Changeset 4ef101 for molecuilder/src/molecule_geometry.cpp

Timestamp:

Nov 5, 2009, 6:14:08 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

fc420f

Parents:

543ce4

Message:

LEAKFIX: ReturnFullMatrixForSymmetric() and InverseMatrix() have Malloc()s, in code was delete(), not Free()

• valgrind showed the "mismatch free/delete" and is fixed. (mostly concerned functions in molecule_geometry.cpp and analysis_correlation.cpp)
• LEAKFIX: logger and errorLogger instances were not free'd, this is done.

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/molecule_geometry.cpp (modified) (7 diffs)

molecuilder/src/molecule_geometry.cpp

@@ -33 +33 @@
   ActOnAllVectors( &Vector::WrapPeriodically, (const double *)M, (const double *)Minv);
 
-  delete(M);
-  delete(Minv);
+  Free(&M);
+  Free(&Minv);
   delete(Center);
   return status;
@@ -52 +52 @@
   ActOnAllVectors( &Vector::WrapPeriodically, (const double *)M, (const double *)Minv);
 
-  delete(M);
-  delete(Minv);
+  Free(&M);
+  Free(&Minv);
   return status;
 };
@@ -233 +233 @@
   ActOnAllVectors( &Vector::WrapPeriodically, (const double *)M, (const double *)Minv);
 
-  delete(M);
-  delete(Minv);
+  Free(&M);
+  Free(&Minv);
 };
 
@@ -253 +253 @@
   atom *Walker = start;
   double *matrix = ReturnFullMatrixforSymmetric(cell_size);
+  double *inversematrix = InverseMatrix(cell_size);
   double tmp;
   bool flag;
@@ -266 +267 @@
 #endif
         Testvector.CopyVector(&Walker->x);
-        Testvector.InverseMatrixMultiplication(matrix);
+        Testvector.MatrixMultiplication(inversematrix);
         Translationvector.Zero();
         for (BondList::const_iterator Runner = Walker->ListOfBonds.begin(); Runner != Walker->ListOfBonds.end(); (++Runner)) {
@@ -293 +294 @@
           if ((*Runner)->GetOtherAtom(Walker)->type->Z == 1) {
             Testvector.CopyVector(&(*Runner)->GetOtherAtom(Walker)->x);
-            Testvector.InverseMatrixMultiplication(matrix);
+            Testvector.MatrixMultiplication(inversematrix);
             Testvector.AddVector(&Translationvector);
             Testvector.MatrixMultiplication(matrix);
@@ -307 +308 @@
   } while (!flag);
   Free(&matrix);
+  Free(&inversematrix);
+
   Center.Scale(1./(double)AtomCount);
 };