Add rapid equilibrium reactions for CSTR

src/libcadet/Memory.hpp

@@ -353,6 +353,14 @@ namespace cadet
 
 		explicit operator T*() const { return _ptr; }
 
+		// method to copy elements from std::vector
+		void copyFromVector(const std::vector<T>& vec) {
+			if (vec.size() > _numElements) {
+				throw std::out_of_range("Vector size exceeds BufferedArray size");
+			}
+			std::copy(vec.begin(), vec.end(), _ptr);
+		}
+
 	private:
 		BufferedArray(T* ptr, unsigned int numElements) : _ptr(ptr), _numElements(numElements) { }
 

src/libcadet/model/LumpedRateModelWithPores-InitialConditions.cpp

@@ -593,7 +593,6 @@ void LumpedRateModelWithPores<ConvDispOperator>::consistentInitialState(const Si
 	}
 
 	// Step 1b: Compute fluxes j_f
-
 	// Reset j_f to 0.0
 	double* const jf = vecStateY + idxr.offsetJf();
 	std::fill(jf, jf + _disc.nComp * _disc.nCol * _disc.nParType, 0.0);

src/libcadet/model/LumpedRateModelWithPores-LinearSolver.cpp

@@ -133,6 +133,7 @@ int LumpedRateModelWithPores<ConvDispOperator>::linearSolve(double t, double alp
 		{
 			// Assemble and factorize discretized bulk Jacobian
 			const bool result = _convDispOp.assembleAndFactorizeDiscretizedJacobian(alpha);
+
 			if (cadet_unlikely(!result))
 			{
 				LOG(Error) << "Factorize() failed for bulk block";

src/libcadet/model/LumpedRateModelWithPores.cpp

@@ -355,6 +355,7 @@ bool LumpedRateModelWithPores<ConvDispOperator>::configureModelDiscretization(IP
 
 		if (_dynReactionBulk->usesParamProviderInDiscretizationConfig())
 			paramProvider.popScope();
+
 	}
 
 	clearDynamicReactionModels();
@@ -563,6 +564,7 @@ bool LumpedRateModelWithPores<ConvDispOperator>::configure(IParameterProvider& p
 	{
 		paramProvider.pushScope("reaction_bulk");
 		dynReactionConfSuccess = _dynReactionBulk->configure(paramProvider, _unitOpIdx, ParTypeIndep);
+		_convDispOp.setDynamicReactionBulk(_dynReactionBulk);
 		paramProvider.popScope();
 	}
 

src/libcadet/model/ReactionModel.hpp

@@ -315,6 +315,26 @@ class IDynamicReactionModel
 	 */
 	virtual unsigned int numReactionsCombined() const CADET_NOEXCEPT = 0;
 
+	// conserved moitie methods: 
+	virtual auto numConservedMoities() const CADET_NOEXCEPT -> unsigned int  { return 0; }
+
+	virtual auto configureConservedMoity() -> bool{ return false;}
+
+	virtual auto matrixMoietiesBulk() -> Eigen::Matrix<active, Eigen::Dynamic, Eigen::Dynamic> { return Eigen::Matrix<active, Eigen::Dynamic, Eigen::Dynamic>(0, 0); }
+
+	virtual auto quasiStationaryComponentMap() const -> std::vector<int> { return std::vector<int>{0}; }
+
+	virtual auto algIdx()const -> std::vector<int> { return std::vector<int>{0}; }
+
+	virtual auto consMoityIdx() -> std::vector<int> { return std::vector<int>{0}; }
+
+	virtual auto numReactionQuasiStationary() const -> unsigned int { return 0; }
+
+	virtual auto  hasQuasiStationaryReactionsBulk() const CADET_NOEXCEPT -> bool { return false; }
+
+	virtual void timeDerivativeQuasiStationaryReaction(double t, unsigned int secIdx, const ColumnPosition& colPos, double const* y, double* dY, LinearBufferAllocator workSpace) const {}
+
+
 protected:
 };