Changeset 17b3a5c for molecuilder/src/helpers.cpp

Timestamp:

Oct 9, 2009, 10:54:52 AM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

3efb4a

Parents:

70b7aa

Message:

forward declarations used to untangle interdependet classes.

• basically, everywhere in header files we removed '#include' lines were only pointer to the respective classes were used and the include line was moved to the implementation file.
• as a sidenote, lots of funny errors happened because headers were included via a nesting over three other includes. Now, all should be declared directly as needed, as only very little include lines remain in header files.

File:

• molecuilder/src/helpers.cpp (modified) (2 diffs)

molecuilder/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.
  *