[WIP] pywrapper - custom source terms for all solvers

.github/workflows/regression.yml

@@ -209,7 +209,7 @@ jobs:
         uses: docker://ghcr.io/su2code/su2/test-su2:240320-1536
         with:
           # -t <Tutorials-branch> -c <Testcases-branch>
-          args: -b ${{github.ref}} -t develop -c develop -s ${{matrix.testscript}}
+          args: -b ${{github.ref}} -t develop -c feature_custom_source -s ${{matrix.testscript}}
       - name: Cleanup
         uses: docker://ghcr.io/su2code/su2/test-su2:240320-1536
         with:

Common/include/CConfig.hpp

@@ -194,8 +194,10 @@
   nMarker_CHTInterface,           /*!< \brief Number of conjugate heat transfer interface markers. */
   nMarker_ContactResistance,      /*!< \brief Number of CHT interfaces with contact resistance. */
   nMarker_Inlet,                  /*!< \brief Number of inlet flow markers. */
+  nMarker_Wall_Species,           /*!< \brief Number of inlet flow markers. */
   nMarker_Inlet_Species,          /*!< \brief Number of inlet species markers. */
   nSpecies_per_Inlet,             /*!< \brief Number of species defined per inlet markers. */
+  nSpecies_per_Wall,             /*!< \brief Number of species defined per inlet markers. */
   nMarker_Inlet_Turb,             /*!< \brief Number of inlet turbulent markers. */
   nTurb_Properties,               /*!< \brief Number of turbulent properties per inlet markers. */
   nMarker_Riemann,                /*!< \brief Number of Riemann flow markers. */
@@ -250,6 +252,7 @@
   *Marker_ActDiskBemInlet_Axis,   /*!< \brief Actuator disk BEM inlet markers passed to MARKER_ACTDISK_BEM_AXIS. */
   *Marker_ActDiskBemOutlet_Axis,  /*!< \brief Actuator disk BEM outlet markers passed to MARKER_ACTDISK_BEM_AXIS. */
   *Marker_Inlet,                  /*!< \brief Inlet flow markers. */
+  *Marker_Wall_Species,           /*!< \brief Inlet flow markers. */
   *Marker_Inlet_Species,          /*!< \brief Inlet species markers. */
   *Marker_Inlet_Turb,             /*!< \brief Inlet turbulent markers. */
   *Marker_Riemann,                /*!< \brief Riemann markers. */
@@ -289,6 +292,7 @@
   su2double *Inlet_Pressure;                 /*!< \brief Specified static pressures for supersonic inlet boundaries. */
   su2double **Inlet_Velocity;                /*!< \brief Specified flow velocity vectors for supersonic inlet boundaries. */
   su2double **Inlet_SpeciesVal;              /*!< \brief Specified species vector for inlet boundaries. */
+  su2double **Wall_SpeciesVal;              /*!< \brief Specified species vector for wall boundaries. */
   su2double **Inlet_TurbVal;                 /*!< \brief Specified turbulent intensity and viscosity ratio for inlet boundaries. */
   su2double *EngineInflow_Target;            /*!< \brief Specified fan face targets for nacelle boundaries. */
   su2double *Inflow_Mach;                    /*!< \brief Specified fan face mach for nacelle boundaries. */
@@ -615,9 +619,13 @@
   *Kind_Data_Giles;                /*!< \brief Kind of inlet boundary treatment. */
   INLET_TYPE Kind_Inlet;
   INLET_TYPE *Kind_Inc_Inlet;
+
+  //WALL_SPECIES_TYPE **Wall_SpeciesType;
+  unsigned short **Wall_SpeciesType;
   INC_OUTLET_TYPE *Kind_Inc_Outlet;
   unsigned short nWall_Types;      /*!< \brief Number of wall treatment types listed. */
   unsigned short nInc_Inlet;       /*!< \brief Number of inlet boundary treatment types listed. */
+  unsigned short nSpecies_Wall;       /*!< \brief Number of inlet boundary treatment types listed. */
   unsigned short nInc_Outlet;      /*!< \brief Number of inlet boundary treatment types listed. */
   su2double Inc_Inlet_Damping;     /*!< \brief Damping factor applied to the iterative updates to the velocity at a pressure inlet in incompressible flow. */
   su2double Inc_Outlet_Damping;    /*!< \brief Damping factor applied to the iterative updates to the pressure at a mass flow outlet in incompressible flow. */
@@ -1339,6 +1347,12 @@
   void addInletOption(const string& name, unsigned short & nMarker_Inlet, string * & Marker_Inlet,
                       su2double* & Ttotal, su2double* & Ptotal, su2double** & FlowDir);
 
+  void addWallSpeciesOption(const string& name, unsigned short & nMarker_Wall_Species, string * & Marker_Wall_Species,
+                      su2double** & wall_species_val, unsigned short & nSpecies_per_Wall);
+  void addWallSpeciesType(const string& name, unsigned short & nMarker_Wall_Species, string * & Marker_Wall_Species,
+//                      WALL_SPECIES_TYPE** & wall_species_type, unsigned short & nSpecies_per_Wall);
+                      unsigned short** & wall_species_type, unsigned short & nSpecies_per_Wall);
+
   void addInletSpeciesOption(const string& name, unsigned short & nMarker_Inlet_Species, string * & Marker_Inlet_Species,
                              su2double** & inlet_species_val, unsigned short & nSpecies_per_Inlet);
 
@@ -4957,6 +4971,13 @@
    */
   INLET_TYPE GetKind_Inc_Inlet(const string& val_marker) const;
 
+  /*!
+   * \brief Get the type of incompressible inlet from the list.
+   * \return Kind of the incompressible inlet.
+   */
+// WALL_SPECIES_TYPE* GetKind_Wall_Species(const string& val_marker) const;
+ //unsigned short* GetKind_Wall_Species(const string& val_marker) const;
+
   /*!
    * \brief Get the total number of types in Kind_Inc_Inlet list
    * \return Total number of types in Kind_Inc_Inlet list
@@ -6828,6 +6849,20 @@
    */
   const su2double* GetInlet_SpeciesVal(const string& val_index) const;
 
+  /*!
+   * \brief Get the species values at a wall boundary
+   * \param[in] val_index - Index corresponding to the wall boundary.
+   * \return The wall species values.
+   */
+  const su2double* GetWall_SpeciesVal(const string& val_index) const;
+  /*!
+   * \brief Get the species values at a wall boundary
+   * \param[in] val_index - Index corresponding to the wall boundary.
+   * \return The wall species values.
+   */
+  //const WALL_SPECIES_TYPE* GetWall_SpeciesType(const string& val_index) const;
+  const unsigned short* GetWall_SpeciesType(const string& val_index) const;
+
   /*!
    * \brief Get the turbulent properties values at an inlet boundary
    * \param[in] val_index - Index corresponding to the inlet boundary.
@@ -9315,12 +9350,24 @@
    */
   unsigned long GetnInner_Iter(void) const { return nInnerIter; }
 
+  /*!
+   * \brief Set the number of inner iterations
+   * \return
+   */
+  void SetnInner_Iter(unsigned long val_iter) { nInnerIter = val_iter; }
+
   /*!
    * \brief Get the number of outer iterations
    * \return Number of outer iterations for the multizone problem
    */
   unsigned long GetnOuter_Iter(void) const { return nOuterIter; }
 
+  /*!
+   * \brief Set the number of outer iterations
+   * \return
+   */
+  void SetnOuter_Iter(unsigned long val_iter) { nOuterIter = val_iter; }
+
   /*!
    * \brief Get the number of time iterations
    * \return Number of time steps run

Common/include/option_structure.hpp

@@ -550,7 +550,7 @@ enum ENUM_FLUIDMODEL {
   FLUID_MIXTURE = 9,      /*!< \brief Species mixture model. */
   COOLPROP = 10,          /*!< \brief Thermodynamics library. */
   FLUID_FLAMELET = 11,    /*!< \brief lookup table (LUT) method for premixed flamelets. */
-  DATADRIVEN_FLUID = 12,           /*!< \brief multi-layer perceptron driven fluid model. */
+  DATADRIVEN_FLUID = 12,  /*!< \brief multi-layer perceptron driven fluid model. */
 };
 static const MapType<std::string, ENUM_FLUIDMODEL> FluidModel_Map = {
   MakePair("STANDARD_AIR", STANDARD_AIR)
@@ -1961,6 +1961,20 @@ static const MapType<std::string, INLET_TYPE> Inlet_Map = {
   MakePair("PRESSURE_INLET", INLET_TYPE::PRESSURE_INLET)
 };
 
+
+/*!
+ * \brief Types species wall boundary treatments
+ */
+enum class WALL_SPECIES_TYPE {
+  FLUX, /*!< \brief User specifies total pressure, total temperature, and flow direction. */
+  VALUE,        /*!< \brief User specifies density and velocity (mass flow). */
+};
+
+static const MapType<std::string, WALL_SPECIES_TYPE> Wall_Species_Map = {
+  MakePair("FLUX", WALL_SPECIES_TYPE::FLUX)
+  MakePair("VALUE", WALL_SPECIES_TYPE::VALUE)
+};
+
 /*!
  * \brief Types outlet boundary treatments
  */

Common/src/CConfig.cpp

@@ -495,6 +495,30 @@
   option_map.insert(pair<string, COptionBase *>(name, val));
 }
 
+void CConfig::addWallSpeciesOption(const string& name, unsigned short & nMarker_Wall_Species,
+                                    string * & Marker_Wall_Species, su2double** & wall_species_val,
+                                    unsigned short & nSpecies_per_Wall) {
+  assert(option_map.find(name) == option_map.end());
+  all_options.insert(pair<string, bool>(name, true));
+
+  COptionBase* val = new COptionStringValuesList<su2double*>(name, nMarker_Wall_Species, Marker_Wall_Species,
+                                                             wall_species_val, nSpecies_per_Wall);
+  option_map.insert(pair<string, COptionBase *>(name, val));
+}
+
+void CConfig::addWallSpeciesType(const string& name, unsigned short & nMarker_Wall_Species,
+                                    //string * & Marker_Wall_Species, WALL_SPECIES_TYPE** & wall_species_type,
+                                    string * & Marker_Wall_Species, unsigned short** & wall_species_type,
+                                    unsigned short & nSpecies_per_Wall) {
+  assert(option_map.find(name) == option_map.end());
+  all_options.insert(pair<string, bool>(name, true));
+
+  //COptionBase* val = new COptionStringValuesList<<static_cast>(unsigned short)WALL_SPECIES_TYPE*>(name, nMarker_Wall_Species, Marker_Wall_Species,
+  COptionBase* val = new COptionStringValuesList<unsigned short*>(name, nMarker_Wall_Species, Marker_Wall_Species,
+                                                             wall_species_type, nSpecies_per_Wall);
+  option_map.insert(pair<string, COptionBase *>(name, val));
+}
+
 void CConfig::addInletTurbOption(const string& name, unsigned short& nMarker_Inlet_Turb, string*& Marker_Inlet_Turb,
                                  su2double**& Turb_Properties_val, unsigned short& nTurb_Properties) {
   assert(option_map.find(name) == option_map.end());
@@ -891,6 +915,7 @@
   Inlet_FlowDir   = nullptr;    Inlet_Temperature = nullptr;    Inlet_Pressure = nullptr;
   Inlet_Velocity  = nullptr;
   Outlet_Pressure = nullptr;    Inlet_SpeciesVal  = nullptr;    Inlet_TurbVal = nullptr;
+  Wall_SpeciesVal = nullptr;
 
   /*--- Engine Boundary Condition settings ---*/
 
@@ -982,6 +1007,8 @@
   Kind_Inc_Inlet = nullptr;
   Kind_Inc_Outlet = nullptr;
 
+  Wall_SpeciesType = nullptr;
+
   Kind_ObjFunc   = nullptr;
 
   Weight_ObjFunc = nullptr;
@@ -1571,6 +1598,8 @@
   addEnumOption("INLET_TYPE", Kind_Inlet, Inlet_Map, INLET_TYPE::TOTAL_CONDITIONS);
   /*!\brief INC_INLET_TYPE \n DESCRIPTION: List of inlet types for incompressible flows. List length must match number of inlet markers. Options: VELOCITY_INLET, PRESSURE_INLET, INPUT_FILE. \ingroup Config*/
   addEnumListOption("INC_INLET_TYPE", nInc_Inlet, Kind_Inc_Inlet, Inlet_Map);
+
+
   addBoolOption("SPECIFIED_INLET_PROFILE", Inlet_From_File, false);
   /*!\brief INLET_FILENAME \n DESCRIPTION: Input file for a specified inlet profile (w/ extension) \n DEFAULT: inlet.dat \ingroup Config*/
   addStringOption("INLET_FILENAME", Inlet_Filename, string("inlet.dat"));
@@ -1590,6 +1619,10 @@
   /*!\brief MARKER_INLET_SPECIES \n DESCRIPTION: Inlet Species boundary marker(s) with the following format
    Inlet Species: (inlet_marker, Species1, Species2, ..., SpeciesN-1, inlet_marker2, Species1, Species2, ...) */
   addInletSpeciesOption("MARKER_INLET_SPECIES",nMarker_Inlet_Species, Marker_Inlet_Species, Inlet_SpeciesVal, nSpecies_per_Inlet);
+  addWallSpeciesOption("MARKER_WALL_SPECIES"  ,nMarker_Wall_Species , Marker_Wall_Species , Wall_SpeciesVal , nSpecies_per_Wall);
+  addWallSpeciesType("WALL_SPECIES_TYPE"  ,nMarker_Wall_Species , Marker_Wall_Species , Wall_SpeciesType , nSpecies_per_Wall);
+
+
   /*!\brief MARKER_INLET_TURBULENT \n DESCRIPTION: Inlet Turbulence boundary marker(s) with the following format
    Inlet Turbulent: (inlet_marker, TurbulentIntensity1, ViscosityRatio1, inlet_marker2, TurbulentIntensity2,
    ViscosityRatio2, ...) */
@@ -5578,12 +5611,14 @@
           CURRENT_FUNCTION);
 
     // Helper function that checks scalar variable bounds,
-    auto checkScalarBounds = [&](su2double scalar, const string& name, su2double lowerBound, su2double upperBound) {
-      if (scalar < lowerBound || scalar > upperBound)
-        SU2_MPI::Error(string("Variable: ") + name + string(", is out of bounds."), CURRENT_FUNCTION);
-    };
+
+cout << "Note: we do not check boudns for scalars anymore." << endl;
+//    auto checkScalarBounds = [&](su2double scalar, const string& name, su2double lowerBound, su2double upperBound) {
+//      if (scalar < lowerBound || scalar > upperBound)
+//        SU2_MPI::Error(string("Variable: ") + name + string(", is out of bounds."), CURRENT_FUNCTION);
+//    };
 
     /*--- Some options have to provide as many entries as there are additional species equations. ---*/
     /*--- Fill a vector with the entires and then check if each element is equal to the first one. ---*/
     std::vector<unsigned short> nSpecies_options;
     nSpecies_options.push_back(nSpecies_Init);
@@ -5603,25 +5638,26 @@
 
     /*--- Check whether some variables (or their sums) are in physical bounds. [0,1] for species related quantities. ---*/
     /*--- Note, only for species transport, not for flamelet model ---*/
-    if (Kind_Species_Model == SPECIES_MODEL::SPECIES_TRANSPORT) {
-      su2double Species_Init_Sum = 0.0;
-      for (unsigned short iSpecies = 0; iSpecies < nSpecies; iSpecies++) {
-        checkScalarBounds(Species_Init[iSpecies], "SPECIES_INIT individual", 0.0, 1.0);
-        Species_Init_Sum += Species_Init[iSpecies];
-      }
-      checkScalarBounds(Species_Init_Sum, "SPECIES_INIT sum", 0.0, 1.0);
-
-      for (iMarker = 0; iMarker < nMarker_Inlet_Species; iMarker++) {
-        su2double Inlet_SpeciesVal_Sum = 0.0;
-        for (unsigned short iSpecies = 0; iSpecies < nSpecies; iSpecies++) {
-          checkScalarBounds(Inlet_SpeciesVal[iMarker][iSpecies], "MARKER_INLET_SPECIES individual", 0.0, 1.0);
-          Inlet_SpeciesVal_Sum += Inlet_SpeciesVal[iMarker][iSpecies];
-        }
-        checkScalarBounds(Inlet_SpeciesVal_Sum, "MARKER_INLET_SPECIES sum", 0.0, 1.0);
-      }
-    }
+cout << "warning: no bounds checked for species" << endl;
+    // if (Kind_Species_Model == SPECIES_MODEL::SPECIES_TRANSPORT) {
+    //   su2double Species_Init_Sum = 0.0;
+    //   for (unsigned short iSpecies = 0; iSpecies < nSpecies; iSpecies++) {
+    //     checkScalarBounds(Species_Init[iSpecies], "SPECIES_INIT individual", 0.0, 1.0);
+    //     Species_Init_Sum += Species_Init[iSpecies];
+    //   }
+    //   checkScalarBounds(Species_Init_Sum, "SPECIES_INIT sum", 0.0, 1.0);
+
+    //   for (iMarker = 0; iMarker < nMarker_Inlet_Species; iMarker++) {
+    //     su2double Inlet_SpeciesVal_Sum = 0.0;
+    //     for (unsigned short iSpecies = 0; iSpecies < nSpecies; iSpecies++) {
+    //       checkScalarBounds(Inlet_SpeciesVal[iMarker][iSpecies], "MARKER_INLET_SPECIES individual", 0.0, 1.0);
+    //       Inlet_SpeciesVal_Sum += Inlet_SpeciesVal[iMarker][iSpecies];
+    //     }
+    //     checkScalarBounds(Inlet_SpeciesVal_Sum, "MARKER_INLET_SPECIES sum", 0.0, 1.0);
+    //   }
+    // }
 
   } // species transport checks
 
   /*--- Define some variables for flamelet model. ---*/
   if (Kind_Species_Model == SPECIES_MODEL::FLAMELET) {
@@ -5644,7 +5680,7 @@
   iMarker_FarField, iMarker_SymWall, iMarker_PerBound,
   iMarker_NearFieldBound, iMarker_Fluid_InterfaceBound,
   iMarker_Inlet, iMarker_Riemann, iMarker_Giles, iMarker_Outlet,
-  iMarker_Smoluchowski_Maxwell,
+  iMarker_Smoluchowski_Maxwell, iMarker_Wall,
   iMarker_Isothermal,iMarker_HeatFlux,iMarker_HeatTansfer,
   iMarker_EngineInflow, iMarker_EngineExhaust, iMarker_Damper,
   iMarker_Displacement, iMarker_Load, iMarker_Internal,
@@ -6206,7 +6242,7 @@
 
   unsigned short iMarker_Euler, iMarker_Custom, iMarker_FarField,
   iMarker_SymWall, iMarker_PerBound, iMarker_NearFieldBound,
-  iMarker_Fluid_InterfaceBound, iMarker_Inlet, iMarker_Riemann,
+  iMarker_Fluid_InterfaceBound, iMarker_Inlet, iMarker_Riemann, iMarker_Wall,
   iMarker_Deform_Mesh, iMarker_Deform_Mesh_Sym_Plane, iMarker_Fluid_Load,
   iMarker_Smoluchowski_Maxwell, iWall_Catalytic,
   iMarker_Giles, iMarker_Outlet, iMarker_Isothermal, iMarker_HeatFlux, iMarker_HeatTransfer,
@@ -7537,7 +7573,14 @@
     }
     BoundaryTable.PrintFooter();
   }
-
+  if (nMarker_Wall_Species != 0) {
+    BoundaryTable << "Species Wall boundary";
+    for (iMarker_Wall = 0; iMarker_Wall < nMarker_Wall_Species; iMarker_Wall++) {
+      BoundaryTable << Marker_Wall_Species[iMarker_Wall];
+      if (iMarker_Wall < nMarker_Wall_Species-1)  BoundaryTable << " ";
+    }
+    BoundaryTable.PrintFooter();
+  }
   if (nMarker_Riemann != 0) {
     BoundaryTable << "Riemann boundary";
     for (iMarker_Riemann = 0; iMarker_Riemann < nMarker_Riemann; iMarker_Riemann++) {
@@ -9028,14 +9071,24 @@
   return Exhaust_Pressure_Target[iMarker_EngineExhaust];
 }
 
+
 INLET_TYPE CConfig::GetKind_Inc_Inlet(const string& val_marker) const {
   unsigned short iMarker_Inlet;
   for (iMarker_Inlet = 0; iMarker_Inlet < nMarker_Inlet; iMarker_Inlet++)
     if (Marker_Inlet[iMarker_Inlet] == val_marker) break;
   return Kind_Inc_Inlet[iMarker_Inlet];
 }
 
+
+//WALL_SPECIES_TYPE* CConfig::GetKind_Wall_Species(const string& val_marker) const {
+// unsigned short * CConfig::GetKind_Wall_Species(const string& val_marker) const {
+//   unsigned short iMarker_Wall_Species;
+//   for (iMarker_Wall_Species = 0; iMarker_Wall_Species < nMarker_Wall_Species; iMarker_Wall_Species++)
+//     if (Marker_Wall_Species[iMarker_Wall_Species] == val_marker) break;
+//   return Wall_SpeciesType[iMarker_Wall_Species];
+// }
+
 INC_OUTLET_TYPE CConfig::GetKind_Inc_Outlet(const string& val_marker) const {
   unsigned short iMarker_Outlet;
   for (iMarker_Outlet = 0; iMarker_Outlet < nMarker_Outlet; iMarker_Outlet++)
     if (Marker_Outlet[iMarker_Outlet] == val_marker) break;
@@ -9098,6 +9151,20 @@
   return Inlet_SpeciesVal[iMarker_Inlet_Species];
 }
 
+const su2double* CConfig::GetWall_SpeciesVal(const string& val_marker) const {
+  unsigned short iMarker_Wall_Species;
+  for (iMarker_Wall_Species = 0; iMarker_Wall_Species < nMarker_Wall_Species; iMarker_Wall_Species++)
+    if (Marker_Wall_Species[iMarker_Wall_Species] == val_marker) break;
+  return Wall_SpeciesVal[iMarker_Wall_Species];
+}
+//const WALL_SPECIES_TYPE* CConfig::GetWall_SpeciesType(const string& val_marker) const {
+const unsigned short* CConfig::GetWall_SpeciesType(const string& val_marker) const {
+  unsigned short iMarker_Wall_Species;
+  for (iMarker_Wall_Species = 0; iMarker_Wall_Species < nMarker_Wall_Species; iMarker_Wall_Species++)
+    if (Marker_Wall_Species[iMarker_Wall_Species] == val_marker) break;
+  return Wall_SpeciesType[iMarker_Wall_Species];
+}
+
 const su2double* CConfig::GetInlet_TurbVal(const string& val_marker) const {
   /*--- If Turbulent Inlet is not provided for the marker, return free stream values. ---*/
   for (auto iMarker = 0u; iMarker < nMarker_Inlet_Turb; iMarker++) {