ENH: add hashedWordList find, appendUniq methods

- aligns calling signatures with wordList, for possible future
  replacement

- drop construct from const char** (can use initializer_list instead)

ENH: replace hashedWordList with plain wordList in triSurfaceLoader

- additional hashing optimisation (and overhead) is not worth it for
  the comparatively small lists of surfaces used.

applications/solvers/combustion/fireFoam/createFieldRefs.H

@@ -1,4 +1,4 @@
 const volScalarField& psi = thermo.psi();
 const volScalarField& T = thermo.T();
 regionModels::surfaceFilmModel& surfaceFilm = tsurfaceFilm();
-const label inertIndex(composition.species()[inertSpecie]);
+const label inertIndex(composition.species().find(inertSpecie));

applications/solvers/combustion/reactingFoam/createFieldRefs.H

@@ -1,3 +1,3 @@
 const volScalarField& psi = thermo.psi();
 const volScalarField& T = thermo.T();
-const label inertIndex(composition.species()[inertSpecie]);
+const label inertIndex(composition.species().find(inertSpecie));

applications/solvers/combustion/reactingFoam/rhoReactingBuoyantFoam/createFieldRefs.H

@@ -1,3 +1,3 @@
 const volScalarField& psi = thermo.psi();
 const volScalarField& T = thermo.T();
-const label inertIndex(composition.species()[inertSpecie]);
+const label inertIndex(composition.species().find(inertSpecie));

applications/solvers/combustion/reactingFoam/rhoReactingFoam/createFieldRefs.H

@@ -1,3 +1,3 @@
 const volScalarField& psi = thermo.psi();
 const volScalarField& T = thermo.T();
-const label inertIndex(composition.species()[inertSpecie]);
+const label inertIndex(composition.species().find(inertSpecie));

applications/solvers/heatTransfer/chtMultiRegionFoam/fluid/setRegionFluidFields.H

@@ -12,15 +12,15 @@
     if (Y.size())
     {
         const word inertSpecie(thermo.get<word>("inertSpecie"));
-        if (!composition.species().found(inertSpecie))
+        inertIndex = composition.species().find(inertSpecie);
+        if (inertIndex < 0)
         {
             FatalIOErrorIn(args.executable().c_str(), thermo)
                 << "Inert specie " << inertSpecie
                 << " not found in available species "
-                << composition.species()
+                << flatOutput(composition.species())
                 << exit(FatalIOError);
         }
-        inertIndex = composition.species()[inertSpecie];
     }
 
     volScalarField& rho = rhoFluid[i];

applications/solvers/lagrangian/coalChemistryFoam/createFieldRefs.H

@@ -1,4 +1,4 @@
 const volScalarField& T = thermo.T();
 const volScalarField& psi = thermo.psi();
 
-const label inertIndex(composition.species()[inertSpecie]);
+const label inertIndex(composition.species().find(inertSpecie));

applications/solvers/lagrangian/reactingParcelFoam/createFieldRefs.H

@@ -1,4 +1,4 @@
-const label inertIndex(composition.species()[inertSpecie]);
+const label inertIndex(composition.species().find(inertSpecie));
 
 const volScalarField& T = thermo.T();
 const volScalarField& psi = thermo.psi();

applications/solvers/lagrangian/reactingParcelFoam/simpleReactingParcelFoam/createFieldRefs.H

@@ -1,3 +1,3 @@
 const volScalarField& psi = thermo.psi();
 const volScalarField& T = thermo.T();
-const label inertIndex(composition.species()[inertSpecie]);
+const label inertIndex(composition.species().find(inertSpecie));

applications/solvers/lagrangian/simpleCoalParcelFoam/createFieldRefs.H

@@ -1,3 +1,3 @@
 const volScalarField& psi = thermo.psi();
 const volScalarField& T = thermo.T();
-const label inertIndex(composition.species()[inertSpecie]);
+const label inertIndex(composition.species().find(inertSpecie));

applications/solvers/lagrangian/sprayFoam/createFieldRefs.H

@@ -1,3 +1,3 @@
 const volScalarField& T = thermo.T();
 const volScalarField& psi = thermo.psi();
-const label inertIndex(composition.species()[inertSpecie]);
+const label inertIndex(composition.species().find(inertSpecie));

src/OpenFOAM/primitives/strings/lists/hashedWordList.C

@@ -5,7 +5,7 @@
     \\  /    A nd           | www.openfoam.com
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
-    Copyright (C) 2016-2018 OpenCFD Ltd.
+    Copyright (C) 2016-2022 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -26,43 +26,17 @@ License
 \*---------------------------------------------------------------------------*/
 
 #include "hashedWordList.H"
-#include "CStringList.H"
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-Foam::hashedWordList::hashedWordList
-(
-    const label len,
-    const char** array,
-    bool unique
-)
-:
-    wordList(len)
-{
-    for (label i=0; i < len; ++i)
-    {
-        wordList::operator[](i) = array[i];
-    }
-
-    rehash(unique);
-}
-
-
-Foam::hashedWordList::hashedWordList(const char** array, bool unique)
-:
-    hashedWordList(CStringList::count(array), array, unique)
-{}
-
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 void Foam::hashedWordList::rehash() const
 {
-    lookup_.clear();
-
     const wordUList& list = *this;
     const label len = list.size();
 
+    lookup_.clear();
+    lookup_.resize(2*len);
+
     for (label i = 0; i < len; ++i)
     {
         lookup_.insert(list[i], i);
@@ -72,12 +46,14 @@ void Foam::hashedWordList::rehash() const
 
 void Foam::hashedWordList::uniq()
 {
-    lookup_.clear();
-
     wordList& list = *this;
     const label len = list.size();
 
+    lookup_.clear();
+    lookup_.resize(2*len);
+
     label count = 0;
+
     for (label i = 0; i < len; ++i)
     {
         word& item = list[i];

src/OpenFOAM/primitives/strings/lists/hashedWordList.H

@@ -6,7 +6,7 @@
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
     Copyright (C) 2011-2016 OpenFOAM Foundation
-    Copyright (C) 2016-2020 OpenCFD Ltd.
+    Copyright (C) 2016-2022 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -37,8 +37,8 @@ SourceFiles
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef hashedWordList_H
+#ifndef Foam_hashedWordList_H
-#define hashedWordList_H
+#define Foam_hashedWordList_H
 
 #include "wordList.H"
 #include "HashTable.H"
@@ -68,10 +68,10 @@ public:
         //- Default construct an empty list
         hashedWordList() = default;
 
-        //- Copy construct.
+        //- Copy construct
         inline hashedWordList(const hashedWordList& list);
 
-        //- Move construct.
+        //- Move construct
         inline hashedWordList(hashedWordList&& list);
 
         //- Copy construct from list of words
@@ -95,16 +95,8 @@ public:
             const HashTable<AnyType, word, AnyHash>& tbl
         );
 
-        //- Construct from number and list of words,
-        //  optionally eliminating duplicates
-        hashedWordList(const label len, const char** array, bool unique=false);
-
-        //- Construct from a nullptr-terminated list of words,
-        //- optionally eliminating duplicates
-        hashedWordList(const char** array, bool unique=false);
-
         //- Construct from Istream
-        inline hashedWordList(Istream& is);
+        inline explicit hashedWordList(Istream& is);
 
 
     // Member Functions
@@ -112,12 +104,13 @@ public:
         //- Clear the list, i.e. set size to zero.
         inline void clear();
 
-        //- Append an element at the end of the list,
+        //- Append an element if not already in the list.
-        //- optionally avoid append if it would be a duplicate entry
+        FOAM_DEPRECATED_FOR(2022-05, "appendUniq method")
-        inline void append(const word& name, bool unique=false);
+        inline void append(const word& val);
 
-        //- Search hashed values for the specified name
+        //- Append an element if not already in the list.
-        inline bool found(const word& name) const;
+        //  \return the change in list length
+        inline label appendUniq(const word& val);
 
         //- Return the hash of words/indices for inspection
         inline const HashTable<label>& lookup() const;
@@ -143,22 +136,33 @@ public:
         //- and rehash the indices
         void uniq();
 
-        //- Sort the list and rehash the indices
+        //- Inplace sort list and rehash the indices
         inline void sort();
 
 
+    // Search
+
+        //- Find index of the value (searches the hash).
+        //  \return position in list or -1 if not found.
+        inline label find(const word& val) const;
+
+        //- True if the value if found in the list (searches the hash).
+        inline bool found(const word& val) const;
+
+
     // Member Operators
 
         //- Return name corresponding to specified index.
         //  Fatal for out of range values.
         inline const word& operator[](const label index) const;
 
-        //- Return index corresponding to specified name, or -1 on failure
+        //- Find index of the value (searches the hash) - same as find().
-        inline label operator[](const word& name) const;
+        //  \return position in list or -1 if not found.
+        inline label operator[](const word& val) const;
 
-        //- Check hashed values for the specified name - same as found.
+        //- Check hashed values for the specified name - same as found().
         //  Can be used as a unary predicate.
-        inline bool operator()(const word& name) const;
+        inline bool operator()(const word& val) const;
 
 
     // Assignment
@@ -184,10 +188,7 @@ public:
         //- Deprecated(2019-01) Is the specified name found in the list?
         //  \deprecated(2019-01) - use found() method
         FOAM_DEPRECATED_FOR(2019-01, "found() method")
-        bool contains(const word& name) const
+        bool contains(const word& val) const { return this->found(val); }
-        {
-            return this->found(name);
-        }
 };
 
 

src/OpenFOAM/primitives/strings/lists/hashedWordListI.H

@@ -5,7 +5,7 @@
     \\  /    A nd           | www.openfoam.com
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
-    Copyright (C) 2016-2019 OpenCFD Ltd.
+    Copyright (C) 2016-2022 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -76,17 +76,9 @@ inline Foam::hashedWordList::hashedWordList
     const HashTable<AnyType, word, AnyHash>& tbl
 )
 :
-    wordList(tbl.size())
+    wordList(tbl.sortedToc())
 {
-    wordList& list = *this;
+    rehash();
-
-    label count = 0;
-    for (auto iter = tbl.cbegin(); iter != tbl.cend(); ++iter)
-    {
-        list[count++] = iter.key();
-    }
-
-    this->sort();
 }
 
 
@@ -105,16 +97,27 @@ inline void Foam::hashedWordList::clear()
 }
 
 
-inline void Foam::hashedWordList::append(const word& name, bool unique)
+inline void Foam::hashedWordList::append(const word& val)
 {
-    // name is either unique or we don't care about duplicates
+    if (lookup_.insert(val, size()))
-    if (lookup_.insert(name, size()) || !unique)
     {
-        wordList::append(name);
+        wordList::append(val);
     }
 }
 
 
+inline Foam::label Foam::hashedWordList::appendUniq(const word& val)
+{
+    if (lookup_.insert(val, size()))
+    {
+        wordList::append(val);
+        return 1;  // Increased list length by one
+    }
+
+    return 0;  // No change
+}
+
+
 inline const Foam::HashTable<Foam::label>&
 Foam::hashedWordList::lookup() const
 {
@@ -130,17 +133,15 @@ Foam::hashedWordList::lookup() const
 }
 
 
-// TBD (2019-01-07) - overload find() for consistency?
+inline Foam::label Foam::hashedWordList::find(const word& val) const
-//
-// inline Foam::label Foam::hashedWordList::find(const word& name) const
-// {
-//     return lookup().lookup(name, -1);  // -1 = not found or not hashed
-// }
-
-
-inline bool Foam::hashedWordList::found(const word& name) const
 {
-    return lookup().found(name);
+    return lookup().lookup(val, -1);  // -1 = not found or not hashed
+}
+
+
+inline bool Foam::hashedWordList::found(const word& val) const
+{
+    return lookup().found(val);
 }
 
 
@@ -201,15 +202,15 @@ inline const Foam::word& Foam::hashedWordList::operator[]
 }
 
 
-inline Foam::label Foam::hashedWordList::operator[](const word& name) const
+inline Foam::label Foam::hashedWordList::operator[](const word& val) const
 {
-    return lookup_.lookup(name, -1);  // -1 = not found or not hashed
+    return lookup_.lookup(val, -1);  // -1 = not found or not hashed
 }
 
 
-inline bool Foam::hashedWordList::operator()(const word& name) const
+inline bool Foam::hashedWordList::operator()(const word& val) const
 {
-    return lookup_.found(name);
+    return lookup_.found(val);
 }
 
 

src/combustionModels/diffusionMulticomponent/diffusionMulticomponent.C

@@ -80,8 +80,8 @@ diffusionMulticomponent<ReactionThermo, ThermoType>::init()
         const List<specieCoeffs>& lhs = reactions_[k].lhs();
         const List<specieCoeffs>& rhs = reactions_[k].rhs();
 
-        const label fuelIndex = species[fuelNames_[k]];
+        const label fuelIndex = species.find(fuelNames_[k]);
-        const label oxidantIndex = species[oxidantNames_[k]];
+        const label oxidantIndex = species.find(oxidantNames_[k]);
 
         const scalar Wu = specieThermo_[fuelIndex].W();
         const scalar Wox = specieThermo_[oxidantIndex].W();
@@ -216,7 +216,7 @@ diffusionMulticomponent<ReactionThermo, ThermoType>::correct()
             volScalarField& Rijl = RijlPtr[k];
 
             // Obtain individual reaction rates for each reaction
-            const label fuelIndex = species[fuelNames_[k]];
+            const label fuelIndex = species.find(fuelNames_[k]);
 
             if (laminarIgn_)
             {
@@ -247,8 +247,8 @@ diffusionMulticomponent<ReactionThermo, ThermoType>::correct()
 
         for (label k=0; k < nReactions; k++)
         {
-            const label fuelIndex = species[fuelNames_[k]];
+            const label fuelIndex = species.find(fuelNames_[k]);
-            const label oxidantIndex = species[oxidantNames_[k]];
+            const label oxidantIndex = species.find(oxidantNames_[k]);
 
             const volScalarField& Yfuel =
                 this->thermo().composition().Y(fuelIndex);
@@ -381,7 +381,7 @@ Foam::combustionModels::diffusionMulticomponent<ReactionThermo, ThermoType>::R
     if (this->active())
     {
         const label specieI =
-            this->thermo().composition().species()[Y.member()];
+            this->thermo().composition().species().find(Y.member());
 
         Su += this->chemistryPtr_->RR(specieI);
     }

src/combustionModels/laminar/laminar.C

@@ -130,7 +130,7 @@ Foam::combustionModels::laminar<ReactionThermo>::R(volScalarField& Y) const
     if (this->active())
     {
         const label specieI =
-            this->thermo().composition().species()[Y.member()];
+            this->thermo().composition().species().find(Y.member());
 
         Su += this->chemistryPtr_->RR(specieI);
     }

src/combustionModels/singleStepCombustion/singleStepCombustion.C

@@ -106,7 +106,7 @@ tmp<fvScalarMatrix> singleStepCombustion<ReactionThermo, ThermoType>::R
 ) const
 {
     const label specieI =
-        this->thermo().composition().species()[Y.member()];
+        this->thermo().composition().species().find(Y.member());
 
     volScalarField wSpecie
     (

src/meshTools/triSurface/triSurfaceLoader/triSurfaceLoader.C

@@ -5,7 +5,7 @@
     \\  /    A nd           | www.openfoam.com
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
-    Copyright (C) 2017-2018 OpenCFD Ltd.
+    Copyright (C) 2017-2022 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -88,7 +88,7 @@ Foam::label Foam::triSurfaceLoader::readDir()
             names.insert(f.name());
         }
     }
-    available_ = names.sortedToc();     // Also hashes the names
+    available_ = names.sortedToc();
 
     return available_.size();
 }
@@ -105,7 +105,8 @@ Foam::label Foam::triSurfaceLoader::select(const word& name)
 {
     if (available_.found(name))
     {
-        selected_ = wordList{name};  // hashedWordList::operator[] is hidden!
+        selected_.resize(1);
+        selected_.first() = name;
     }
     else
     {
@@ -118,19 +119,16 @@ Foam::label Foam::triSurfaceLoader::select(const word& name)
 
 Foam::label Foam::triSurfaceLoader::select(const wordRe& mat)
 {
-    DynamicList<label> foundIds(available_.size());
-
     if (mat.isPattern())
     {
-        foundIds = findStrings(mat, available_);
+        labelList foundIds = findStrings(mat, available_);
-        sort(foundIds);
+        Foam::sort(foundIds);
+        selected_ = wordList(available_, foundIds);
     }
-    else
+    else if (available_.found(static_cast<const word&>(mat)))
     {
-        const word& plain = mat;
+        selected_.resize(1);
-        if (available_.found(plain))
+        selected_.first() = mat;
-        {
-            foundIds.append(available_[plain]);
     }
     else
     {
@@ -139,9 +137,7 @@ Foam::label Foam::triSurfaceLoader::select(const wordRe& mat)
             << "  - but could not find it"
             << exit(FatalError);
     }
-    }
 
-    selected_ = wordList(available_, foundIds);
     return selected_.size();
 }
 
@@ -167,7 +163,7 @@ Foam::label Foam::triSurfaceLoader::select(const UList<wordRe>& matcher)
         if (mat.isPattern())
         {
             labelList indices = findStrings(mat, available_);
-            sort(indices);
+            Foam::sort(indices);
 
             for (const label idx : indices)
             {
@@ -180,9 +176,10 @@ Foam::label Foam::triSurfaceLoader::select(const UList<wordRe>& matcher)
         else
         {
             const word& plain = mat;
-            if (available_.found(plain))
+            const label idx = available_.find(plain);
+
+            if (idx >= 0)
             {
-                const label idx = available_[plain];
                 if (hashedFound.insert(idx))
                 {
                     foundIds.append(idx);
@@ -240,7 +237,7 @@ Foam::autoPtr<Foam::triSurface> Foam::triSurfaceLoader::load
 
             if (surf.patches().size())
             {
-                surf.patches().setSize(1);
+                surf.patches().resize(1);
             }
             else
             {

src/meshTools/triSurface/triSurfaceLoader/triSurfaceLoader.H

@@ -5,7 +5,7 @@
     \\  /    A nd           | www.openfoam.com
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
-    Copyright (C) 2017-2020 OpenCFD Ltd.
+    Copyright (C) 2017-2022 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -39,20 +39,20 @@ SourceFiles
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef triSurfaceLoader_H
+#ifndef Foam_triSurfaceLoader_H
-#define triSurfaceLoader_H
+#define Foam_triSurfaceLoader_H
 
 #include "triSurface.H"
 #include "wordRes.H"
 #include "Enum.H"
-#include "hashedWordList.H"
+#include "wordList.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
 {
 
-// Forward declaration of classes
+// Forward Declarations
 class triSurfaceLoader;
 class Time;
 
@@ -79,16 +79,16 @@ public:
 
 private:
 
-    // Private data
+    // Private Data
 
         //- The directory to load from (eg, case/constant/triSurface)
         fileName directory_;
 
         //- All available files
-        hashedWordList available_;
+        wordList available_;
 
         //- Selected files
-        hashedWordList selected_;
+        wordList selected_;
 
 
     // Private Member Functions
@@ -119,19 +119,19 @@ public:
       // Access
 
         //- The directory being used
-        inline const fileName& directory() const
+        const fileName& directory() const noexcept
         {
             return directory_;
         }
 
         //- The list of available files
-        inline const hashedWordList& available() const
+        const wordList& available() const noexcept
         {
             return available_;
         }
 
         //- The list of selected files
-        inline const hashedWordList& selected() const
+        const wordList& selected() const noexcept
         {
             return selected_;
         }
@@ -163,7 +163,6 @@ public:
             const enum loadingOption opt = loadingOption::OFFSET_REGION,
             const scalar scaleFactor = -1
         ) const;
-
 };
 
 

src/phaseSystemModels/multiphaseInter/phasesSystem/InterfaceCompositionModel/InterfaceCompositionModel.C

@@ -47,10 +47,7 @@ Foam::InterfaceCompositionModel<Thermo, OtherThermo>::getLocalThermo
     return
         globalThermo.getLocalThermo
         (
-            globalThermo.species()
+            globalThermo.species().find(speciesName)
-            [
-                speciesName
-            ]
         );
 }
 

src/phaseSystemModels/multiphaseInter/phasesSystem/phaseModel/MultiComponentPhaseModel/MultiComponentPhaseModel.C

@@ -74,7 +74,7 @@ MultiComponentPhaseModel
 
     species_ = thermoPtr_->composition().species();
 
-    inertIndex_ = species_[thermoPtr_().template get<word>("inertSpecie")];
+    inertIndex_ = species_.find(thermoPtr_().template get<word>("inertSpecie"));
 
     X_.setSize(thermoPtr_->composition().species().size());
 

src/phaseSystemModels/reactingEuler/multiphaseSystem/interfacialCompositionModels/interfaceCompositionModels/Henry/Henry.C

@@ -84,10 +84,10 @@ Foam::interfaceCompositionModels::Henry<Thermo, OtherThermo>::Yf
     const volScalarField& Tf
 ) const
 {
-    if (this->speciesNames_.found(speciesName))
+    const label index = this->speciesNames_.find(speciesName);
-    {
-        const label index = this->speciesNames_[speciesName];
 
+    if (index >= 0)
+    {
         return
             k_[index]
            *this->otherThermo_.composition().Y(speciesName)

src/phaseSystemModels/reactingEuler/multiphaseSystem/interfacialCompositionModels/interfaceCompositionModels/InterfaceCompositionModel/InterfaceCompositionModel.C

@@ -46,10 +46,7 @@ Foam::InterfaceCompositionModel<Thermo, OtherThermo>::getLocalThermo
     return
         globalThermo.getLocalThermo
         (
-            globalThermo.species()
+            globalThermo.species().find(speciesName)
-            [
-                speciesName
-            ]
         );
 }
 
@@ -109,7 +106,7 @@ Foam::InterfaceCompositionModel<Thermo, OtherThermo>::dY
         Yf(speciesName, Tf)
       - thermo_.composition().Y()
         [
-            thermo_.composition().species()[speciesName]
+            thermo_.composition().species().find(speciesName)
         ];
 }
 

src/phaseSystemModels/reactingEuler/multiphaseSystem/interfacialCompositionModels/interfaceCompositionModels/NonRandomTwoLiquid/NonRandomTwoLiquid.C

@@ -75,8 +75,8 @@ NonRandomTwoLiquid
     species1Name_ = this->speciesNames_[0];
     species2Name_ = this->speciesNames_[1];
 
-    species1Index_ = this->thermo_.composition().species()[species1Name_];
+    species1Index_ = this->thermo_.composition().species().find(species1Name_);
-    species2Index_ = this->thermo_.composition().species()[species2Name_];
+    species2Index_ = this->thermo_.composition().species().find(species2Name_);
 
     alpha12_.read("alpha", dict.subDict(species1Name_));
     alpha21_.read("alpha", dict.subDict(species2Name_));

src/phaseSystemModels/reactingEuler/multiphaseSystem/interfacialCompositionModels/interfaceCompositionModels/Saturated/Saturated.C

@@ -58,7 +58,7 @@ Foam::interfaceCompositionModels::Saturated<Thermo, OtherThermo>::Saturated
     saturatedName_(this->speciesNames_[0]),
     saturatedIndex_
     (
-        this->thermo_.composition().species()[saturatedName_]
+        this->thermo_.composition().species().find(saturatedName_)
     ),
     saturationModel_
     (
@@ -112,7 +112,7 @@ Foam::interfaceCompositionModels::Saturated<Thermo, OtherThermo>::Yf
     {
         const label speciesIndex
         (
-            this->thermo_.composition().species()[speciesName]
+            this->thermo_.composition().species().find(speciesName)
         );
 
         return
@@ -139,7 +139,7 @@ Foam::interfaceCompositionModels::Saturated<Thermo, OtherThermo>::YfPrime
     {
         const label speciesIndex
         (
-            this->thermo_.composition().species()[speciesName]
+            this->thermo_.composition().species().find(speciesName)
         );
 
         return

src/phaseSystemModels/reactingEuler/multiphaseSystem/phaseModel/MultiComponentPhaseModel/MultiComponentPhaseModel.C

@@ -63,14 +63,14 @@ Foam::MultiComponentPhaseModel<BasePhaseModel>::MultiComponentPhaseModel
     ),
     inertIndex_(-1)
 {
-    const word inertSpecie
+    word inertSpecie;
+    if
     (
-        this->thermo_->getOrDefault("inertSpecie", word::null)
+        this->thermo_->readIfPresent("inertSpecie", inertSpecie)
-    );
+     && !inertSpecie.empty()
-
+    )
-    if (inertSpecie != word::null)
     {
-        inertIndex_ = this->thermo_->composition().species()[inertSpecie];
+        inertIndex_ = this->thermo_->composition().species().find(inertSpecie);
     }
 
     PtrList<volScalarField>& Y = this->thermo_->composition().Y();

src/thermophysicalModels/radiation/submodels/absorptionEmissionModel/greyMeanAbsorptionEmission/greyMeanAbsorptionEmission.C

@@ -238,7 +238,7 @@ Foam::radiation::greyMeanAbsorptionEmission::aCont(const label bandI) const
                     invWt += mixture.Y(s)[celli]/mixture.W(s);
                 }
 
-                label index = mixture.species()[iter.key()];
+                const label index = mixture.species().find(iter.key());
                 scalar Xk = mixture.Y(index)[celli]/(mixture.W(index)*invWt);
 
                 Xipi = Xk*paToAtm(p[celli]);

src/thermophysicalModels/radiation/submodels/absorptionEmissionModel/greyMeanSolidAbsorptionEmission/greyMeanSolidAbsorptionEmission.C

@@ -73,7 +73,7 @@ greyMeanSolidAbsorptionEmission::X(const word specie) const
         }
     }
     const scalarField& Yj = mixture_.Y(specie);
-    const label mySpecieI = mixture_.species()[specie];
+    const label mySpecieI = mixture_.species().find(specie);
     forAll(Xj, iCell)
     {
         Xj[iCell] = Yj[iCell]/mixture_.rho(mySpecieI, p[iCell], T[iCell]);
@@ -166,7 +166,7 @@ calc(const label propertyId) const
     {
         if (mixture_.contains(iter.key()))
         {
-            a += solidData_[iter()][propertyId]*X(iter.key());
+            a += solidData_[iter.val()][propertyId]*X(iter.key());
         }
     }
 

src/thermophysicalModels/radiation/submodels/absorptionEmissionModel/wideBandAbsorptionEmission/wideBandAbsorptionEmission.C

@@ -249,7 +249,7 @@ Foam::radiation::wideBandAbsorptionEmission::aCont(const label bandi) const
                     invWt += mixture.Y(s)[celli]/mixture.W(s);
                 }
 
-                const label index = mixture.species()[iter.key()];
+                const label index = mixture.species().find(iter.key());
 
                 const scalar Xk =
                     mixture.Y(index)[celli]/(mixture.W(index)*invWt);

src/thermophysicalModels/radiation/submodels/sootModel/mixtureFractionSoot/mixtureFractionSoot.C

@@ -133,7 +133,7 @@ Foam::radiation::mixtureFractionSoot<ThermoType>::mixtureFractionSoot
         mappingFieldName_ = mixture_.Y(index).name();
     }
 
-    const label mapFieldIndex = mixture_.species()[mappingFieldName_];
+    const label mapFieldIndex = mixture_.species().find(mappingFieldName_);
 
     mapFieldMax_ = mixture_.Yprod0()[mapFieldIndex];
 

src/thermophysicalModels/reactionThermo/mixtures/basicMultiComponentMixture/basicMultiComponentMixtureI.H

@@ -99,7 +99,7 @@ inline Foam::volScalarField& Foam::basicMultiComponentMixture::Y
     const word& specieName
 )
 {
-    return Y_[species_[specieName]];
+    return Y_[species_.find(specieName)];
 }
 
 
@@ -108,7 +108,7 @@ inline const Foam::volScalarField& Foam::basicMultiComponentMixture::Y
     const word& specieName
 ) const
 {
-    return Y_[species_[specieName]];
+    return Y_[species_.find(specieName)];
 }
 
 

src/thermophysicalModels/reactionThermo/mixtures/singleStepReactingMixture/singleStepReactingMixture.C

@@ -60,7 +60,7 @@ void Foam::singleStepReactingMixture<ThermoType>::calculateqFuel()
 template<class ThermoType>
 void Foam::singleStepReactingMixture<ThermoType>::massAndAirStoichRatios()
 {
-    const label O2Index = this->species()["O2"];
+    const label O2Index = this->species().find("O2");
     const scalar Wu = this->speciesData()[fuelIndex_].W();
 
     stoicRatio_ =
@@ -136,7 +136,7 @@ void Foam::singleStepReactingMixture<ThermoType>::fresCorrect()
 {
     const Reaction<ThermoType>& reaction = this->operator[](0);
 
-    const label O2Index = this->species()["O2"];
+    const label O2Index = this->species().find("O2");
     const volScalarField& YFuel = this->Y()[fuelIndex_];
     const volScalarField& YO2 = this->Y()[O2Index];
 
@@ -204,8 +204,8 @@ Foam::singleStepReactingMixture<ThermoType>::singleStepReactingMixture
     specieStoichCoeffs_(this->species_.size(), Zero),
     Yprod0_(this->species_.size(), Zero),
     fres_(Yprod0_.size()),
-    inertIndex_(this->species()[thermoDict.get<word>("inertSpecie")]),
+    inertIndex_(this->species().find(thermoDict.get<word>("inertSpecie"))),
-    fuelIndex_(this->species()[thermoDict.get<word>("fuel")]),
+    fuelIndex_(this->species().find(thermoDict.get<word>("fuel"))),
     specieProd_(Yprod0_.size(), 1)
 {
     if (this->size() == 1)

src/thermophysicalModels/solidSpecie/reaction/Reactions/solidReaction/solidReaction.C

@@ -93,7 +93,7 @@ Foam::solidReaction<ReactionThermo>::solidReaction
     speciesTable allSpecies(species);
     for (const word& gasName : pyrolisisGases_)
     {
-        allSpecies.append(gasName);
+        allSpecies.appendUniq(gasName);
     }
     List<specieCoeffs> dummyLhs;
     List<specieCoeffs> dummyRhs;

src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C

@@ -224,7 +224,7 @@ Foam::Reaction<ReactionThermo>::specieCoeffs::specieCoeffs
         }
 
         // Lookup specie name: -1 if not found
-        index = species[specieName];
+        index = species.find(specieName);
 
         if (failUnknownSpecie && index < 0)
         {

src/thermophysicalModels/specie/reaction/reactionRate/LangmuirHinshelwood/LangmuirHinshelwoodReactionRateI.H

@@ -53,13 +53,13 @@ inline Foam::LangmuirHinshelwoodReactionRate::LangmuirHinshelwoodReactionRate
 
 inline Foam::LangmuirHinshelwoodReactionRate::LangmuirHinshelwoodReactionRate
 (
-    const speciesTable& st,
+    const speciesTable& species,
     const dictionary& dict
 )
 :
-    co_(st["CO"]),
+    co_(species.find("CO")),
-    c3h6_(st["C3H6"]),
+    c3h6_(species.find("C3H6")),
-    no_(st["NO"])
+    no_(species.find("NO"))
 {
     // read (A, Ta) pairs
     FixedList<Tuple2<scalar, scalar>, n_> coeffs(dict.lookup("coeffs"));

src/thermophysicalModels/specie/reaction/reactionRate/thirdBodyEfficiencies/thirdBodyEfficienciesI.H

@@ -41,7 +41,7 @@ inline Foam::thirdBodyEfficiencies::thirdBodyEfficiencies
     if (size() != species_.size())
     {
         FatalErrorInFunction
-            << "number of efficiencies = " << size()
+            << "Number of efficiencies = " << size()
             << " is not equal to the number of species " << species_.size()
             << exit(FatalError);
     }
@@ -63,14 +63,24 @@ inline Foam::thirdBodyEfficiencies::thirdBodyEfficiencies
         if (coeffs.size() != species_.size())
         {
             FatalIOErrorInFunction(dict)
-                << "number of efficiencies = " << coeffs.size()
+                << "Number of efficiencies = " << coeffs.size()
-                << " is not equat to the number of species " << species_.size()
+                << " is not equal to the number of species " << species_.size()
                 << exit(FatalIOError);
         }
 
-        forAll(coeffs, i)
+        for (const auto& coeff : coeffs)
         {
-            operator[](species[coeffs[i].first()]) = coeffs[i].second();
+            const label idx = species.find(coeff.first());
+
+            if (idx < 0)
+            {
+                FatalIOErrorInFunction(dict)
+                    << "No such species: " << coeffs.first()
+                    << ", available: " << flatOutput(species) << endl
+                    << exit(FatalIOError);
+            }
+
+            operator[](idx) = coeff.second();
         }
     }
     else

src/thermophysicalModels/specie/speciesTable/speciesTable.H

@@ -34,6 +34,7 @@ Description
 #ifndef speciesTable_H
 #define speciesTable_H
 
+#include "wordList.H"
 #include "hashedWordList.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //