Changes in src/helpers.hpp [5034e1:99593f]

File:

• src/helpers.hpp (modified) (5 diffs, 1 prop)

src/helpers.hpp

@@ -18 +18 @@
 #include <fstream>
 
+#include "defs.hpp"
 #include "memoryallocator.hpp"
+
+/********************************************** definitions *********************************/
+
+// some algebraic matrix stuff
+double RDET3(const double a[NDIM*NDIM]);
+double RDET2(const double a[4]);
+double RDET2(const double a0, const double a1, const double a2, const double a3);
 
 /********************************************** helpful functions *********************************/
@@ -44 +52 @@
 bool check_bounds(double *x, double *cell_size);
 void bound(double *b, double lower_bound, double upper_bound);
-void flip(double *x, double *y);
 int pot(int base, int n);
 int CountLinesinFile(ifstream &InputFile);
@@ -50 +57 @@
 bool IsValidNumber( const char *string);
 int CompareDoubles (const void * a, const void * b);
-double * ReturnFullMatrixforSymmetric(double *cell_size);
-static void performCriticalExit();
+double * ReturnFullMatrixforSymmetric(const double * const cell_size);
+double * InverseMatrix(const double * const A);
+void performCriticalExit();
 
 /********************************************** helpful template functions *********************************/
+
+/** Flips two values.
+ * \param x first value
+ * \param y second value
+ */
+template <typename T> void flip(T &x, T &y)
+{
+  T tmp;
+  tmp = x;
+  x = y;
+  y = tmp;
+};
 
 /** Creates a lookup table for true father's Atom::Nr -> atom ptr.
@@ -60 +80 @@
  * \paran *end end of chain list
  * \param **Lookuptable pointer to return allocated lookup table (should be NULL on start)
- * \param count optional predetermined count for table (otherwise we set the count to highest true father id)
+ * \param count optional predetermined size for table (otherwise we set the count to highest true father id)
  * \return true - success, false - failure
  */
@@ -87 +107 @@
   }
 
-  // allocat and fill
-  LookupTable = Malloc<T*>(count, "CreateFatherLookupTable - **LookupTable");
+  // allocate and fill
+  LookupTable = Calloc<T*>(count, "CreateFatherLookupTable - **LookupTable");
   if (LookupTable == NULL) {
     cerr << "LookupTable memory allocation failed!" << endl;
     status = false;
   } else {
-    for (int i=0;i<count;i++)
-      LookupTable[i] = NULL;
     Walker = start;
     while (Walker->next != end) { // create a lookup table (Atom::nr -> atom) used as a marker table lateron