Merge pull request #261 from OpenFOAMFans/master

check whether mechanism exist before Cantera read it, to make error m…
deepmodeling · May 19, 2023 · 211198a · 211198a
2 parents 1b2ad64 + 98d6876
commit 211198a
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Showing 2 changed files with 24 additions and 14 deletions.
diff --git a/src/dfCanteraMixture/CanteraMixture.C b/src/dfCanteraMixture/CanteraMixture.C
@@ -46,20 +46,30 @@ Foam::CanteraMixture::CanteraMixture
             IOobject::NO_WRITE
         )
     ),
-    CanteraMechanismFile_(CanteraTorchProperties_.lookup("CanteraMechanismFile")),
-    CanteraSolution_(Cantera::newSolution(CanteraMechanismFile_, "")),
-    CanteraGas_(CanteraSolution_->thermo()),
+    CanteraMechanismFile_(fileName(CanteraTorchProperties_.lookup("CanteraMechanismFile")).expand()),
     transportModelName_(CanteraTorchProperties_.lookup("transportModel")),
-    CanteraTransport_(newTransportMgr(transportModelName_, CanteraGas_.get())),
-    Y_(nSpecies()),
     Tref_(mesh.objectRegistry::lookupObject<volScalarField>("T")),
-    pref_(mesh.objectRegistry::lookupObject<volScalarField>("p")),
-    yTemp_(nSpecies()),
-    HaTemp_(nSpecies()),
-    CpTemp_(nSpecies()),
-    CvTemp_(nSpecies()),
-    muTemp_(nSpecies())
+    pref_(mesh.objectRegistry::lookupObject<volScalarField>("p"))
 {
+    if(!isFile(CanteraMechanismFile_))
+    {
+        FatalErrorInFunction
+            <<"Chemical mechanism "
+            <<CanteraMechanismFile_
+            <<" doesn't exist!\n"
+            <<exit(FatalError);
+    }
+
+    CanteraSolution_=Cantera::newSolution(CanteraMechanismFile_, "");
+    CanteraGas_=CanteraSolution_->thermo();
+    CanteraTransport_=newTransportMgr(transportModelName_, CanteraGas_.get());
+
+    Y_.resize(nSpecies());
+    yTemp_.resize(nSpecies());
+    HaTemp_.resize(nSpecies());
+    CpTemp_.resize(nSpecies());
+    CvTemp_.resize(nSpecies());
+    muTemp_.resize(nSpecies());
     forAll(Y_, i)
     {
         species_.append(CanteraGas_->speciesName(i));

diff --git a/src/dfCanteraMixture/CanteraMixture.H b/src/dfCanteraMixture/CanteraMixture.H
@@ -63,11 +63,11 @@ class CanteraMixture
     // Private Data
 
         IOdictionary CanteraTorchProperties_;
-        const word CanteraMechanismFile_;
+        const string CanteraMechanismFile_;
         std::shared_ptr<Cantera::Solution> CanteraSolution_;
         std::shared_ptr<Cantera::ThermoPhase> CanteraGas_;
         word transportModelName_;
-        std::shared_ptr<Cantera::Transport> CanteraTransport_;
+        Cantera::Transport* CanteraTransport_;
         hashedWordList species_;
         PtrList<volScalarField> Y_;
         const volScalarField& Tref_;
@@ -227,7 +227,7 @@ public:
 
         std::shared_ptr<Cantera::Solution> CanteraSolution() {return CanteraSolution_;}
 
-        std::shared_ptr<Cantera::Transport> CanteraTransport() {return CanteraTransport_;}
+        Cantera::Transport* CanteraTransport() {return CanteraTransport_;}
 
         const word& transportModelName() {return transportModelName_;}