Changes to species

src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C

@@ -21,6 +21,8 @@ License
 #include "error.H"
 #include "species.H"
 #include "addToRunTimeSelectionTable.H"
+
+#include "dataExchangeModel.H"
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
@@ -30,7 +32,12 @@ namespace Foam
 
 defineTypeNameAndDebug(species, 0);
 
-addToRunTimeSelectionTable(chemistryModel, species, dictionary);
+addToRunTimeSelectionTable
+(
+        chemistryModel,
+        species,
+        dictionary
+);
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
@@ -43,11 +50,36 @@ species::species
 :
     chemistryModel(dict,sm),
     propsDict_(dict.subDict(typeName + "Props")),
-    interpolation_(propsDict_.lookupOrDefault<bool>("interpolation",false))
+    interpolation_(propsDict_.lookupOrDefault<bool>("interpolation",false)),
+    //speciesNames_(propsDict_.lookup("speciesNames"));
+    //Y_(sm.mesh().lookup<volScalarField> (speciesNames_)),
+
+
+    //concentrations_(),
+    //changeOfSpeciesMass_(),
+
+    //changeOfSpeciesMassFields_(sm.mesh().lookup<volScalarField> (changeOfSpeciesMassFields)),
+    //changeOfGasMassFields_(sm.mesh().lookup<volScalarField> (changeOfGasMassField_)),
+
+    tempFieldName_(propsDict_.lookupOrDefault<word>("tempFieldName","T")),
+    tempField_(sm.mesh().lookupObject<volScalarField> (tempFieldName_)),
+    partTempName_(propsDict_.lookup("partTempName")),
+    partTemp_(NULL),
+
+    densityFieldName_(propsDict_.lookupOrDefault<word>("densityFieldName","rho")),
+    rho_(sm.mesh().lookupObject<volScalarField> (densityFieldName_)),
+    partRhoName_(propsDict_.lookup("partRhoName")),
+    partRho_(NULL),
+
+
+    /*  voidfractionFieldName_(propsDict_.lookup("voidfractionFieldName")),
+    voidfraction_(sm.mesh().lookupObject<volScalarField> (voidfractionFieldName_)),
+    velFieldName_(propsDict_.lookup("velFieldName")),
+    U_(sm.mesh().lookup<volVectorField> (velFieldName_)),*/
+
 {
      allocateMyArrays();
 
-    
 }
 
 
@@ -55,22 +87,78 @@ species::species
 
 species::~species()
 {
-
+    delete partTemp_;
+    delete partRho_;
 }
 
 // * * * * * * * * * * * * * * * private Member Functions  * * * * * * * * * * * * * //
 void species::allocateMyArrays() const
 {
   // could be implemented similarly as forcemodel LaEuScalarTemp
+
+    // get memory for 2d arrays
+    double initVal=0.0;
+    particleCloud_.dataExchangeM().allocateArray(partRho_,initVal,1);
+    particleCloud_.dataExchangeM().allocateArray(partTemp_,initVal,1);
+    //particleCloud_.dataExchangeM().allocateArray(Y_,initVal,1);
+
 }
 
 // * * * * * * * * * * * * * * * * Member Fct  * * * * * * * * * * * * * * * //
 
 void species::execute()
 {
-  
+  // realloc the arrays
+    allocateMyArrays();
+
+  // get DEM data
+    particleCloud_.dataExchangeM().getData(partTempName_,'scalar-atom',partTemp_);
+    //particleCloud_.dataExchangeM().getData(partRhoName_,'scalar-atom',partRho_);
+
   // get Y_i, T, rho at particle positions, fill arrays with them and push to LIGGGHTS
-  
+
+    scalar Tfluid(0);
+    label  cellI=0;
+    scalar rho(0);
+    scalar Yfluid(0);
+
+    interpolationCellPoint<scalar> TInterpolator_(tempField_);
+    interpolationCellPoint<scalar> rhoInterpolator_(rho_);
+    itnerpolationCellPoint<scalar> YInterpolator_(Y_);
+
+    for (int index=0; index<particleCloud_.numberOfParticles(); index++)
+    {
+        cellI=particleCloud_.cellIDs()[index][0];
+        if (cellI >=0)
+        {
+            if(interpolation_)
+          //if(chemistryM(0).interpolation())
+            {
+                vector position = particleCloud_.position(index);
+                Tfluid = TInterpolator_.interpolate(poistion,cellI);
+                rho=rhoInterpolator_.interpolate(position,cellI);
+                Yfluid=YInterpolator_.interpolate(position,cellI);
+            }
+            else
+            {
+                Tfluid = tempField_[cellI];
+                rho=rho_[cellI];
+                Yfluid=Y_[cellI];
+            }
+
+            // calculate T, rho, Y_i
+
+            //fill arrays
+            partTemp_[index][0]=;
+            partRho_[index][0]=;
+
+
+        }
+    }
+
+
+
+
   // pull changeOfSpeciesMass_, transform onto fields changeOfSpeciesMassFields_, add them up on changeOfGasMassField_
   
 }

src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.H

@@ -63,11 +63,15 @@ private:
 
     // const volScalarField& tempField_;            // ref to gas temperature field
     
+    // word partTempName_;
+
     // mutable double **partTemp_;                  // gas temperature at particle positions
 
     // word densityFieldName_;
     
     // const volScalarField& rho_;
+
+    // word partRhoName_;
     
     // mutable double **partRho_;                   // gas density at particle positions