Changeset aa36cc for molecuilder/src/molecule_geometry.cpp

Timestamp:

May 19, 2010, 6:46:52 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

11cb98

Parents:

9bb477 (diff), d79e591 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

git-author:

Frederik Heber <heber@…> (05/19/10 18:45:23)

git-committer:

Frederik Heber <heber@…> (05/19/10 18:46:52)

Message:

Merge branch 'StructureRefactoring' into CommandLineActionMapping

Conflicts:

molecuilder/src/atom_particleinfo.cpp
molecuilder/src/builder.cpp

The following conflicts were solved:

• in atom_particleinfo constructor the bugfix could not be merged automatically
• in builder.cpp at the end of main() cleanup and memory:getstate() were still present.

File:

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

molecuilder/src/molecule_geometry.cpp

@@ -282 +282 @@
               if ((fabs(tmp)) > BondDistance) {
                 flag = false;
-                DoLog(0) && (Log() << Verbose(0) << "Hit: atom " << Walker->Name << " in bond " << *(*Runner) << " has to be shifted due to " << tmp << "." << endl);
+                DoLog(0) && (Log() << Verbose(0) << "Hit: atom " << Walker->getName() << " in bond " << *(*Runner) << " has to be shifted due to " << tmp << "." << endl);
                 if (tmp > 0)
                   Translationvector[j] -= 1.;