From 598e47d6449bdb92a97e349ac7335cb0d9ced43c Mon Sep 17 00:00:00 2001
From: Ray Speth <speth@mit.edu>
Date: Thu, 22 Jan 2015 00:04:03 +0000
Subject: [PATCH] [Thermo] NasaPoly1 stores coefficients in the conventional
 order

---
 include/cantera/thermo/NasaPoly1.h | 62 +++++++++++++++---------------
 1 file changed, 30 insertions(+), 32 deletions(-)

diff --git a/include/cantera/thermo/NasaPoly1.h b/include/cantera/thermo/NasaPoly1.h
index 01b06dec5..c4913d901 100644
--- a/include/cantera/thermo/NasaPoly1.h
+++ b/include/cantera/thermo/NasaPoly1.h
@@ -52,17 +52,23 @@ public:
 
     //! constructor used in templated instantiations
     /*!
-     * @param n            Species index
-     * @param tlow         Minimum temperature
-     * @param thigh        Maximum temperature
-     * @param pref         reference pressure (Pa).
-     * @param coeffs       Vector of coefficients used to set the
-     *                     parameters for the standard state.
+     * @param n       Species index
+     * @param tlow    Minimum temperature
+     * @param thigh   Maximum temperature
+     * @param pref    reference pressure (Pa).
+     * @param coeffs  Vector of coefficients used to set the parameters for the
+     *                standard state, in the order [a5,a6,a0,a1,a2,a3,a4]
      */
     NasaPoly1(size_t n, doublereal tlow, doublereal thigh, doublereal pref,
               const doublereal* coeffs) :
         SpeciesThermoInterpType(n, tlow, thigh, pref),
-        m_coeff(coeffs, coeffs + 7) {
+        m_coeff(7)
+    {
+        for (size_t i = 0; i < 5; i++) {
+            m_coeff[i] = coeffs[i+2];
+        }
+        m_coeff[5] = coeffs[0];
+        m_coeff[6] = coeffs[1];
     }
 
     //! copy constructor
@@ -130,18 +136,18 @@ public:
      */
     virtual void updateProperties(const doublereal* tt,
                                   doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const {
-        doublereal ct0 = m_coeff[2];          // a0
-        doublereal ct1 = m_coeff[3]*tt[0];    // a1 * T
-        doublereal ct2 = m_coeff[4]*tt[1];    // a2 * T^2
-        doublereal ct3 = m_coeff[5]*tt[2];    // a3 * T^3
-        doublereal ct4 = m_coeff[6]*tt[3];    // a4 * T^4
+        doublereal ct0 = m_coeff[0];          // a0
+        doublereal ct1 = m_coeff[1]*tt[0];    // a1 * T
+        doublereal ct2 = m_coeff[2]*tt[1];    // a2 * T^2
+        doublereal ct3 = m_coeff[3]*tt[2];    // a3 * T^3
+        doublereal ct4 = m_coeff[4]*tt[3];    // a4 * T^4
 
         doublereal cp, h, s;
         cp = ct0 + ct1 + ct2 + ct3 + ct4;
         h = ct0 + 0.5*ct1 + 1.0/3.0*ct2 + 0.25*ct3 + 0.2*ct4
-            + m_coeff[0]*tt[4];               // last term is a5/T
+            + m_coeff[5]*tt[4];               // last term is a5/T
         s = ct0*tt[5] + ct1 + 0.5*ct2 + 1.0/3.0*ct3
-            +0.25*ct4 + m_coeff[1];           // last term is a6
+            +0.25*ct4 + m_coeff[6];           // last term is a6
 
         // return the computed properties in the location in the output
         // arrays for this species
@@ -169,11 +175,7 @@ public:
         tlow = m_lowT;
         thigh = m_highT;
         pref = m_Pref;
-        coeffs[5] = m_coeff[0];
-        coeffs[6] = m_coeff[1];
-        for (int i = 2; i < 7; i++) {
-            coeffs[i-2] = m_coeff[i];
-        }
+        std::copy(m_coeff.begin(), m_coeff.end(), coeffs);
     }
 
     //! Modify parameters for the standard state
@@ -182,25 +184,21 @@ public:
      *                 parameters for the standard state.
      */
     virtual void modifyParameters(doublereal* coeffs) {
-        m_coeff[0] = coeffs[5];
-        m_coeff[1] = coeffs[6];
-        for (int i = 0; i < 5; i++) {
-            m_coeff[i+2] = coeffs[i];
-        }
+        std::copy(coeffs, coeffs+7, m_coeff.begin());
     }
 
     virtual doublereal reportHf298(doublereal* const h298 = 0) const {
         double tt[6];
         double temp = 298.15;
         updateTemperaturePoly(temp, tt);
-        doublereal ct0 = m_coeff[2];          // a0
-        doublereal ct1 = m_coeff[3]*tt[0];    // a1 * T
-        doublereal ct2 = m_coeff[4]*tt[1];    // a2 * T^2
-        doublereal ct3 = m_coeff[5]*tt[2];    // a3 * T^3
-        doublereal ct4 = m_coeff[6]*tt[3];    // a4 * T^4
+        doublereal ct0 = m_coeff[0];          // a0
+        doublereal ct1 = m_coeff[1]*tt[0];    // a1 * T
+        doublereal ct2 = m_coeff[2]*tt[1];    // a2 * T^2
+        doublereal ct3 = m_coeff[3]*tt[2];    // a3 * T^3
+        doublereal ct4 = m_coeff[4]*tt[3];    // a4 * T^4
 
         double h_RT = ct0 + 0.5*ct1 + 1.0/3.0*ct2 + 0.25*ct3 + 0.2*ct4
-                      + m_coeff[0]*tt[4];               // last t
+                      + m_coeff[5]*tt[4];               // last t
 
         double h = h_RT * GasConstant * temp;
         if (h298) {
@@ -215,11 +213,11 @@ public:
         }
         double hcurr = reportHf298(0);
         double delH = Hf298New - hcurr;
-        m_coeff[0] += (delH) / GasConstant;
+        m_coeff[5] += (delH) / GasConstant;
     }
 
 protected:
-    //! array of polynomial coefficients
+    //! array of polynomial coefficients, stored in the order [a0, ..., a6]
     vector_fp m_coeff;
 };