std::string& cov);
 
     //! Write the coverages of the left or right surface into array `cov`.
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     void getCoverages(int leftright, doublereal* cov);
 
     //! Set the coverages in the surface phase object to the values for this
     //! wall surface.
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     void syncCoverages(int leftright);
 
     //! Number of sensitivity parameters associated with reactions on the left
     //! (`lr = 0`) or right (`lr = 1`) side of the wall.
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     size_t nSensParams(int lr) const {
         return m_surf[lr].nSensParams();
     }
+
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     void addSensitivityReaction(int leftright, size_t rxn);
+
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     void setSensitivityParameters(double* params);
+
+    //! @deprecated Use class ReactorSurface instead. To be removed after
+    //!     Cantera 2.3.
     void resetSensitivityParameters();
 
 protected:

interfaces/cython/cantera/reactor.pyx

@@ -353,6 +353,10 @@ cdef class FlowReactor(Reactor):
 cdef class WallSurface:
     """
     Represents a wall surface in contact with the contents of a reactor.
+
+    .. deprecated:: 2.2
+        Use class ReactorSurface to implement reactor surface chemistry. To be
+        removed after Cantera 2.3.
     """
     def __cinit__(self, Wall wall, int side):
         self.wall = wall
@@ -501,13 +505,6 @@ cdef class Wall:
     conduction/convection, and :math:`\epsilon` is the emissivity. The function
     :math:`q_0(t)` is a specified function of time. The heat flux is positive
     when heat flows from the reactor on the left to the reactor on the right.
-
-    A heterogeneous reaction mechanism may be specified for one or both of the
-    wall surfaces. The mechanism object (typically an instance of class
-    `Interface`) must be constructed so that it is properly linked to
-    the object representing the fluid in the reactor the surface in question
-    faces. The surface temperature on each side is taken to be equal to the
-    temperature of the reactor it faces.
     """
 
     # The signature of this function causes warnings for Sphinx documentation
@@ -539,7 +536,8 @@ cdef class Wall:
             surface, respectively. These must be instances of class Kinetics,
             or of a class derived from Kinetics, such as Interface. If
             chemistry occurs on only one side, enter ``None`` for the
-            non-reactive side.
+            non-reactive side. *Deprecated. To be removed after
+            Cantera 2.3.*
         """
         self.left_surface = WallSurface(self, 0)
         self.right_surface = WallSurface(self, 1)
@@ -668,6 +666,11 @@ cdef class Wall:
         return self.wall.Q(t)
 
     def _set_kinetics(self):
+        """
+        .. deprecated:: 2.2
+            Use class ReactorSurface to implement reactor surface chemistry. To
+            be removed after Cantera 2.3.
+        """
         cdef CxxKinetics* L = (self.left_surface._kinetics.kinetics
                                if self.left_surface._kinetics else NULL)
         cdef CxxKinetics* R = (self.right_surface._kinetics.kinetics

interfaces/matlab/toolbox/@Wall/Wall.m

@@ -26,13 +26,6 @@ function x = Wall(left, right, area, k, u, q, v, kleft, kright)
 % :math:`q_0(t)` is a specified function of time. The heat flux is positive
 % when heat flows from the reactor on the left to the reactor on the right.
 %
-% A heterogeneous reaction mechanism may be specified for one or both of the
-% wall surfaces. The mechanism object (typically an instance of class
-% :mat:func:`Interface`) must be constructed so that it is properly linked to
-% the object representing the fluid in the reactor the surface in question
-% faces. The surface temperature on each side is taken to be equal to the
-% temperature of the reactor it faces.
-%
 % Note: all of the arguments are optional and can be activated after initial
 % construction by using the various methods of the :mat:func:`Wall` class.
 % Any improperly specified arguments will generate warnings; these can be ignored
@@ -64,11 +57,13 @@ function x = Wall(left, right, area, k, u, q, v, kleft, kright)
 % :param kleft:
 %     Surface reaction mechanisms for the left-facing surface. This must be an
 %     instance of class :mat:func:`Kinetics`, or of a class derived from Kinetics,
-%     such as :mat:func:`Interface`.
+%     such as :mat:func:`Interface`. This argument is deprecated. Use class
+%     :mat:func:`ReactorSurface` instead. To be removed after Cantera 2.3.
 % :param kright:
 %     Surface reaction mechanisms for the right-facing surface. This must be an
 %     instance of class :mat:func:`Kinetics`, or of a class derived from Kinetics,
-%     such as :mat:func:`Interface`.
+%     such as :mat:func:`Interface`. This argument is deprecated. Use class
+%     :mat:func:`ReactorSurface` instead. To be removed after Cantera 2.3.
 % :return:
 %     Instance of class :mat:func:`Wall`
 

interfaces/matlab/toolbox/@Wall/setKinetics.m

@@ -1,6 +1,8 @@
 function setKinetics(w, left, right)
 % SETKINETICS  Set the surface reaction mechanisms on a wall.
 % setKinetics(w, left, right)
+% Use class ReactorSurface instead. To be removed after Cantera 2.3.
+%
 % :param w:
 %     Instance of class :mat:func:`Wall`
 % :param left:
@@ -15,6 +17,8 @@ function setKinetics(w, left, right)
 %     an instance of class :mat:func:`Interface`
 %
 
+warning('This function is deprecated, and will be removed after Cantera 2.3. Use class ReactorSurface instead.');
+
 ileft = 0;
 iright = 0;
 if isa(left, 'Kinetics')

src/zeroD/Wall.cpp

@@ -31,6 +31,8 @@ bool Wall::install(ReactorBase& rleft, ReactorBase& rright)
 
 void Wall::setKinetics(Kinetics* left, Kinetics* right)
 {
+    warn_deprecated("Wall::setKinetics", "Use class ReactorSurface instead. "
+        "To be removed after Cantera 2.3.");
     m_surf[0].setKinetics(left);
     m_surf[1].setKinetics(right);
 }