Changes in src/helpers.cpp [be90f1:f66195]

File:

• src/helpers.cpp (modified) (3 diffs, 1 prop)

src/helpers.cpp

@@ -6 +6 @@
 
 #include "helpers.hpp"
-#include "memoryusageobserver.hpp"
 
 /********************************************** helpful functions *********************************/
@@ -118 +117 @@
 };
 
-/**
- * Allocates a memory range using malloc().
+/** Blows the 6-dimensional \a cell_size array up to a full NDIM by NDIM matrix.
+ * \param *symm 6-dim array of unique symmetric matrix components
+ * \return allocated NDIM*NDIM array with the symmetric matrix
+ */
+double * ReturnFullMatrixforSymmetric(double *symm)
+{
+  double *matrix = Malloc<double>(NDIM * NDIM, "molecule::ReturnFullMatrixforSymmetric: *matrix");
+  matrix[0] = symm[0];
+  matrix[1] = symm[1];
+  matrix[2] = symm[3];
+  matrix[3] = symm[1];
+  matrix[4] = symm[2];
+  matrix[5] = symm[4];
+  matrix[6] = symm[3];
+  matrix[7] = symm[4];
+  matrix[8] = symm[5];
+  return matrix;
+};
+
+/** Comparison function for GSL heapsort on distances in two molecules.
+ * \param *a
+ * \param *b
+ * \return <0, \a *a less than \a *b, ==0 if equal, >0 \a *a greater than \a *b
+ */
+int CompareDoubles (const void * a, const void * b)
+{
+  if (*(double *)a > *(double *)b)
+    return -1;
+  else if (*(double *)a < *(double *)b)
+    return 1;
+  else
+    return 0;
+};
+
+
+/** Allocates a memory range using malloc().
  * Prints the provided error message in case of a failure.
  *
@@ -144 +177 @@
 };
 
-/**
- * Frees all memory registered by the memory observer and calls exit(225) afterwards.
- */
-void performCriticalExit() {
-  map<void*, size_t> pointers = MemoryUsageObserver::getInstance()->getPointersToAllocatedMemory();
-  for (map<void*, size_t>::iterator runner = pointers.begin(); runner != pointers.end(); runner++) {
-    Free(((void**) &runner->first));
-  }
-
-  exit(255);
-}