Changeset 58808e for molecuilder/src/molecules.cpp

Timestamp:

Oct 5, 2009, 5:21:58 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

9c32a1

Parents:

8afe31

git-author:

Frederik Heber <heber@…> (10/05/09 17:14:58)

git-committer:

Frederik Heber <heber@…> (10/05/09 17:21:58)

Message:

Fixed testsuite, removed some minor bugs.

• TesselationUnitTest_SOURCES lacked memoryallocator stuff
• Free does not give a message anymore, as there can be no error.
• testsuite was fixed for suite 2 and 3, mostly due to changed options that were not accomodated for in the testsuite

File:

• molecuilder/src/molecules.cpp (modified) (1 diff)

molecuilder/src/molecules.cpp

@@ -1606 +1606 @@
     MinimiseConstrainedPotential(out, PermutationMap, startstep, endstep, configuration.GetIsAngstroem());
   else {
-    PermutationMap = (atom **) Malloc(AtomCount*sizeof(atom *), "molecule::LinearInterpolationBetweenConfiguration: **PermutationMap");
+    PermutationMap = Malloc<atom *>(AtomCount, "molecule::LinearInterpolationBetweenConfiguration: **PermutationMap");
     Walker = start;
     while (Walker->next != end) {