Changeset 38ac25 for src/Actions/UndoRedoHelpers.hpp

Timestamp:

Nov 7, 2017, 7:34:56 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_with_BondGraph_continued_betteresults

Children:

10b1ef

Parents:

0f9726

git-author:

Frederik Heber <frederik.heber@…> (08/03/17 10:47:26)

git-committer:

Frederik Heber <frederik.heber@…> (11/07/17 07:34:56)

Message:

FIX: ForceAnnealingAction's Undo is again working.

• AtomicInfo::setAtom() and SetAtomsFromAtomicInfo() now accept a time step. This allows to undo changes to the old state (where forces might have been passed to) and the current state (modified by time integration).
• TESTFIX: ForceAnnealing's undo test.conf was no longer valid since the additional time stepping is extracted (and the tests were changed already). I.e. the extra trajectory step is because of step-world-time and not because of force-annealing. Hence, it should not be undone here.

File:

• src/Actions/UndoRedoHelpers.hpp (modified) (2 diffs)

src/Actions/UndoRedoHelpers.hpp

@@ -19 +19 @@
 #include "Atom/AtomicInfo.hpp"
 #include "Bond/BondInfo.hpp"
+#include "WorldTime.hpp"
 
 namespace MoleCuilder {
@@ -61 +62 @@
    *
    * @param movedatoms vector of atomicInfo
+   * @param _step set state information for given world time
    */
-  void SetAtomsFromAtomicInfo(const std::vector<AtomicInfo> &_movedatoms);
+  void SetAtomsFromAtomicInfo(
+      const std::vector<AtomicInfo> &_movedatoms,
+      const unsigned int _step = WorldTime::getTime());
 
   /** Selects all atoms inside the given vector