Changeset 9cd6bf

Timestamp:

Oct 14, 2011, 9:43:40 AM (13 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

e670e4

Parents:

a8b10a

git-author:

Frederik Heber <heber@…> (09/12/11 09:07:45)

git-committer:

Frederik Heber <heber@…> (10/14/11 09:43:40)

Message:

Added Undo/Redo capabilities to AddEmptyBoundaryAction.

• adapted regression tests.

Files:

• src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified) (4 diffs)
• src/Actions/WorldAction/AddEmptyBoundaryAction.def (modified) (2 diffs)
• tests/regression/Domain/AddEmptyBoundary/post/test-undo.conf (added)
• tests/regression/Domain/AddEmptyBoundary/testsuite-domain-add-empty-boundary.at (modified) (3 diffs)

src/Actions/WorldAction/AddEmptyBoundaryAction.cpp

@@ -18 +18 @@
 #endif
 
+// include headers that implement a archive in simple text format
+#include <boost/archive/text_oarchive.hpp>
+#include <boost/archive/text_iarchive.hpp>
+#include "boost/serialization/vector.hpp"
+
 #include "CodePatterns/MemDebug.hpp"
 
 #include "atom.hpp"
+#include "Box.hpp"
 #include "CodePatterns/Log.hpp"
+#include "LinearAlgebra/MatrixContent.hpp"
 #include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "LinearAlgebra/Vector.hpp"
@@ -46 +53 @@
   getParametersfromValueStorage();
 
+  // create undo domain
+  std::stringstream undostream;
+  boost::archive::text_oarchive oa(undostream);
+  const RealSpaceMatrix &matrix = World::getInstance().getDomain().getM();
+  oa << matrix;
+
   // get maximum and minimum
-  vector<atom *> AllAtoms = World::getInstance().getAllAtoms();
+  std::vector<atom *> AllAtoms = World::getInstance().getAllAtoms();
   ASSERT(AllAtoms.size() > 0, "There must be atoms present for AddingEmptyBoundary.");
-  vector<atom *>::iterator AtomRunner = AllAtoms.begin();
+  std::vector<atom *>::iterator AtomRunner = AllAtoms.begin();
   Min = (*AtomRunner)->getPosition();
   Max = (*AtomRunner)->getPosition();
@@ -73 +86 @@
   // translate all atoms, such that Min is aty (0,0,0)
   AtomRunner = AllAtoms.begin();
-  for (; AtomRunner != AllAtoms.end(); ++AtomRunner)
+  for (std::vector<atom *>::iterator AtomRunner = AllAtoms.begin();
+      AtomRunner != AllAtoms.end();
+      ++AtomRunner)
     *(*AtomRunner) -= Min - params.boundary;
 
@@ -79 +94 @@
   LOG(0, "Box domain is now " << World::getInstance().getDomain().getM());
 
-  return Action::success;
+  // create undo state
+  WorldAddEmptyBoundaryState *UndoState =
+      new WorldAddEmptyBoundaryState(
+          undostream.str(),
+          World::getInstance().getDomain().getM(),
+          Min,
+          params
+          );
+
+  return Action::state_ptr(UndoState);
 }
 
 Action::state_ptr WorldAddEmptyBoundaryAction::performUndo(Action::state_ptr _state) {
-//  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
+  WorldAddEmptyBoundaryState *state = assert_cast<WorldAddEmptyBoundaryState*>(_state.get());
 
-  return Action::failure;
-//  string newName = state->mol->getName();
-//  state->mol->setName(state->lastName);
-//
-//  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
+  // restore domain
+  RealSpaceMatrix matrix;
+  std::stringstream undostream(state->undostring);
+  boost::archive::text_iarchive ia(undostream);
+  ia >> matrix;
+  World::getInstance().setDomain(matrix);
+
+  // give final box size
+  LOG(0, "Box domain restored to " << World::getInstance().getDomain().getM());
+
+  // restore atoms
+  std::vector<atom *> AllAtoms = World::getInstance().getAllAtoms();
+  for (std::vector<atom *>::iterator AtomRunner = AllAtoms.begin();
+      AtomRunner != AllAtoms.end();
+      ++AtomRunner)
+    *(*AtomRunner) += state->Min - state->params.boundary;
+
+  return Action::state_ptr(_state);
 }
 
 Action::state_ptr WorldAddEmptyBoundaryAction::performRedo(Action::state_ptr _state){
-  return Action::failure;
+  WorldAddEmptyBoundaryState *state = assert_cast<WorldAddEmptyBoundaryState*>(_state.get());
+
+  World::getInstance().setDomain(state->newdomain);
+
+  // give final box size
+  LOG(0, "Box domain is again " << World::getInstance().getDomain().getM());
+
+  // shift atoms
+  std::vector<atom *> AllAtoms = World::getInstance().getAllAtoms();
+  for (std::vector<atom *>::iterator AtomRunner = AllAtoms.begin();
+      AtomRunner != AllAtoms.end();
+      ++AtomRunner)
+    *(*AtomRunner) -= state->Min - state->params.boundary;
+
+  return Action::state_ptr(_state);
 }
 
 bool WorldAddEmptyBoundaryAction::canUndo() {
-  return false;
+  return true;
 }
 
 bool WorldAddEmptyBoundaryAction::shouldUndo() {
-  return false;
+  return true;
 }
 /** =========== end of function ====================== */

src/Actions/WorldAction/AddEmptyBoundaryAction.def

@@ -8 +8 @@
 // all includes and forward declarations necessary for non-integral types below
 #include "Actions/Values.hpp"
+#include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "LinearAlgebra/Vector.hpp"
 
@@ -19 +20 @@
 #define paramreferences (boundary)
 
-#undef statetypes
-#undef statereferences
+#define statetypes (std::string)(RealSpaceMatrix)(Vector)
+#define statereferences (undostring)(newdomain)(Min)
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS

tests/regression/Domain/AddEmptyBoundary/testsuite-domain-add-empty-boundary.at

@@ -15 +15 @@
 
 AT_SETUP([Domain - center and add empty boundary with Undo])
-AT_XFAIL_IF([/bin/true])
-AT_KEYWORDS([domain add-empty-boundar undo])
+AT_KEYWORDS([domain add-empty-boundary undo])
 
 file=test.conf
@@ -22 +21 @@
 AT_CHECK([chmod u+w $file], 0)
 AT_CHECK([../../molecuilder -i $file  -c "5, 10, 15" --undo], 0, [stdout], [stderr])
-AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
-AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/AddEmptyBoundary/post/test.conf], 0, [stdout], [stderr])
+AT_CHECK([fgrep "Box domain restored to" stdout], 0, [ignore], [ignore])
+AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/AddEmptyBoundary/post/test-undo.conf], 0, [stdout], [stderr])
 
 AT_CLEANUP
@@ -29 +28 @@
 
 AT_SETUP([Domain - center and add empty boundary with Redo])
-AT_XFAIL_IF([/bin/true])
 AT_KEYWORDS([domain add-empty-boundary redo])