DOC: moleFractions: improve header-file doc and style consistency

INT: moleFractions: add phaseName support

src/thermophysicalModels/reactionThermo/functionObjects/moleFractions/moleFractions.C

@@ -5,7 +5,8 @@
     \\  /    A nd           | www.openfoam.com
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
-    Copyright (C) 2016-2017 OpenFOAM Foundation
+    Copyright (C) 2016-2020 OpenFOAM Foundation
+    Copyright (C) 2020 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -31,10 +32,13 @@ License
 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
 
 template<class ThermoType>
-void Foam::moleFractions<ThermoType>::calculateMoleFractions()
+void Foam::moleFractions<ThermoType>::calcMoleFractions()
 {
-    const ThermoType& thermo =
-        mesh_.lookupObject<ThermoType>(basicThermo::dictName);
+    const auto& thermo =
+        mesh_.lookupObject<ThermoType>
+        (
+            IOobject::groupName(basicThermo::dictName, phaseName_)
+        );
 
     const PtrList<volScalarField>& Y = thermo.composition().Y();
 
@@ -44,7 +48,6 @@ void Foam::moleFractions<ThermoType>::calculateMoleFractions()
     {
         const dimensionedScalar Wi
         (
-            "W",
             dimMass/dimMoles,
             thermo.composition().W(i)
         );
@@ -64,14 +67,19 @@ Foam::moleFractions<ThermoType>::moleFractions
     const dictionary& dict
 )
 :
-    fvMeshFunctionObject(name, runTime, dict)
+    fvMeshFunctionObject(name, runTime, dict),
+    phaseName_(dict.getOrDefault<word>("phase", word::null))
 {
-    const ThermoType* thermo =
-        mesh_.findObject<ThermoType>(basicThermo::dictName);
+    const word dictName
+    (
+        IOobject::groupName(basicThermo::dictName, phaseName_)
+    );
 
-    if (thermo)
+    if (mesh_.foundObject<ThermoType>(dictName))
     {
-        const PtrList<volScalarField>& Y = thermo->composition().Y();
+        const auto& thermo = mesh_.lookupObject<ThermoType>(dictName);
+
+        const PtrList<volScalarField>& Y = thermo.composition().Y();
 
         X_.setSize(Y.size());
 
@@ -96,10 +104,19 @@ Foam::moleFractions<ThermoType>::moleFractions
             );
         }
 
-        calculateMoleFractions();
+        calcMoleFractions();
     }
     else
     {
+        if (phaseName_ != word::null)
+        {
+            FatalErrorInFunction
+                << "Cannot find thermodynamics model of type "
+                << ThermoType::typeName
+                << " for phase " << phaseName_
+                << exit(FatalError);
+        }
+
         FatalErrorInFunction
             << "Cannot find thermodynamics model of type "
             << ThermoType::typeName
@@ -108,13 +125,6 @@ Foam::moleFractions<ThermoType>::moleFractions
 }
 
 
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-template<class ThermoType>
-Foam::moleFractions<ThermoType>::~moleFractions()
-{}
-
-
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 template<class ThermoType>
@@ -123,21 +133,23 @@ bool Foam::moleFractions<ThermoType>::read
     const dictionary& dict
 )
 {
-    return true;
-}
+    if (functionObjects::fvMeshFunctionObject::read(dict))
+    {
+        phaseName_ = dict.getOrDefault<word>("phase", word::null);
 
+        return true;
+    }
 
-template<class ThermoType>
-bool Foam::moleFractions<ThermoType>::execute()
-{
-    calculateMoleFractions();
-    return true;
+    return false;
 }
 
 
+
 template<class ThermoType>
-bool Foam::moleFractions<ThermoType>::write()
+bool Foam::moleFractions<ThermoType>::execute()
 {
+    calcMoleFractions();
+
     return true;
 }
 

src/thermophysicalModels/reactionThermo/functionObjects/moleFractions/moleFractions.H

@@ -5,7 +5,8 @@
     \\  /    A nd           | www.openfoam.com
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
-    Copyright (C) 2016 OpenFOAM Foundation
+    Copyright (C) 2016-2020 OpenFOAM Foundation
+    Copyright (C) 2020 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -30,34 +31,67 @@ Group
     grpThermophysicalFunctionObjects
 
 Description
-    This function object calculates mole-fraction fields from the mass-fraction
-    fields of the psi/rhoReactionThermo and caches them for output and further
-    post-processing.
-
-    The names of the mole-fraction fields are obtained from the corresponding
-    mass-fraction fields prepended by "X_"
-
-    Example of function object specification:
+    Calculates mole-fraction fields from the mass-fraction
+    fields of the psi/rhoReactionThermo and caches them
+    for output and further post-processing.
+
+    The names of the mole-fraction fields are obtained from
+    the corresponding mass-fraction fields prepended by "X_".
+
+    Operands:
+    \table
+      Operand        | Type           | Location
+      input          | -              | -
+      output file    | -              | -
+      output field   | volScalarField | $FOAM_CASE/\<time\>/\<outField\>
+    \endtable
+
+Usage
+    Minimal example by using \c system/controlDict.functions:
     \verbatim
-    moleFractions
+    moleFractions1
     {
-        type psiReactionThermoMoleFractions;
-    }
-    \endverbatim
-    or
-    \verbatim
-    moleFractions
-    {
-        type rhoReactionThermoMoleFractions;
+        // Conditional mandatory entries (unmodifiable)
+        // Either of the below depending on
+        // the thermodynamics package used in the solver.
+
+            // Option-1
+            type                 psiReactionThermoMoleFractions;
+
+            // Option-2
+            type                 rhoReactionThermoMoleFractions;
+
+        // Mandatory entries (unmodifiable)
+        libs                 (fieldFunctionObjects);
+
+        // Optional entries (runtime modifiable)
+        phase                <phaseName>;
+
+        // Optional (inherited) entries
+        ...
     }
     \endverbatim
-    depending on the thermodynamics package used in the solver.
+
+    where the entries mean:
+    \table
+      Property | Description                         | Type | Reqd | Dflt
+      type     | Type name: psiReactionThermoMoleFractions or <!--
+                --> rhoReactionThermoMoleFractions   | word | yes  | -
+      libs     | Library name: fieldFunctionObjects  | word | yes  | -
+      phase    | Name of phase (e.g. "gas")          | word | no   | ""
+    \endtable
+
+    The inherited entries are elaborated in:
+     - \link functionObject.H \endlink
+
+    Usage by the \c postProcess utility is not available.
 
 See also
     Foam::functionObjects::fvMeshFunctionObject
 
 SourceFiles
     moleFractions.C
+    moleFractionsFunctionObjects.C
 
 \*---------------------------------------------------------------------------*/
 
@@ -81,22 +115,19 @@ class moleFractions
 :
     public functionObjects::fvMeshFunctionObject
 {
-    // Private data
+    // Private Data
 
         //- Species mole fractions
         PtrList<volScalarField> X_;
 
+        //- Name of phase
+        word phaseName_;
+
 
     // Private Member Functions
 
         //- Calculate the mole fraction fields
-        virtual void calculateMoleFractions();
-
-        //- No copy construct
-        moleFractions(const moleFractions&) = delete;
-
-        //- No copy assignment
-        void operator=(const moleFractions&) = delete;
+        virtual void calcMoleFractions();
 
 
 public:
@@ -115,21 +146,30 @@ public:
             const dictionary& dict
         );
 
+        //- No copy construct
+        moleFractions(const moleFractions&) = delete;
+
+        //- No copy assignment
+        void operator=(const moleFractions&) = delete;
+
 
     //- Destructor
-    virtual ~moleFractions();
+    virtual ~moleFractions() = default;
 
 
     // Member Functions
 
         //- Read the moleFractions data
-        virtual bool read(const dictionary&);
+        virtual bool read(const dictionary& dict);
 
         //- Calculate the mole-fraction fields
         virtual bool execute();
 
-        //- The mole-fraction fields auto-write
-        virtual bool write();
+        //- The mole-fraction fields auto-write - no-op
+        virtual bool write()
+        {
+            return true;
+        }
 };