Move PAR_GEOM from discretization to unit_XXX

doc/interface/unit_operations/2d_general_rate_model.rst

@@ -343,6 +343,14 @@ For information on model equations, refer to :ref:`2d_general_rate_model_model`.
    **Type:** int  **Range:** :math:`\geq 1`  **Length:** 1
    =============  =========================  =============
 
+``PAR_GEOM``
+
+   Specifies the particle geometry for all or each particle type. Valid values are :math:`\texttt{SPHERE}`, :math:`\texttt{CYLINDER}`, :math:`\texttt{SLAB}`. Optional, defaults to :math:`\texttt{SPHERE}`.
+
+   ================  =================================================
+   **Type:** string  **Length:** :math:`1` / :math:`\texttt{NPARTYPE}`
+   ================  =================================================
+
 ``PAR_TYPE_VOLFRAC``
 
    Volume fractions of the particle types. The volume fractions can be set homogeneous or individually along both axes. For each cell, the volume fractions have to sum to 1.  In case of a spatially inhomogeneous setting, the :math:`\texttt{SENS_SECTION}` field is used for indexing the axial cell and the :math:`\texttt{SENS_REACTION}` field is used for indexing the radial cell when specifying parameter sensitivities.  This field is optional in case of only one particle type.
@@ -392,14 +400,6 @@ Group /input/model/unit_XXX/discretization - UNIT_TYPE - GENERAL_RATE_MODEL_2D
    **Type:** int  **Range:** :math:`\geq 1`  **Length:** :math:`1 / \texttt{NPARTYPE}`
    =============  =========================  =========================================
 
-``PAR_GEOM``
-
-   Specifies the particle geometry for all or each particle type. Valid values are :math:`\texttt{SPHERE}`, :math:`\texttt{CYLINDER}`, :math:`\texttt{SLAB}`. Optional, defaults to :math:`\texttt{SPHERE}`.
-
-   ================  =================================================
-   **Type:** string  **Length:** :math:`1` / :math:`\texttt{NPARTYPE}`
-   ================  =================================================
-
 ``RADIAL_DISC_TYPE``
 
    Specifies the radial discretization scheme. Valid values are :math:`\texttt{EQUIDISTANT}`, :math:`\texttt{EQUIVOLUME}`, and :math:`\texttt{USER_DEFINED}`.

doc/interface/unit_operations/general_rate_model.rst

@@ -437,6 +437,14 @@ For information on model equations, refer to :ref:`general_rate_model_model`.
    **Type:** int  **Range:** :math:`\geq 1`  **Length:** 1
    =============  =========================  =============
 
+``PAR_GEOM``
+
+   Specifies the particle geometry for all or each particle type. Valid values are :math:`\texttt{SPHERE}`, :math:`\texttt{CYLINDER}`, :math:`\texttt{SLAB}`. Optional, defaults to :math:`\texttt{SPHERE}`.
+
+   ================  =================================================
+   **Type:** string  **Length:** :math:`1` / :math:`\texttt{NPARTYPE}`
+   ================  =================================================
+
 ``PAR_TYPE_VOLFRAC``
 
    Volume fractions of the particle types. The volume fractions can be set for all axial cells together or for each individual axial cell. For each cell, the volume fractions have to sum to :math:`1`. In case of a spatially inhomogeneous setting, the data is expected in cell-major ordering and the :math:`\texttt{SENS_SECTION}` field is used for indexing the axial cell when specifying parameter sensitivities.  This field is optional in case of only one particle type.
@@ -466,14 +474,6 @@ Group /input/model/unit_XXX/discretization - UNIT_TYPE - GENERAL_RATE_MODEL
    **Type:** int  **Range:** :math:`\geq 1`  **Length:** :math:`1` / :math:`\texttt{NPARTYPE}`
    =============  =========================  =================================================
 
-``PAR_GEOM``
-
-   Specifies the particle geometry for all or each particle type. Valid values are :math:`\texttt{SPHERE}`, :math:`\texttt{CYLINDER}`, :math:`\texttt{SLAB}`. Optional, defaults to :math:`\texttt{SPHERE}`.
-
-   ================  =================================================
-   **Type:** string  **Length:** :math:`1` / :math:`\texttt{NPARTYPE}`
-   ================  =================================================
-
 ``PAR_DISC_TYPE``
 
    Specifies the discretization scheme inside the particles for all or each particle type. Valid values are :math:`\texttt{EQUIDISTANT_PAR}`, :math:`\texttt{EQUIVOLUME_PAR}`, and :math:`\texttt{USER_DEFINED_PAR}`.

doc/interface/unit_operations/lumped_rate_model_with_pores.rst

@@ -230,6 +230,14 @@ For information on model equations, refer to :ref:`lumped_rate_model_with_pores_
    **Type:** int  **Range:** :math:`\geq 1`  **Length:** 1
    =============  =========================  =============
 
+``PAR_GEOM``
+
+   Specifies the particle geometry for all or each particle type. Valid values are :math:`\texttt{SPHERE}`, :math:`\texttt{CYLINDER}`, :math:`\texttt{SLAB}`. Optional, defaults to :math:`\texttt{SPHERE}`.
+
+   ================  =================================================
+   **Type:** string  **Length:** :math:`1` / :math:`\texttt{NPARTYPE}`
+   ================  =================================================
+
 ``PAR_TYPE_VOLFRAC``
 
    Volume fractions of the particle types. The volume fractions can be set for all axial cells together or for each individual axial cell. For each cell, the volume fractions have to sum to :math:`1`. In case of a spatially inhomogeneous setting, the data is expected in cell-major ordering and the :math:`\texttt{SENS_SECTION}` field is used for indexing the axial cell when specifying parameter sensitivities.  This field is optional in case of only one particle type.
@@ -251,14 +259,6 @@ Group /input/model/unit_XXX/discretization - UNIT_TYPE = LUMPED_RATE_MODEL_WITH_
    **Type:** int  **Range:** :math:`\geq 1`  **Length:** 1
    =============  =========================  =============
 
-``PAR_GEOM``
-
-   Specifies the particle geometry for all or each particle type. Valid values are :math:`\texttt{SPHERE}`, :math:`\texttt{CYLINDER}`, :math:`\texttt{SLAB}`. Optional, defaults to :math:`\texttt{SPHERE}`.
-
-   ================  =================================================
-   **Type:** string  **Length:** :math:`1` / :math:`\texttt{NPARTYPE}`
-   ================  =================================================
-
 ``USE_ANALYTIC_JACOBIAN``
 
    Determines whether analytically computed Jacobian matrix (faster) is used (value is :math:`1`) instead of Jacobians generated by algorithmic differentiation (slower, value is :math:`0`)

src/libcadet/model/GeneralRateModel.cpp

@@ -273,6 +273,7 @@ bool GeneralRateModel::configureModelDiscretization(IParameterProvider& paramPro
 
 	// Read particle geometry and default to "SPHERICAL"
 	_parGeomSurfToVol = std::vector<double>(_disc.nParType, SurfVolRatioSphere);
+	paramProvider.popScope();
 	if (paramProvider.exists("PAR_GEOM"))
 	{
 		std::vector<std::string> pg = paramProvider.getStringArray("PAR_GEOM");
@@ -296,6 +297,7 @@ bool GeneralRateModel::configureModelDiscretization(IParameterProvider& paramPro
 				throw InvalidParameterException("Unknown particle geometry type \"" + pg[i] + "\" at index " + std::to_string(i) + " of field PAR_GEOM");
 		}
 	}
+	paramProvider.pushScope("discretization");
 
 	if (paramProvider.exists("PAR_DISC_VECTOR"))
 	{

src/libcadet/model/GeneralRateModel2D.cpp

@@ -523,6 +523,7 @@ bool GeneralRateModel2D::configureModelDiscretization(IParameterProvider& paramP
 
 	// Read particle geometry and default to "SPHERICAL"
 	_parGeomSurfToVol = std::vector<double>(_disc.nParType, SurfVolRatioSphere);
+	paramProvider.popScope();
 	if (paramProvider.exists("PAR_GEOM"))
 	{
 		std::vector<std::string> pg = paramProvider.getStringArray("PAR_GEOM");
@@ -546,6 +547,7 @@ bool GeneralRateModel2D::configureModelDiscretization(IParameterProvider& paramP
 				throw InvalidParameterException("Unknown particle geometry type \"" + pg[i] + "\" at index " + std::to_string(i) + " of field PAR_GEOM");
 		}
 	}
+	paramProvider.pushScope("discretization");
 
 	if (paramProvider.exists("PAR_DISC_VECTOR"))
 	{

src/libcadet/model/LumpedRateModelWithPores.cpp

@@ -225,6 +225,8 @@ bool LumpedRateModelWithPores::configureModelDiscretization(IParameterProvider&
 	// Create nonlinear solver for consistent initialization
 	configureNonlinearSolver(paramProvider);
 
+	paramProvider.popScope();
+
 	// Read particle geometry and default to "SPHERICAL"
 	_parGeomSurfToVol = std::vector<double>(_disc.nParType, SurfVolRatioSphere);
 	if (paramProvider.exists("PAR_GEOM"))
@@ -251,8 +253,6 @@ bool LumpedRateModelWithPores::configureModelDiscretization(IParameterProvider&
 		}
 	}
 
-	paramProvider.popScope();
-
 	const bool transportSuccess = _convDispOp.configureModelDiscretization(paramProvider, _disc.nComp, _disc.nCol);
 
 	// Allocate memory