Changeset 38ac25 for src/Actions/MoleculeAction/ForceAnnealingAction.def

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• TESTFIX: ForceAnnealing's undo test.conf was no longer valid since the additional time stepping is extracted (and the tests were changed already).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/MoleculeAction/ForceAnnealingAction.def (modified) (1 diff)

src/Actions/MoleculeAction/ForceAnnealingAction.def

@@ -32 +32 @@
 (DummyValidator<bool>())
 
-#define statetypes (std::vector<AtomicInfo>)(std::vector<AtomicInfo>)
+#define statetypes (std::vector< std::vector<AtomicInfo> >)(std::vector< std::vector<AtomicInfo> >)
 #define statereferences (UndoInfo)(RedoInfo)