Changeset e41c48 for src

Timestamp:

Aug 10, 2010, 11:31:36 AM (15 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:

f8456c

Parents:

353e82

git-author:

Frederik Heber <heber@…> (08/10/10 11:29:23)

git-committer:

Frederik Heber <heber@…> (08/10/10 11:31:36)

Message:

RemoveAction has Undo/Redo capability.

• FIX: atom::getMolecule() is now const member function
• new class AtomicInfo that stores essential info contained in atom.
• TESTFIX: had to pre/replace test.conf due to wrong MaxMinStopSteps, PsiNumbers in original file ... (this never occured because we compared against this in post/)
• added test for undo/redo to Simple_configuration/5

Location:

src

Files:

• Actions/AtomAction/RemoveAction.cpp (modified) (3 diffs)
• AtomicInfo.cpp (added)
• AtomicInfo.hpp (added)
• Makefile.am (modified) (2 diffs)
• atom.cpp (modified) (1 diff)
• atom.hpp (modified) (1 diff)

src/Actions/AtomAction/RemoveAction.cpp

@@ -11 +11 @@
 #include "Actions/ActionRegistry.hpp"
 #include "atom.hpp"
+#include "AtomicInfo.hpp"
 #include "Descriptors/AtomDescriptor.hpp"
 #include "Helpers/Log.hpp"
@@ -25 +26 @@
 #include "UIElements/Dialog.hpp"
 #include "Actions/ValueStorage.hpp"
+
+// memento to remember the state when undoing
+
+class AtomRemoveState : public ActionState {
+public:
+  AtomRemoveState(std::vector<AtomicInfo> _Walkers) :
+    Walkers(_Walkers)
+  {}
+  std::vector<AtomicInfo> Walkers;
+};
 
 const char AtomRemoveAction::NAME[] = "remove-atom";
@@ -50 +61 @@
   atom *first = NULL;
 
-  std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
+  // create undo state
+  std::vector<AtomicInfo> Walkers;
+  for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
+    Walkers.push_back(AtomicInfo(*(iter->second)));
+  }
+  AtomRemoveState *UndoState = new AtomRemoveState(Walkers);
+
+  // remove all selected atoms
+//  std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
   for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
     first = iter->second;
     DoLog(1) && (Log() << Verbose(1) << "Removing atom " << first->getId() << "." << endl);
-    // TODO: this is not necessary when atoms and their storing to file are handled by the World
-    // simply try to erase in every molecule found
-    for (std::vector<molecule *>::iterator iter = molecules.begin();iter != molecules.end(); ++iter) {
-      (*iter)->erase(first);
-    }
+//    // TODO: this is not necessary when atoms and their storing to file are handled by the World
+//    // simply try to erase in every molecule found
+//    for (std::vector<molecule *>::iterator iter = molecules.begin();iter != molecules.end(); ++iter) {
+//      (*iter)->erase(first);
+//    }
     World::getInstance().destroyAtom(first);
   }
-  return Action::success;
+  return Action::state_ptr(UndoState);
 }
 
 Action::state_ptr AtomRemoveAction::performUndo(Action::state_ptr _state) {
-//  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
+  AtomRemoveState *state = assert_cast<AtomRemoveState*>(_state.get());
 
-  return Action::failure;
-//  string newName = state->mol->getName();
-//  state->mol->setName(state->lastName);
-//
-//  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
+  size_t i=0;
+  for (; i<state->Walkers.size(); ++i) {
+    // re-create the atom
+    DoLog(1) && (Log() << Verbose(1) << "Re-adding atom " << state->Walkers[i].getId() << "." << endl);
+    atom *Walker = World::getInstance().createAtom();
+    if (!state->Walkers[i].setAtom(*Walker)) {
+      DoeLog(1) && (eLog() << Verbose(1) << "Failed to set id." << endl);
+      World::getInstance().destroyAtom(Walker);
+      break;
+    }
+  }
+  if (i<state->Walkers.size()) {
+    // remove all previous ones, too
+    for (size_t j=0;j<i;++j)
+      World::getInstance().destroyAtom(state->Walkers[j].getId());
+    // and announce the failure of the undo
+    return Action::failure;
+  }
+  return Action::state_ptr(_state);
 }
 
 Action::state_ptr AtomRemoveAction::performRedo(Action::state_ptr _state){
-  return Action::failure;
+  AtomRemoveState *state = assert_cast<AtomRemoveState*>(_state.get());
+
+  // simple remove again all previously added atoms
+  for (size_t i=0; i<state->Walkers.size(); ++i) {
+    DoLog(1) && (Log() << Verbose(1) << "Re-removing atom " << state->Walkers[i].getId() << "." << endl);
+    World::getInstance().destroyAtom(state->Walkers[i].getId());
+  }
+
+  return Action::state_ptr(_state);
 }
 
 bool AtomRemoveAction::canUndo() {
-  return false;
+  return true;
 }
 
 bool AtomRemoveAction::shouldUndo() {
-  return false;
+  return true;
 }
 

src/Makefile.am

@@ -6 +6 @@
 ATOMSOURCE = \
   atom.cpp \
+  AtomicInfo.cpp \
   atom_atominfo.cpp \
   atom_bondedparticle.cpp \
@@ -16 +17 @@
 ATOMHEADER = \
   atom.hpp \
+  AtomicInfo.hpp \
   atom_atominfo.hpp \
   atom_bondedparticle.hpp \

src/atom.cpp

@@ -353 +353 @@
 }
 
-molecule* atom::getMolecule(){
+molecule* atom::getMolecule() const {
   return mol;
 }

src/atom.hpp

@@ -92 +92 @@
 
    void setMolecule(molecule*);
-   molecule* getMolecule();
+   molecule* getMolecule() const;
    void removeFromMolecule();