From 51457432eeff0028f5c97ef1fc87b87760bdb1b4 Mon Sep 17 00:00:00 2001
From: Henry Weller <http://cfd.direct>
Date: Wed, 2 Sep 2015 15:34:43 +0100
Subject: [PATCH] chemkinReader: Add tolerance to element balance check Patch
 provided by Daniel Jasinski Resolved bug-report
 http://www.openfoam.org/mantisbt/view.php?id=1843

---
 .../chemistryReaders/chemkinReader/chemkinReader.C  | 13 ++++++++-----
 .../chemistryReaders/chemkinReader/chemkinReader.H  |  5 ++++-
 2 files changed, 12 insertions(+), 6 deletions(-)

diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C
index 701ce73c..e8d882a4 100644
--- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C
+++ b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011-2013 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2011-2015 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -753,10 +753,11 @@ void Foam::chemkinReader::addReaction
 
     forAll(nAtoms, i)
     {
-        if (mag(nAtoms[i]) > SMALL)
+        if (mag(nAtoms[i]) > imbalanceTol_)
         {
             FatalErrorIn("chemkinReader::addReaction")
-                << "Elemental imbalance in " << elementNames_[i]
+                << "Elemental imbalance of " << mag(nAtoms[i])
+                << " in " << elementNames_[i]
                 << " in reaction" << nl
                 << reactions_.last() << nl
                 << " on line " << lineNo_-1
@@ -839,7 +840,8 @@ Foam::chemkinReader::chemkinReader
     specieNames_(10),
     speciesTable_(species),
     reactions_(speciesTable_, speciesThermo_),
-    newFormat_(newFormat)
+    newFormat_(newFormat),
+    imbalanceTol_(sqrt(SMALL))
 {
     read(CHEMKINFileName, thermoFileName);
 }
@@ -855,7 +857,8 @@ Foam::chemkinReader::chemkinReader
     specieNames_(10),
     speciesTable_(species),
     reactions_(speciesTable_, speciesThermo_),
-    newFormat_(thermoDict.lookupOrDefault("newFormat", false))
+    newFormat_(thermoDict.lookupOrDefault("newFormat", false)),
+    imbalanceTol_(thermoDict.lookupOrDefault("imbalanceTolerance", sqrt(SMALL)))
 {
     if (newFormat_)
     {
diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H
index ad1c50ab..ee1986f6 100644
--- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H
+++ b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011-2013 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2011-2015 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -211,6 +211,9 @@ private:
         //- Flag to indicate that file is in new format
         Switch newFormat_;
 
+        //- Tolerance for element imbalance in a reaction
+        scalar imbalanceTol_;
+
 
     // Private Member Functions