Changeset 055ad7 for src/Actions/GraphAction/CreateAdjacencyAction.cpp

Timestamp:

Apr 8, 2013, 11:56:08 AM (12 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:

560cbf

Parents:

f2fda6

git-author:

Frederik Heber <heber@…> (03/01/13 19:32:41)

git-committer:

Frederik Heber <heber@…> (04/08/13 11:56:08)

Message:

Added Undo/Redo functionality to CreateAdjacencyAction.

• also added regression test on whole functionality.

File:

• src/Actions/GraphAction/CreateAdjacencyAction.cpp (modified) (4 diffs)

src/Actions/GraphAction/CreateAdjacencyAction.cpp

@@ -35 +35 @@
 #include "CodePatterns/MemDebug.hpp"
 
+#include "CodePatterns/Assert.hpp"
 #include "CodePatterns/Log.hpp"
 
@@ -50 +51 @@
 using namespace MoleCuilder;
 
+// Storing undo state
+struct BondInfo_t {
+  atomId_t leftatom;
+  atomId_t rightatom;
+  size_t degree;
+};
+
 // and construct the stuff
 #include "CreateAdjacencyAction.def"
@@ -58 +66 @@
   ASSERT(BG != NULL, "GraphCreateAdjacencyAction: BondGraph is NULL.");
 
+  // count all present bonds
   World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
+  std::vector<BondInfo_t> bonds;
+  {
+    size_t count_bonds = 0;
+    for (World::AtomComposite::const_iterator iter = Set.begin();
+        iter != Set.end();
+        ++iter) {
+      const atom * const Walker = *iter;
+      count_bonds += Walker->getListOfBonds().size();
+    }
+    bonds.reserve(count_bonds/2);
+  }
+  // Storing undo info
+  for (World::AtomComposite::const_iterator iter = Set.begin();
+      iter != Set.end();
+      ++iter) {
+    const atom * const Walker = *iter;
+    const BondList& ListOfBonds = Walker->getListOfBonds();
+    for (BondList::const_iterator bonditer = ListOfBonds.begin();
+        bonditer != ListOfBonds.end();
+        ++bonditer) {
+      const bond::ptr &CurrentBond = *bonditer;
+      // if both atoms are in selected set, we check ids otherwise not
+      if (((!World::getInstance().isSelected(CurrentBond->leftatom))
+          || (!World::getInstance().isSelected(CurrentBond->rightatom)))
+          || (CurrentBond->leftatom->getId() < CurrentBond->rightatom->getId())) {
+        BondInfo_t BondInfo;
+        BondInfo.leftatom = CurrentBond->leftatom->getId();
+        BondInfo.rightatom = CurrentBond->rightatom->getId();
+        BondInfo.degree = CurrentBond->BondDegree;
+        bonds.push_back(BondInfo);
+      }
+    }
+  }
+  GraphCreateAdjacencyState *UndoState = new GraphCreateAdjacencyState(bonds, params);
+
+  // now recreate adjacency
   BG->CreateAdjacency(Set);
 
+  // give info
   size_t BondCount = 0;
   std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
@@ -68 +114 @@
   LOG(0, "STATUS: Recognized " << BondCount << " bonds.");
 
-  return Action::success;
+  return Action::state_ptr(UndoState);
 }
 
 Action::state_ptr GraphCreateAdjacencyAction::performUndo(Action::state_ptr _state) {
-//  GraphCreateAdjacencyState *state = assert_cast<GraphCreateAdjacencyState*>(_state.get());
+  GraphCreateAdjacencyState *state = assert_cast<GraphCreateAdjacencyState*>(_state.get());
 
-  return Action::success;
+  BondGraph *BG = World::getInstance().getBondGraph();
+  ASSERT(BG != NULL, "GraphCreateAdjacencyAction: BondGraph is NULL.");
+
+  // remove all bonds in the set
+  World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
+  BG->cleanAdjacencyList(Set);
+
+  // recreate from stored info
+  const size_t CurrentTime = WorldTime::getTime();
+  std::vector<BondInfo_t> &bonds = state->bonds;
+  for(std::vector<BondInfo_t>::const_iterator iter = bonds.begin();
+      iter != bonds.end(); ++iter) {
+    atom * const Walker = World::getInstance().getAtom(AtomById(iter->leftatom));
+    ASSERT( Walker != NULL,
+        "GraphCreateAdjacencyAction::performUndo() - "+toString(iter->leftatom)+" missing.");
+    atom * const OtherWalker = World::getInstance().getAtom(AtomById(iter->rightatom));
+    ASSERT( OtherWalker != NULL,
+        "GraphCreateAdjacencyAction::performUndo() - "+toString(iter->rightatom)+" missing.");
+    bond::ptr CurrentBond = Walker->addBond(CurrentTime, OtherWalker);
+    CurrentBond->BondDegree = iter->degree;
+  }
+  return Action::state_ptr(_state);
 }
 
 Action::state_ptr GraphCreateAdjacencyAction::performRedo(Action::state_ptr _state){
-  return Action::success;
+  BondGraph *BG = World::getInstance().getBondGraph();
+  ASSERT(BG != NULL, "GraphCreateAdjacencyAction: BondGraph is NULL.");
+
+  // now recreate adjacency
+  World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
+  BG->CreateAdjacency(Set);
+
+  return Action::state_ptr(_state);
 }
 
 bool GraphCreateAdjacencyAction::canUndo() {
-  return false;
+  return true;
 }
 
 bool GraphCreateAdjacencyAction::shouldUndo() {
-  return false;
+  return true;
 }
 /** =========== end of function ====================== */