From 7587045ea0169ecb9cf1b990b1912e379d20d7a3 Mon Sep 17 00:00:00 2001
From: Yeongdo Park <ignis@postech.ac.kr>
Date: Tue, 30 Oct 2018 13:31:49 -0400
Subject: [PATCH] added cantera transport headers and removed the time loop

---
 testApp/YEqn.H           | 12 ------------
 testApp/chemFoam.C       | 24 +++---------------------
 testApp/hEqn.H           | 14 --------------
 testApp/output.H         | 11 -----------
 testApp/pEqn.H           | 16 ----------------
 testApp/readControls.H   |  3 ---
 testApp/setDeltaT.H      |  6 ------
 testApp/solveChemistry.H |  3 ---
 8 files changed, 3 insertions(+), 86 deletions(-)
 delete mode 100644 testApp/YEqn.H
 delete mode 100644 testApp/hEqn.H
 delete mode 100644 testApp/output.H
 delete mode 100644 testApp/pEqn.H
 delete mode 100644 testApp/readControls.H
 delete mode 100644 testApp/setDeltaT.H
 delete mode 100644 testApp/solveChemistry.H

diff --git a/testApp/YEqn.H b/testApp/YEqn.H
deleted file mode 100644
index edb4072..0000000
--- a/testApp/YEqn.H
+++ /dev/null
@@ -1,12 +0,0 @@
-{
-    forAll(Y, specieI)
-    {
-        volScalarField& Yi = Y[specieI];
-
-        solve
-        (
-            fvm::ddt(rho, Yi) - chemistry.RR(specieI),
-            mesh.solver("Yi")
-        );
-    }
-}
\ No newline at end of file
diff --git a/testApp/chemFoam.C b/testApp/chemFoam.C
index a68d7d0..a61d3a3 100644
--- a/testApp/chemFoam.C
+++ b/testApp/chemFoam.C
@@ -31,6 +31,9 @@ Description
 
 \*---------------------------------------------------------------------------*/
 
+#include <cantera/transport.h>
+#include <cantera/IdealGasMix.h>
+
 #include "fvCFD.H"
 #include "psiReactionThermo.H"
 #include "psiChemistryModel.H"
@@ -62,27 +65,6 @@ int main(int argc, char *argv[])
 
     Info<< "\nStarting time loop\n" << endl;
 
-    while (runTime.run())
-    {
-        #include "readControls.H"
-
-        #include "setDeltaT.H"
-
-        runTime++;
-        Info<< "Time = " << runTime.timeName() << nl << endl;
-
-        #include "solveChemistry.H"
-        #include "YEqn.H"
-        #include "hEqn.H"
-        #include "pEqn.H"
-
-        #include "output.H"
-
-        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
-            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
-            << nl << endl;
-    }
-
     Info << "Number of steps = " << runTime.timeIndex() << endl;
     Info << "End" << nl << endl;
 
diff --git a/testApp/hEqn.H b/testApp/hEqn.H
deleted file mode 100644
index 4dd593e..0000000
--- a/testApp/hEqn.H
+++ /dev/null
@@ -1,14 +0,0 @@
-{
-    volScalarField& h = thermo.he();
-
-    if (constProp == "volume")
-    {
-        h[0] = u0 + p[0]/rho[0] + integratedHeat;
-    }
-    else
-    {
-        h[0] = h0 + integratedHeat;
-    }
-
-    thermo.correct();
-}
diff --git a/testApp/output.H b/testApp/output.H
deleted file mode 100644
index 5620fe6..0000000
--- a/testApp/output.H
+++ /dev/null
@@ -1,11 +0,0 @@
-    runTime.write();
-
-    Info<< "Sh = " << Sh
-        << ", T = " << thermo.T()[0]
-        << ", p = " << thermo.p()[0]
-        << ", " << Y[0].name() << " = " << Y[0][0]
-        << endl;
-
-    post<< runTime.value() << token::TAB << thermo.T()[0] << token::TAB
-        << thermo.p()[0] << endl;
-
diff --git a/testApp/pEqn.H b/testApp/pEqn.H
deleted file mode 100644
index a919ff1..0000000
--- a/testApp/pEqn.H
+++ /dev/null
@@ -1,16 +0,0 @@
-{
-    rho = thermo.rho();
-    if (constProp == "volume")
-    {
-        scalar invW = 0.0;
-        forAll(Y, i)
-        {
-            invW += Y[i][0]/specieData[i].W();
-        }
-
-        Rspecific[0] = 1000.0*constant::physicoChemical::R.value()*invW;
-
-        p[0] = rho0*Rspecific[0]*thermo.T()[0];
-        rho[0] = rho0;
-    }
-}
diff --git a/testApp/readControls.H b/testApp/readControls.H
deleted file mode 100644
index c56206d..0000000
--- a/testApp/readControls.H
+++ /dev/null
@@ -1,3 +0,0 @@
-runTime.controlDict().lookup("adjustTimeStep") >> adjustTimeStep;
-
-maxDeltaT = readScalar(runTime.controlDict().lookup("maxDeltaT"));
diff --git a/testApp/setDeltaT.H b/testApp/setDeltaT.H
deleted file mode 100644
index 46d9f7b..0000000
--- a/testApp/setDeltaT.H
+++ /dev/null
@@ -1,6 +0,0 @@
-if (adjustTimeStep)
-{
-    runTime.setDeltaT(min(dtChem, maxDeltaT));
-    Info<< "deltaT = " <<  runTime.deltaT().value() << endl;
-}
-
diff --git a/testApp/solveChemistry.H b/testApp/solveChemistry.H
deleted file mode 100644
index cb4258c..0000000
--- a/testApp/solveChemistry.H
+++ /dev/null
@@ -1,3 +0,0 @@
-    dtChem = chemistry.solve(runTime.deltaT().value());
-    scalar Sh = chemistry.Sh()()[0]/rho[0];
-    integratedHeat += Sh*runTime.deltaT().value();