Changeset b1ac7a

Timestamp:

Oct 18, 2011, 3:48:58 PM (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:

9c27b0

Parents:

829761

git-author:

Frederik Heber <heber@…> (09/19/11 15:16:12)

git-committer:

Frederik Heber <heber@…> (10/18/11 15:48:58)

Message:

Added Undo/Redo capabilities to BondLengthTableAction.

• thanks to serialization of BondGraph.

Files:

• src/Actions/CommandAction/BondLengthTableAction.cpp (modified) (5 diffs)
• src/Actions/CommandAction/BondLengthTableAction.def (modified) (1 diff)
• tests/regression/Options/BondLengthTable/testsuite-options-bond-length-table.at (modified) (2 diffs)

src/Actions/CommandAction/BondLengthTableAction.cpp

@@ -17 +17 @@
 #include <config.h>
 #endif
+
+// include headers that implement a archive in simple text format
+#include <boost/archive/text_oarchive.hpp>
+#include <boost/archive/text_iarchive.hpp>
 
 #include "CodePatterns/MemDebug.hpp"
@@ -44 +48 @@
 
   DoLog(0) && (Log() << Verbose(0) << "Using " << params.BondGraphFileName << " as bond length table." << endl);
-  config *configuration = World::getInstance().getConfig();
-  BondGraph *OldBG = World::getInstance().getBondGraph();
+  BondGraph *&BG = World::getInstance().getBondGraph();
 
-  BondGraph *BG = new BondGraph(configuration->GetIsAngstroem());
+  // create undo state
+  std::stringstream undostream;
+  boost::archive::text_oarchive oa(undostream);
+  oa << BG;
+  CommandBondLengthTableState *UndoState =
+      new CommandBondLengthTableState(
+          undostream.str(),
+          params
+      );
+
+  BG->CleanupBondLengthTable();
   if ((!params.BondGraphFileName.empty())
       && boost::filesystem::exists(params.BondGraphFileName)) {
@@ -54 +67 @@
       DoLog(0) && (Log() << Verbose(0) << "Bond length table parsed successfully." << endl);
       input.close();
-      CommandBondLengthTableState *state = new CommandBondLengthTableState(*OldBG, params);
-      World::getInstance().setBondGraph(BG);  // Changes OldBG, hence have to copy beforehand
-      return Action::state_ptr(state);
+      return Action::state_ptr(UndoState);
     } else {
       DoeLog(1) && (eLog()<< Verbose(1) << "Bond length table parsing failed." << endl);
       input.close();
-      return Action::failure;
     }
   } else {
     DoeLog(1) && (eLog()<< Verbose(1) << "Bond length table loading failed." << endl);
-    return Action::failure;
   }
+  // recover bond graph
+  boost::archive::text_iarchive ia(undostream);
+  delete BG;
+  ia >> BG;
+  delete UndoState;
+  return Action::failure;
 }
 
@@ -71 +86 @@
   CommandBondLengthTableState *state = assert_cast<CommandBondLengthTableState*>(_state.get());
 
-  BondGraph *OldBG = World::getInstance().getBondGraph();
-  CommandBondLengthTableState *restate = new CommandBondLengthTableState(*OldBG, params);
-  World::getInstance().setBondGraph(new BondGraph(state->OldBG));  // Changes OldBG, hence have to copy beforehand
+  BondGraph *BG;
+  std::stringstream undostream(state->undostring);
+  boost::archive::text_iarchive ia(undostream);
+  ia >> BG;
+  World::getInstance().setBondGraph(BG);
 
-  return Action::state_ptr(restate);
+  return Action::state_ptr(_state);
 }
 
@@ -81 +98 @@
   CommandBondLengthTableState *state = assert_cast<CommandBondLengthTableState*>(_state.get());
 
-  BondGraph *OldBG = World::getInstance().getBondGraph();
-  CommandBondLengthTableState *restate = new CommandBondLengthTableState(*OldBG, params);
-  World::getInstance().setBondGraph(new BondGraph(state->OldBG));  // Changes OldBG, hence have to copy beforehand
+  BondGraph *&BG = World::getInstance().getBondGraph();
+  BG->CleanupBondLengthTable();
+  std::ifstream input(state->params.BondGraphFileName.string().c_str());
+  if ((input.good()) && (BG->LoadBondLengthTable(input))) {
+    DoLog(0) && (Log() << Verbose(0) << "Bond length table parsed successfully." << endl);
+    input.close();
+  }
 
-  return Action::state_ptr(restate);
+  return Action::state_ptr(_state);
 }
 
 bool CommandBondLengthTableAction::canUndo() {
-  return false;
+  return true;
 }
 
 bool CommandBondLengthTableAction::shouldUndo() {
-  return false;
+  return true;
 }
 /** =========== end of function ====================== */

src/Actions/CommandAction/BondLengthTableAction.def

@@ -19 +19 @@
 #define paramreferences (BondGraphFileName)
 
-#define statetypes (BondGraph)
-#define statereferences (OldBG)
+#define statetypes (std::string)
+#define statereferences (undostring)
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS

tests/regression/Options/BondLengthTable/testsuite-options-bond-length-table.at

@@ -16 +16 @@
 
 AT_SETUP([Standard Options - bond length table with Undo])
-AT_XFAIL_IF([/bin/true])
 AT_KEYWORDS([options bond-table undo])
 
@@ -31 +30 @@
 
 AT_SETUP([Standard Options - bond length table with Redo])
-AT_XFAIL_IF([/bin/true])
 AT_KEYWORDS([options bond-table redo])