From 13525889be34f5a19cef1455c83e4a44c2ff7033 Mon Sep 17 00:00:00 2001
From: Yeongdo Park <ignis@postech.ac.kr>
Date: Wed, 14 Nov 2018 21:35:57 -0500
Subject: [PATCH] throw error for non NASA 7-coefficient thermo data in cti
 file

---
 ct2foam.C   | 34 ++++++++++++++++++----------------
 ofFormats.h | 10 ++++++----
 2 files changed, 24 insertions(+), 20 deletions(-)

diff --git a/ct2foam.C b/ct2foam.C
index dd69775..3a65588 100644
--- a/ct2foam.C
+++ b/ct2foam.C
@@ -33,6 +33,7 @@ Description
 
 #include <cantera/transport.h>
 #include <cantera/IdealGasMix.h>
+#include <cantera/thermo/speciesThermoTypes.h>
 
 #include <fstream>
 
@@ -266,7 +267,14 @@ int main(int argc, char *argv[])
         doublereal minTemp, maxTemp, refPressure;
 
         // get the NASA coefficients in array c
-        gas_.speciesThermo().reportParams(n, type, c, minTemp, maxTemp, refPressure);
+        switch(gas_.speciesThermo().reportType(n))
+        {
+            case NASA2:
+                gas_.speciesThermo().reportParams(n, type, c, minTemp, maxTemp, refPressure);
+                break;
+            default:
+                throw std::domain_error(gas_.speciesName(n) + " has a non-NASA2-type thermodynamics interpolator");
+        }
 
         fthermo<<(
                 fmt::format(
@@ -328,13 +336,11 @@ int main(int argc, char *argv[])
         {
             case Cantera::ELEMENTARY_RXN:
 
-                frxn<<( fmt::format( rxnTypeFormat, irn + rate + rxn));
-
-                frxn<<( fmt::format( rxnEqnFormat, ofReactionString(r) ) );
-
                 frxn<<(
                         fmt::format(
-                            arrheniusFormat,
+                            rxnTypeFormat + rxnEqnFormat + arrheniusFormat,
+                            irn + rate + rxn,
+                            ofReactionString(r),
                             std::dynamic_pointer_cast<Cantera::ElementaryReaction>(r)->rate.preExponentialFactor(),
                             std::dynamic_pointer_cast<Cantera::ElementaryReaction>(r)->rate.temperatureExponent(),
                             std::dynamic_pointer_cast<Cantera::ElementaryReaction>(r)->rate.activationEnergy_R()
@@ -346,13 +352,11 @@ int main(int argc, char *argv[])
 
                 rate = "thirdBody" + rate;
 
-                frxn<<( fmt::format( rxnTypeFormat, irn + rate + rxn));
-
-                frxn<<( fmt::format( rxnEqnFormat, ofReactionString(r) ) );
-
                 frxn<<(
                         fmt::format(
-                            arrheniusFormat,
+                            rxnTypeFormat + rxnEqnFormat + arrheniusFormat,
+                            irn + rate + rxn,
+                            ofReactionString(r),
                             std::dynamic_pointer_cast<Cantera::ElementaryReaction>(r)->rate.preExponentialFactor(),
                             std::dynamic_pointer_cast<Cantera::ElementaryReaction>(r)->rate.temperatureExponent(),
                             std::dynamic_pointer_cast<Cantera::ElementaryReaction>(r)->rate.activationEnergy_R()
@@ -403,13 +407,11 @@ int main(int argc, char *argv[])
                         break;
                 }
 
-                frxn<<( fmt::format( rxnTypeFormat, irn + rate + rxn));
-
-                frxn<<( fmt::format( rxnEqnFormat, ofReactionString(r) ) );
-
                 frxn<<(
                         fmt::format(
-                            falloffFormat,
+                            rxnTypeFormat + rxnEqnFormat + falloffFormat,
+                            irn + rate + rxn,
+                            ofReactionString(r),
                             std::dynamic_pointer_cast<Cantera::FalloffReaction>(r)->low_rate.preExponentialFactor(),
                             std::dynamic_pointer_cast<Cantera::FalloffReaction>(r)->low_rate.temperatureExponent(),
                             std::dynamic_pointer_cast<Cantera::FalloffReaction>(r)->low_rate.activationEnergy_R(),
diff --git a/ofFormats.h b/ofFormats.h
index fbff9a6..dfcad6e 100644
--- a/ofFormats.h
+++ b/ofFormats.h
@@ -28,6 +28,12 @@ std::string thermoFormat = std::string() +
 "}}\n"
 ;
 
+std::string rxnTypeFormat =
+"        type            {};\n";
+
+std::string rxnEqnFormat =
+"        reaction        \"{}\";\n";
+
 std::string arrheniusFormat = std::string() +
 "        A               {};\n" +
 "        beta            {};\n" +
@@ -80,8 +86,4 @@ std::string sriFormat = std::string() +
 ;
 
 
-std::string rxnTypeFormat = "        type            {};\n";
-
-std::string rxnEqnFormat = "        reaction        \"{}\";\n";
-
 #endif