From ef6479f58dd7be179b6c5fff7cb9b277e19f0fe6 Mon Sep 17 00:00:00 2001
From: Ray Speth <speth@mit.edu>
Date: Sat, 6 Jul 2013 21:43:53 +0000
Subject: [PATCH] Eliminate special case for default falloff function

---
 include/cantera/kinetics/FalloffFactory.h | 15 ++++++---
 include/cantera/kinetics/FalloffMgr.h     | 39 +++++++----------------
 src/kinetics/FalloffFactory.cpp           |  3 ++
 3 files changed, 25 insertions(+), 32 deletions(-)

diff --git a/include/cantera/kinetics/FalloffFactory.h b/include/cantera/kinetics/FalloffFactory.h
index 7928ae1d2..925521b4f 100644
--- a/include/cantera/kinetics/FalloffFactory.h
+++ b/include/cantera/kinetics/FalloffFactory.h
@@ -27,8 +27,9 @@ namespace Cantera
  */
 
 /**
- * Base class for falloff function calculators. Each instance of a
- * subclass of Falloff computes one falloff function.
+ * Base class for falloff function calculators. Each instance of a subclass of
+ * Falloff computes one falloff function. This base class implements the
+ * trivial falloff function F = 1.0.
  *
  * @ingroup falloffGroup
  */
@@ -47,7 +48,7 @@ public:
      * @param c Vector of coefficients of the parameterization. The number and
      *     meaning of these coefficients is subclass-dependent.
      */
-    virtual void init(const vector_fp& c) =0;
+    virtual void init(const vector_fp& c) {}
 
     /**
      * Update the temperature-dependent portions of the falloff
@@ -78,10 +79,14 @@ public:
      *
      * @return Returns the value of the falloff function \f$ F \f$ defined above
      */
-    virtual doublereal F(doublereal pr, const doublereal* work) const =0;
+    virtual doublereal F(doublereal pr, const doublereal* work) const {
+        return 1.0;
+    }
 
     //! The size of the work array required.
-    virtual size_t workSize() =0;
+    virtual size_t workSize() {
+        return 0;
+    }
 };
 
 /**
diff --git a/include/cantera/kinetics/FalloffMgr.h b/include/cantera/kinetics/FalloffMgr.h
index 109559d25..831e8e84d 100644
--- a/include/cantera/kinetics/FalloffMgr.h
+++ b/include/cantera/kinetics/FalloffMgr.h
@@ -22,7 +22,7 @@ class FalloffMgr
 public:
     //! Constructor.
     FalloffMgr(/*FalloffFactory* f = 0*/) :
-        m_n(0), m_n0(0), m_worksize(0) {
+        m_worksize(0) {
         //if (f == 0)
         m_factory = FalloffFactory::factory();   // RFB:TODO This raw pointer should be encapsulated
         // because accessing a 'Singleton Factory'
@@ -31,8 +31,7 @@ public:
 
     //! Destructor. Deletes all installed falloff function calculators.
     virtual ~FalloffMgr() {
-        int i;
-        for (i = 0; i < m_n; i++) {
+        for (size_t i = 0; i < m_falloff.size(); i++) {
             delete m_falloff[i];
         }
         //if (m_factory) {
@@ -50,17 +49,11 @@ public:
      */
     void install(size_t rxn, int type,
                  const vector_fp& c) {
-        if (type != SIMPLE_FALLOFF) {
-            m_rxn.push_back(rxn);
-            Falloff* f = m_factory->newFalloff(type,c);
-            m_offset.push_back(m_worksize);
-            m_worksize += f->workSize();
-            m_falloff.push_back(f);
-            m_n++;
-        } else {
-            m_rxn0.push_back(rxn);
-            m_n0++;
-        }
+        m_rxn.push_back(rxn);
+        Falloff* f = m_factory->newFalloff(type,c);
+        m_offset.push_back(m_worksize);
+        m_worksize += f->workSize();
+        m_falloff.push_back(f);
     }
 
     //! Size of the work array required to store intermediate results.
@@ -75,10 +68,8 @@ public:
      * @param work Work array. Must be dimensioned at least workSize().
      */
     void updateTemp(doublereal t, doublereal* work) {
-        int i;
-        for (i = 0; i < m_n; i++) {
-            m_falloff[i]->updateTemp(t,
-                                     work + m_offset[i]);
+        for (size_t i = 0; i < m_rxn.size(); i++) {
+            m_falloff[i]->updateTemp(t, work + m_offset[i]);
         }
     }
 
@@ -87,24 +78,18 @@ public:
      * replace each entry by the value of the falloff function.
      */
     void pr_to_falloff(doublereal* values, const doublereal* work) {
-        doublereal pr;
-        int i;
-        for (i = 0; i < m_n0; i++) {
-            values[m_rxn0[i]] /= (1.0 + values[m_rxn0[i]]);
-        }
-        for (i = 0; i < m_n; i++) {
-            pr = values[m_rxn[i]];
+        for (size_t i = 0; i < m_rxn.size(); i++) {
+            double pr = values[m_rxn[i]];
             values[m_rxn[i]] *=
                 m_falloff[i]->F(pr, work + m_offset[i]) /(1.0 + pr);
         }
     }
 
 protected:
-    std::vector<size_t> m_rxn, m_rxn0;
+    std::vector<size_t> m_rxn;
     std::vector<Falloff*> m_falloff;
     FalloffFactory* m_factory;
     vector_int m_loc;
-    int m_n, m_n0;
     std::vector<vector_fp::difference_type> m_offset;
     size_t m_worksize;
 };
diff --git a/src/kinetics/FalloffFactory.cpp b/src/kinetics/FalloffFactory.cpp
index 9da6efcda..78304a2c8 100644
--- a/src/kinetics/FalloffFactory.cpp
+++ b/src/kinetics/FalloffFactory.cpp
@@ -535,6 +535,9 @@ Falloff* FalloffFactory::newFalloff(int type, const vector_fp& c)
 {
     Falloff* f;
     switch (type) {
+    case SIMPLE_FALLOFF:
+        f = new Falloff();
+        break;
     case TROE3_FALLOFF:
         f = new Troe3();
         break;