Eliminated "sortAlgoritms" from the tests in favor of std::sort

test_problems/SConscript

@@ -129,7 +129,7 @@ CompileAndTest('HMW_dupl_test',
 CompileAndTest('HMW_graph_CpvT',
                pjoin('cathermo', 'HMW_graph_CpvT'),
                'HMW_graph_CpvT', 'output_blessed.txt',
-               extensions=['^HMW_graph_CpvT.cpp', '^sortAlgorithms.cpp'],
+               extensions=['^HMW_graph_CpvT.cpp'],
                arguments='HMW_NaCl_sp1977_alt.xml')
 CompileAndTest('HMW_graph_GvI',
                pjoin('cathermo', 'HMW_graph_GvI'),
@@ -141,17 +141,17 @@ CompileAndTest('HMW_graph_GvI',
 CompileAndTest('HMW_graph_GvT',
                pjoin('cathermo', 'HMW_graph_GvT'),
                'HMW_graph_GvT', 'output_blessed.txt',
-               extensions=['^HMW_graph_GvT.cpp', '^sortAlgorithms.cpp'],
+               extensions=['^HMW_graph_GvT.cpp'],
                arguments='HMW_NaCl_sp1977_alt.xml')
 CompileAndTest('HMW_graph_HvT',
                pjoin('cathermo', 'HMW_graph_HvT'),
                'HMW_graph_HvT', 'output_blessed.txt',
-               extensions=['^HMW_graph_HvT.cpp', '^sortAlgorithms.cpp'],
+               extensions=['^HMW_graph_HvT.cpp'],
                arguments='HMW_NaCl_sp1977_alt.xml')
 CompileAndTest('HMW_graph_VvT',
                pjoin('cathermo', 'HMW_graph_VvT'),
                'HMW_graph_VvT', 'output_blessed.txt',
-               extensions=['^HMW_graph_VvT.cpp', '^sortAlgorithms.cpp'],
+               extensions=['^HMW_graph_VvT.cpp'],
                arguments='HMW_NaCl_sp1977_alt.xml')
 CompileAndTest('HMW_test_1',
                pjoin('cathermo', 'HMW_test_1'),

test_problems/cathermo/HMW_dupl_test/TemperatureTable.h

@@ -8,7 +8,6 @@
 
 #ifndef TEMPERATURE_TABLE_H
 #define  TEMPERATURE_TABLE_H
-#include "sortAlgorithms.h"
 //#include "mdp_allo.h"
 #include <vector>
 using std::vector;
@@ -75,10 +74,7 @@ public:
 	}
 	NPoints += numAdded;
       }
- 
+      std::sort(T.begin(), T.end());
-      sort_dbl_1(DATA_PTR(T), NPoints);
-
-    
   }
   /***********************************************************************/
   /***********************************************************************/

test_problems/cathermo/HMW_dupl_test/sortAlgorithms.cpp

@@ -1,50 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-
-#include "sortAlgorithms.h"
-
-/**************************************************************/
-
-void sort_dbl_1(double * const x, const int n) {
-    double rra;
-    int ll = n/2;
-    int iret = n - 1;
-    while (1 > 0) {
-      if (ll > 0) {
-        ll--;
-        rra = x[ll];
-      } else {
-        rra = x[iret];
-        x[iret] = x[0];
-        iret--;
-        if (iret == 0) {
-          x[0] = rra;
-          return;
-        }
-      }     
-      int i = ll;
-      int j = ll + ll + 1;
-      while (j <= iret) {
-        if (j < iret) {
-          if (x[j] < x[j+1])
-	      j++;
-        }
-        if (rra < x[j]) {
-          x[i] = x[j];
-          i = j;
-          j = j + j + 1;
-        } else {
-          j = iret + 1;
-        }
-      }
-      x[i] = rra;
-    }
-}
-/*****************************************************/

test_problems/cathermo/HMW_dupl_test/sortAlgorithms.h

@@ -1,17 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-                               
-#ifndef SORTALGORITHMS_H
-#define SORTALGORITHMS_H
-
-
-void sort_dbl_1(double * const x, const int n);
-
-#endif

test_problems/cathermo/HMW_graph_CpVT/TemperatureTable.h

@@ -0,0 +1,123 @@
+
+/*
+ * Copywrite 2004 Sandia Corporation. Under the terms of Contract
+ * DE-AC04-94AL85000, there is a non-exclusive license for use of this
+ * work by or on behalf of the U.S. Government. Export of this program
+ * may require a license from the United States Government.
+ */
+
+#ifndef TEMPERATURE_TABLE_H
+#define  TEMPERATURE_TABLE_H
+//#include "mdp_allo.h"
+#include <vector>
+using std::vector;
+
+/***********************************************************************/
+/***********************************************************************/
+/***********************************************************************/
+/**
+ *   This Class constructs a vector of temperature from which to make
+ *   a table.
+ */
+class TemperatureTable {
+
+public:
+    int    NPoints;
+    bool   Include298;
+    double Tlow;                 //!<   Min temperature for thermo data fit
+    double Thigh;                //!<   Max temperature for thermo table
+    double DeltaT;
+    vector<double> T;
+    int numAddedTs;
+    vector<double> AddedTempVector;
+public:
+  /*
+   * Default constructor for TemperatureTable()
+   */
+  TemperatureTable(const int nPts = 14, 
+		   const bool inc298 = true,
+		   const double tlow = 300.,
+                   const double deltaT = 100.,
+		   const int numAdded = 0,
+                   const double *addedTempVector = 0) :
+      NPoints(nPts), 
+      Include298(inc298), 
+      Tlow(tlow), 
+      DeltaT(deltaT),
+      T(0),
+      numAddedTs(numAdded) {
+    /****************************/
+      int i;
+      // AddedTempVector = mdp_alloc_dbl_1(numAdded, 0.0);
+      AddedTempVector.resize(numAdded, 0.0);
+      for (int i = 0; i < numAdded; i++) {
+	AddedTempVector[i] = addedTempVector[i];
+      }
+      //mdp_copy_dbl_1(AddedTempVector, addedTempVector, numAdded);
+      // T = mdp_alloc_dbl_1(NPoints, 0.0);
+      T.resize(NPoints, 0.0);
+      double TCurrent = Tlow;
+      for (i = 0; i < NPoints; i++) {
+	T[i] = TCurrent;
+	TCurrent += DeltaT;
+      }
+      if (Include298) {
+	T.push_back(298.15);
+	//mdp_realloc_dbl_1(&T, NPoints+1, NPoints, 298.15);
+	NPoints++;
+      }
+      if (numAdded > 0) {
+	//mdp_realloc_dbl_1(&T, NPoints+numAdded, NPoints, 0.0);
+	T.resize( NPoints+numAdded, 0.0);
+	for (i = 0; i < numAdded; i++) {
+	  T[i+NPoints] = addedTempVector[i];
+	}
+	NPoints += numAdded;
+      }
+      std::sort(T.begin(), T.end());
+  }
+  /***********************************************************************/
+  /***********************************************************************/
+  /***********************************************************************/
+  /*
+   * Destructor
+   */
+  ~TemperatureTable() {
+    //mdp_safe_free((void **) &AddedTempVector);
+    // mdp_safe_free((void **) &T);
+  }
+
+  /***********************************************************************/
+  /***********************************************************************/
+  /***********************************************************************/
+  /*
+   *  Overloaded operator[]
+   * 
+   *       return the array value in the vector
+   */
+  double operator[](const int i)  {
+    return T[i];
+  }
+  /***********************************************************************/
+  /***********************************************************************/
+  /***********************************************************************/
+  /*
+   *  size()
+   */
+  int size() {
+      return NPoints;
+  }
+/***********************************************************************/
+/***********************************************************************/
+/***********************************************************************/
+  /*
+   * Block assignment and copy constructors: not needed.
+   */
+private:
+  TemperatureTable(const TemperatureTable &);
+  TemperatureTable& operator=(const TemperatureTable&);
+};
+/***********************************************************************/
+/***********************************************************************/
+/***********************************************************************/
+#endif

test_problems/cathermo/HMW_graph_CpvT/TemperatureTable.h

@@ -8,7 +8,6 @@
 
 #ifndef TEMPERATURE_TABLE_H
 #define  TEMPERATURE_TABLE_H
-#include "sortAlgorithms.h"
 //#include "mdp_allo.h"
 #include <vector>
 using std::vector;
@@ -75,10 +74,7 @@ public:
 	}
 	NPoints += numAdded;
       }
- 
+      std::sort(T.begin(), T.end());
-      sort_dbl_1(DATA_PTR(T), NPoints);
-
-    
   }
   /***********************************************************************/
   /***********************************************************************/

test_problems/cathermo/HMW_graph_CpvT/sortAlgorithms.cpp

@@ -1,50 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-
-#include "sortAlgorithms.h"
-
-/**************************************************************/
-
-void sort_dbl_1(double * const x, const int n) {
-    double rra;
-    int ll = n/2;
-    int iret = n - 1;
-    while (1 > 0) {
-      if (ll > 0) {
-        ll--;
-        rra = x[ll];
-      } else {
-        rra = x[iret];
-        x[iret] = x[0];
-        iret--;
-        if (iret == 0) {
-          x[0] = rra;
-          return;
-        }
-      }     
-      int i = ll;
-      int j = ll + ll + 1;
-      while (j <= iret) {
-        if (j < iret) {
-          if (x[j] < x[j+1])
-	      j++;
-        }
-        if (rra < x[j]) {
-          x[i] = x[j];
-          i = j;
-          j = j + j + 1;
-        } else {
-          j = iret + 1;
-        }
-      }
-      x[i] = rra;
-    }
-}
-/*****************************************************/

test_problems/cathermo/HMW_graph_CpvT/sortAlgorithms.h

@@ -1,17 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-                               
-#ifndef SORTALGORITHMS_H
-#define SORTALGORITHMS_H
-
-
-void sort_dbl_1(double * const x, const int n);
-
-#endif

test_problems/cathermo/HMW_graph_GvI/TemperatureTable.h

@@ -8,7 +8,6 @@
 
 #ifndef TEMPERATURE_TABLE_H
 #define  TEMPERATURE_TABLE_H
-#include "sortAlgorithms.h"
 //#include "mdp_allo.h"
 #include <vector>
 using std::vector;
@@ -75,10 +74,7 @@ public:
 	}
 	NPoints += numAdded;
       }
- 
+      std::sort(T.begin(), T.end());
-      sort_dbl_1(DATA_PTR(T), NPoints);
-
-    
   }
   /***********************************************************************/
   /***********************************************************************/

test_problems/cathermo/HMW_graph_GvI/sortAlgorithms.cpp

@@ -1,50 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-
-#include "sortAlgorithms.h"
-
-/**************************************************************/
-
-void sort_dbl_1(double * const x, const int n) {
-    double rra;
-    int ll = n/2;
-    int iret = n - 1;
-    while (1 > 0) {
-      if (ll > 0) {
-        ll--;
-        rra = x[ll];
-      } else {
-        rra = x[iret];
-        x[iret] = x[0];
-        iret--;
-        if (iret == 0) {
-          x[0] = rra;
-          return;
-        }
-      }     
-      int i = ll;
-      int j = ll + ll + 1;
-      while (j <= iret) {
-        if (j < iret) {
-          if (x[j] < x[j+1])
-	      j++;
-        }
-        if (rra < x[j]) {
-          x[i] = x[j];
-          i = j;
-          j = j + j + 1;
-        } else {
-          j = iret + 1;
-        }
-      }
-      x[i] = rra;
-    }
-}
-/*****************************************************/

test_problems/cathermo/HMW_graph_GvI/sortAlgorithms.h

@@ -1,17 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-                               
-#ifndef SORTALGORITHMS_H
-#define SORTALGORITHMS_H
-
-
-void sort_dbl_1(double * const x, const int n);
-
-#endif

test_problems/cathermo/HMW_graph_GvT/TemperatureTable.h

@@ -8,7 +8,6 @@
 
 #ifndef TEMPERATURE_TABLE_H
 #define  TEMPERATURE_TABLE_H
-#include "sortAlgorithms.h"
 //#include "mdp_allo.h"
 #include <vector>
 using std::vector;
@@ -75,10 +74,7 @@ public:
 	}
 	NPoints += numAdded;
       }
- 
+      std::sort(T.begin(), T.end());
-      sort_dbl_1(DATA_PTR(T), NPoints);
-
-    
   }
   /***********************************************************************/
   /***********************************************************************/

test_problems/cathermo/HMW_graph_GvT/sortAlgorithms.cpp

@@ -1,50 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-
-#include "sortAlgorithms.h"
-
-/**************************************************************/
-
-void sort_dbl_1(double * const x, const int n) {
-    double rra;
-    int ll = n/2;
-    int iret = n - 1;
-    while (1 > 0) {
-      if (ll > 0) {
-        ll--;
-        rra = x[ll];
-      } else {
-        rra = x[iret];
-        x[iret] = x[0];
-        iret--;
-        if (iret == 0) {
-          x[0] = rra;
-          return;
-        }
-      }     
-      int i = ll;
-      int j = ll + ll + 1;
-      while (j <= iret) {
-        if (j < iret) {
-          if (x[j] < x[j+1])
-	      j++;
-        }
-        if (rra < x[j]) {
-          x[i] = x[j];
-          i = j;
-          j = j + j + 1;
-        } else {
-          j = iret + 1;
-        }
-      }
-      x[i] = rra;
-    }
-}
-/*****************************************************/

test_problems/cathermo/HMW_graph_GvT/sortAlgorithms.h

@@ -1,17 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-                               
-#ifndef SORTALGORITHMS_H
-#define SORTALGORITHMS_H
-
-
-void sort_dbl_1(double * const x, const int n);
-
-#endif

test_problems/cathermo/HMW_graph_HvT/TemperatureTable.h

@@ -8,7 +8,6 @@
 
 #ifndef TEMPERATURE_TABLE_H
 #define  TEMPERATURE_TABLE_H
-#include "sortAlgorithms.h"
 //#include "mdp_allo.h"
 #include <vector>
 using std::vector;
@@ -75,10 +74,7 @@ public:
 	}
 	NPoints += numAdded;
       }
- 
+      std::sort(T.begin(), T.end());
-      sort_dbl_1(DATA_PTR(T), NPoints);
-
-    
   }
   /***********************************************************************/
   /***********************************************************************/

test_problems/cathermo/HMW_graph_HvT/sortAlgorithms.cpp

@@ -1,50 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-
-#include "sortAlgorithms.h"
-
-/**************************************************************/
-
-void sort_dbl_1(double * const x, const int n) {
-    double rra;
-    int ll = n/2;
-    int iret = n - 1;
-    while (1 > 0) {
-      if (ll > 0) {
-        ll--;
-        rra = x[ll];
-      } else {
-        rra = x[iret];
-        x[iret] = x[0];
-        iret--;
-        if (iret == 0) {
-          x[0] = rra;
-          return;
-        }
-      }     
-      int i = ll;
-      int j = ll + ll + 1;
-      while (j <= iret) {
-        if (j < iret) {
-          if (x[j] < x[j+1])
-	      j++;
-        }
-        if (rra < x[j]) {
-          x[i] = x[j];
-          i = j;
-          j = j + j + 1;
-        } else {
-          j = iret + 1;
-        }
-      }
-      x[i] = rra;
-    }
-}
-/*****************************************************/

test_problems/cathermo/HMW_graph_HvT/sortAlgorithms.h

@@ -1,17 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-                               
-#ifndef SORTALGORITHMS_H
-#define SORTALGORITHMS_H
-
-
-void sort_dbl_1(double * const x, const int n);
-
-#endif

test_problems/cathermo/HMW_graph_VvT/TemperatureTable.h

@@ -8,7 +8,6 @@
 
 #ifndef TEMPERATURE_TABLE_H
 #define  TEMPERATURE_TABLE_H
-#include "sortAlgorithms.h"
 //#include "mdp_allo.h"
 #include <vector>
 using std::vector;
@@ -75,10 +74,7 @@ public:
 	}
 	NPoints += numAdded;
       }
- 
+      std::sort(T.begin(), T.end());
-      sort_dbl_1(DATA_PTR(T), NPoints);
-
-    
   }
   /***********************************************************************/
   /***********************************************************************/

test_problems/cathermo/HMW_graph_VvT/sortAlgorithms.cpp

@@ -1,50 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-
-#include "sortAlgorithms.h"
-
-/**************************************************************/
-
-void sort_dbl_1(double * const x, const int n) {
-    double rra;
-    int ll = n/2;
-    int iret = n - 1;
-    while (1 > 0) {
-      if (ll > 0) {
-        ll--;
-        rra = x[ll];
-      } else {
-        rra = x[iret];
-        x[iret] = x[0];
-        iret--;
-        if (iret == 0) {
-          x[0] = rra;
-          return;
-        }
-      }     
-      int i = ll;
-      int j = ll + ll + 1;
-      while (j <= iret) {
-        if (j < iret) {
-          if (x[j] < x[j+1])
-	      j++;
-        }
-        if (rra < x[j]) {
-          x[i] = x[j];
-          i = j;
-          j = j + j + 1;
-        } else {
-          j = iret + 1;
-        }
-      }
-      x[i] = rra;
-    }
-}
-/*****************************************************/

test_problems/cathermo/HMW_graph_VvT/sortAlgorithms.h

@@ -1,17 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-                               
-#ifndef SORTALGORITHMS_H
-#define SORTALGORITHMS_H
-
-
-void sort_dbl_1(double * const x, const int n);
-
-#endif

test_problems/cathermo/stoichSubSSTP/TemperatureTable.h

@@ -8,7 +8,6 @@
 
 #ifndef TEMPERATURE_TABLE_H
 #define  TEMPERATURE_TABLE_H
-#include "sortAlgorithms.h"
 //#include "mdp_allo.h"
 #include <vector>
 using std::vector;
@@ -75,10 +74,7 @@ public:
 	}
 	NPoints += numAdded;
       }
- 
+      std::sort(T.begin(), T.end());
-      sort_dbl_1(DATA_PTR(T), NPoints);
-
-    
   }
   /***********************************************************************/
   /***********************************************************************/

test_problems/cathermo/stoichSubSSTP/sortAlgorithms.cpp

@@ -1,50 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-
-#include "sortAlgorithms.h"
-
-/**************************************************************/
-
-void sort_dbl_1(double * const x, const int n) {
-    double rra;
-    int ll = n/2;
-    int iret = n - 1;
-    while (1 > 0) {
-      if (ll > 0) {
-        ll--;
-        rra = x[ll];
-      } else {
-        rra = x[iret];
-        x[iret] = x[0];
-        iret--;
-        if (iret == 0) {
-          x[0] = rra;
-          return;
-        }
-      }     
-      int i = ll;
-      int j = ll + ll + 1;
-      while (j <= iret) {
-        if (j < iret) {
-          if (x[j] < x[j+1])
-	      j++;
-        }
-        if (rra < x[j]) {
-          x[i] = x[j];
-          i = j;
-          j = j + j + 1;
-        } else {
-          j = iret + 1;
-        }
-      }
-      x[i] = rra;
-    }
-}
-/*****************************************************/

test_problems/cathermo/stoichSubSSTP/sortAlgorithms.h

@@ -1,17 +0,0 @@
-/*
- * @file sortAlgorithms.h
- */
-/*
- * Copywrite 2004 Sandia Corporation. Under the terms of Contract
- * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
- * retains certain rights in this software.
- * See file License.txt for licensing information.
- */
-                               
-#ifndef SORTALGORITHMS_H
-#define SORTALGORITHMS_H
-
-
-void sort_dbl_1(double * const x, const int n);
-
-#endif