Clang formatting

.clang-format

@@ -0,0 +1,17 @@
+---
+BasedOnStyle: LLVM
+Language: Cpp
+SortIncludes: true
+PointerAlignment: Left
+ColumnLimit: 0
+IndentWidth: 2
+UseTab: Never
+BreakBeforeBraces: GNU
+AllowShortIfStatementsOnASingleLine: false
+IndentCaseLabels: true
+NamespaceIndentation: All
+BreakBeforeBinaryOperators: All
+AlignAfterOpenBracket: true
+BinPackParameters: false
+BinPackArguments: false
+AlignOperands: true

.github/workflows/clang-format.yml

@@ -0,0 +1,32 @@
+name: Clang Format
+
+on:
+  push:
+    branches:
+      - master
+      - "feature/**"
+
+jobs:
+  clang_format:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v4
+
+      - name: Install clang-format
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y clang-format
+
+      - name: Check code formatting
+        run: |
+          ${{ github.workspace }}/scripts/clang-format/format.sh \
+            --clang_format_file ${{ github.workspace }}/.clang-format \
+            --directories ${{ github.workspace }}/src ${{ github.workspace }}/include ${{ github.workspace }}/tests
+          clang_format_diff=$(git diff)
+          if [[ -n "$clang_format_diff" ]]; then
+            echo "Found formatting errors:"
+            echo "$clang_format_diff"
+            exit 1
+          fi

.gitignore

@@ -50,3 +50,5 @@ doc/**/*.nav
 doc/**/*.snm
 doc/**/*.text.backup
 
+# vscode
+.vscode

include/applications/reactors/base.hpp

@@ -1,71 +1,65 @@
 #ifndef APP_REACTORS_BASE_HPP
 #define APP_REACTORS_BASE_HPP
 
-#include <vector>
-#include <limits>
-#include <numeric>
 #include <algorithm>
+#include <limits>
 #include <memory>
+#include <numeric>
+#include <vector>
 
 #include "chemistry.hpp"
-#include "sundials/cvode/interface.hpp"
-#include "results/observer.hpp"
 #include "embedded_python/functions.hpp"
+#include "results/observer.hpp"
+#include "sundials/cvode/interface.hpp"
+
+namespace Apps
+{
 
-namespace Apps {
-
-  namespace Reactor {
+  namespace Reactor
+  {
 
-    enum class Type {
-        Const_Pres
-      , Const_Vol
-      , Const_Temp_Pres
-      , Const_Temp_Vol
+    enum class Type
+    {
+      Const_Pres,
+      Const_Vol,
+      Const_Temp_Pres,
+      Const_Temp_Vol
     };
 
     // ------------------
     // --- class Base ---
     // ------------------
-
-    class Base : public SUNDIALS::CVODE::Client
-               , public Results::Subject {
-
-    public:
 
+    class Base : public SUNDIALS::CVODE::Client, public Results::Subject
+    {
+
+    public:
       Base();
-
-      Base( Cantera::ThermoPhase& thermo
-            , Cantera::Kinetics& kinetics
-            , double const temperature
-            , double const pressure
-            , std::vector<double> const& mass_fractions
-            , double const relative_solver_tolerance
-            , double const absolute_solver_tolerance
-            , double const total_simulation_time
-            , bool const write_results );
+
+      Base(Cantera::ThermoPhase& thermo, Cantera::Kinetics& kinetics, double const temperature, double const pressure, std::vector<double> const& mass_fractions, double const relative_solver_tolerance, double const absolute_solver_tolerance, double const total_simulation_time, bool const write_results);
 
       virtual ~Base() = default;
 
-      Base( Base const& ) = delete;
-      
-      Base& operator=( Base const& ) = delete;
+      Base(Base const&) = delete;
+
+      Base& operator=(Base const&) = delete;
 
       double Temperature() const;
-      
+
       double Pressure() const;
-      
+
       double Density() const;
-      
+
       std::vector<double> const& MassFractions() const;
-
-      int RightHandSide( realtype const /*time*/
-                         , realtype* const state
-                         , realtype* rhs ) override;
 
-      void StoreResults( double const time );
+      int RightHandSide(realtype const /*time*/
+                        ,
+                        realtype* const state,
+                        realtype* rhs) override;
 
-    protected:
+      void StoreResults(double const time);
 
+    protected:
       Cantera::ThermoPhase& m_thermo;
       Cantera::Kinetics& m_kinetics;
       size_t m_nspecs;
@@ -74,16 +68,14 @@ namespace Apps {
       double m_pressure;                          // unit = [Pa] = [kg/m/s^2]
       std::vector<double> m_mass_fractions;       // unit = [-]
       std::vector<double> m_net_production_rates; // unit = [kmol/m^3/s]
-
 
       void SetInitialState();
 
-      virtual void SetThermoState( realtype const * const state ) = 0;
-
-      void SpeciesDerivative( realtype* const derivative );
+      virtual void SetThermoState(realtype const* const state) = 0;
 
-    private:
+      void SpeciesDerivative(realtype* const derivative);
 
+    private:
       std::vector<double> m_molecular_weights; // unit = [kg/kmol]
       double m_time;
       double m_relative_solver_tolerance;
@@ -92,62 +84,51 @@ namespace Apps {
       bool m_write_results;
 
       void CompleteInstantiation();
-      
+
       void SetSolverParameters();
-      
+
       void RegisterBasicResults();
 
       virtual void UpdateSolution();
-
     };
 
     // ------------------------------------------------------------------------
     // --- class EnergyEnabled
     // ------------------------------------------------------------------------
-
-    class EnergyEnabled: public Base {
+
+    class EnergyEnabled : public Base
+    {
     public:
-
-      EnergyEnabled( Cantera::ThermoPhase& thermo
-                     , Cantera::Kinetics& kinetics
-                     , double const temperature
-                     , double const pressure
-                     , std::vector<double> const& mass_fractions
-                     , double const relative_solver_tolerance
-                     , double const absolute_solver_tolerance
-                     , double const total_simulation_time
-                     , bool const write_results );
-
+      EnergyEnabled(Cantera::ThermoPhase& thermo, Cantera::Kinetics& kinetics, double const temperature, double const pressure, std::vector<double> const& mass_fractions, double const relative_solver_tolerance, double const absolute_solver_tolerance, double const total_simulation_time, bool const write_results);
+
       virtual ~EnergyEnabled() = default;
 
-      EnergyEnabled( EnergyEnabled const& ) = delete;
-      
-      EnergyEnabled& operator=( EnergyEnabled const& ) = delete;
+      EnergyEnabled(EnergyEnabled const&) = delete;
+
+      EnergyEnabled& operator=(EnergyEnabled const&) = delete;
 
       void UpdateSolution() override;
-
-      int RightHandSide( realtype const /*time*/
-                         , realtype* const state
-                         , realtype* rhs ) override;
-
+
+      int RightHandSide(realtype const /*time*/
+                        ,
+                        realtype* const state,
+                        realtype* rhs) override;
+
     protected:
-
       std::vector<double> m_energy; // enthalpy or internal energy [J/kmol]
 
       void SetInitialState();
-      
-      virtual void SetThermoState( realtype const * const state ) = 0;
-            
+
+      virtual void SetThermoState(realtype const* const state) = 0;
+
       virtual double EnergyDerivative() = 0;
 
     private:
-
       void RegisterAdditionalResults();
     };
 
-
   } // namespace Reactor
-  
+
 } // namespace Apps
 
 #endif // APP_REACTORS_BASE_HPP

include/applications/reactors/factory.hpp

@@ -6,69 +6,32 @@
 #include "applications/reactors/base.hpp"
 #include "applications/reactors/reactors.hpp"
 
-namespace Apps {
-
-  namespace Reactor {
+namespace Apps
+{
 
-    inline std::unique_ptr<Base> Create( Type const reactor_type
-                                         , Cantera::ThermoPhase& thermo
-                                         , Cantera::Kinetics& kinetics
-                                         , double const temperature
-                                         , double const pressure
-                                         , std::vector<double> const& mass_fractions
-                                         , double const relative_solver_tolerance
-                                         , double const absolute_solver_tolerance
-                                         , double const total_simulation_time
-                                         , bool const write_results ) {
-      switch( reactor_type ) {
-      case Type::Const_Pres :
-        return std::make_unique<ConstPres>( thermo
-                                            , kinetics
-                                            , temperature
-                                            , pressure
-                                            , mass_fractions
-                                            , relative_solver_tolerance
-                                            , absolute_solver_tolerance
-                                            , total_simulation_time
-                                            , write_results);
-      case Type::Const_Vol :
-        return std::make_unique<ConstVol>( thermo
-                                           , kinetics
-                                           , temperature
-                                           , pressure
-                                           , mass_fractions
-                                           , relative_solver_tolerance
-                                           , absolute_solver_tolerance
-                                           , total_simulation_time
-                                           , write_results );
-      case Type::Const_Temp_Pres :
-        return std::make_unique<ConstTempPres>( thermo
-                                                , kinetics
-                                                , temperature
-                                                , pressure
-                                                , mass_fractions
-                                                , relative_solver_tolerance
-                                                , absolute_solver_tolerance
-                                                , total_simulation_time
-                                                , write_results );
-      case Type::Const_Temp_Vol :
-        return std::make_unique<ConstTempVol>( thermo
-                                               , kinetics
-                                               , temperature
-                                               , pressure
-                                               , mass_fractions
-                                               , relative_solver_tolerance
-                                               , absolute_solver_tolerance
-                                               , total_simulation_time
-                                               , write_results );
-      default :
-        throw( "Invalid reactor" );
-        return nullptr;
-      }
+  namespace Reactor
+  {
+
+    inline std::unique_ptr<Base> Create(Type const reactor_type, Cantera::ThermoPhase& thermo, Cantera::Kinetics& kinetics, double const temperature, double const pressure, std::vector<double> const& mass_fractions, double const relative_solver_tolerance, double const absolute_solver_tolerance, double const total_simulation_time, bool const write_results)
+    {
+      switch (reactor_type)
+        {
+          case Type::Const_Pres:
+            return std::make_unique<ConstPres>(thermo, kinetics, temperature, pressure, mass_fractions, relative_solver_tolerance, absolute_solver_tolerance, total_simulation_time, write_results);
+          case Type::Const_Vol:
+            return std::make_unique<ConstVol>(thermo, kinetics, temperature, pressure, mass_fractions, relative_solver_tolerance, absolute_solver_tolerance, total_simulation_time, write_results);
+          case Type::Const_Temp_Pres:
+            return std::make_unique<ConstTempPres>(thermo, kinetics, temperature, pressure, mass_fractions, relative_solver_tolerance, absolute_solver_tolerance, total_simulation_time, write_results);
+          case Type::Const_Temp_Vol:
+            return std::make_unique<ConstTempVol>(thermo, kinetics, temperature, pressure, mass_fractions, relative_solver_tolerance, absolute_solver_tolerance, total_simulation_time, write_results);
+          default:
+            throw("Invalid reactor");
+            return nullptr;
+        }
     }
-    
+
   } // namespace Reactor
-  
+
 } // namespace Apps
 
 #endif // APP_REACTORS_FACTORY_HPP