From d2ae04b97866f498b732fb6dc452a363ef41fe0f Mon Sep 17 00:00:00 2001
From: ignis <ignis@postech.ac.kr>
Date: Mon, 7 Dec 2015 19:11:18 +0900
Subject: [PATCH] chemkinReader: compute species charge number

---
 .../chemkinReader/chemkinLexer.L              |  3 ++-
 .../chemkinReader/chemkinReader.C             | 22 +++++++++++++++++++
 .../chemkinReader/chemkinReader.H             |  5 +++++
 3 files changed, 29 insertions(+), 1 deletion(-)

diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L
index 98a7bbd2..9361ed2e 100644
--- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L
+++ b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L
@@ -637,7 +637,8 @@ bool finishReaction = false;
                     (
                         currentSpecieName,
                         1.0,
-                        molecularWeight(currentSpecieComposition)
+                        molecularWeight(currentSpecieComposition),
+                        chargeNumber(currentSpecieComposition)
                     ),
                     currentLowT,
                     currentHighT,
diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C
index e8d882a4..a6cffb2b 100644
--- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C
+++ b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C
@@ -144,6 +144,28 @@ Foam::scalar Foam::chemkinReader::molecularWeight
 }
 
 
+Foam::scalar Foam::chemkinReader::chargeNumber
+(
+    const List<specieElement>& specieComposition
+) const
+{
+    scalar nElemCharges = 0.0;
+
+    forAll(specieComposition, i)
+    {
+        label nAtoms = specieComposition[i].nAtoms;
+        const word& elementName = specieComposition[i].elementName;
+
+        if (elementName[0] == 'e')
+        {
+            nElemCharges += nAtoms;
+        }
+    }
+
+    return nElemCharges;
+}
+
+
 void Foam::chemkinReader::checkCoeffs
 (
     const scalarList& reactionCoeffs,
diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H
index ee1986f6..f5023ed3 100644
--- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H
+++ b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H
@@ -251,6 +251,11 @@ private:
             const List<specieElement>& specieComposition
         ) const;
 
+        scalar chargeNumber
+        (
+            const List<specieElement>& specieComposition
+        ) const;
+
         void finishElements(labelList& currentAtoms);
 
         void checkCoeffs