Changeset f8456c

Timestamp:

Aug 10, 2010, 11:44:37 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:

ea2830

Parents:

e41c48

Message:

Added Undo/Redo capability to ChangeElement.

• added test for undo/redo to Simple_configuration/4.

Files:

• src/Actions/AtomAction/ChangeElementAction.cpp (modified) (5 diffs)
• tests/regression/testsuite-simple_configuration.at (modified) (1 diff)

src/Actions/AtomAction/ChangeElementAction.cpp

@@ -10 +10 @@
 #include "Actions/AtomAction/ChangeElementAction.hpp"
 #include "Actions/ActionRegistry.hpp"
+#include "Descriptors/AtomIdDescriptor.hpp"
 #include "atom.hpp"
 #include "element.hpp"
@@ -19 +20 @@
 
 #include <iostream>
+#include <map>
 #include <string>
 
@@ -26 +28 @@
 #include "UIElements/Dialog.hpp"
 #include "Actions/ValueStorage.hpp"
+
+typedef std::map<int, const element *> ElementMap;
+
+// memento to remember the state when undoing
+
+class AtomChangeElementState : public ActionState {
+public:
+  AtomChangeElementState(ElementMap _Elements, const element *_elemental) :
+    Elements(_Elements),
+    elemental(_elemental)
+  {}
+  ElementMap Elements;
+  const element *elemental;
+};
 
 const char AtomChangeElementAction::NAME[] = "change-element";
@@ -56 +72 @@
   ValueStorage::getInstance().queryCurrentValue(NAME, elemental);
 
+  // create undo state
+  ElementMap Elements;
+  for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
+    Elements.insert(std::pair<int, const element *> (iter->second->getId(), iter->second->getType()));
+  }
+  AtomChangeElementState *UndoState = new AtomChangeElementState(Elements, elemental);
+
   for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
     first = iter->second;
@@ -64 +87 @@
     mol->AddAtom(first);  // add atom to ensure correctness of formula
   }
-  return Action::success;
+  return Action::state_ptr(UndoState);
 }
 
 Action::state_ptr AtomChangeElementAction::performUndo(Action::state_ptr _state) {
-//  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
+  AtomChangeElementState *state = assert_cast<AtomChangeElementState*>(_state.get());
+  atom *first = NULL;
+  molecule *mol = NULL;
 
-  return Action::failure;
-//  string newName = state->mol->getName();
-//  state->mol->setName(state->lastName);
-//
-//  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
+  for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) {
+    first = World::getInstance().getAtom(AtomById(iter->first));
+    mol = first->getMolecule();
+    first->removeFromMolecule(); // remove atom
+    first->setType(iter->second);
+    mol->AddAtom(first);  // add atom to ensure correctness of formula
+  }
+
+  return Action::state_ptr(_state);
 }
 
 Action::state_ptr AtomChangeElementAction::performRedo(Action::state_ptr _state){
-  return Action::failure;
+  AtomChangeElementState *state = assert_cast<AtomChangeElementState*>(_state.get());
+  atom *first = NULL;
+  molecule *mol = NULL;
+
+  for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) {
+    first = World::getInstance().getAtom(AtomById(iter->first));
+    mol = first->getMolecule();
+    first->removeFromMolecule(); // remove atom
+    first->setType(state->elemental);
+    mol->AddAtom(first);  // add atom to ensure correctness of formula
+  }
+
+  return Action::state_ptr(_state);
 }
 
 bool AtomChangeElementAction::canUndo() {
-  return false;
+  return true;
 }
 
 bool AtomChangeElementAction::shouldUndo() {
-  return false;
+  return true;
 }
 

tests/regression/testsuite-simple_configuration.at

@@ -37 +37 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/pre/test.xyz test.xyz], 0)
 AT_CHECK([../../molecuilder -i test.xyz -e ${abs_top_srcdir}/src/ --select-atom-by-id 0 -E 6 ], 0, [ignore], [ignore])
+AT_CHECK([file=test.xyz; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/post/$file], 0, [ignore], [ignore])
+AT_CLEANUP
+AT_SETUP([Simple configuration - Changing element with Undo/Redo])
+AT_KEYWORDS([configuration])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/pre/test.xyz test.xyz], 0)
+AT_CHECK([../../molecuilder -i test.xyz -e ${abs_top_srcdir}/src/ --select-atom-by-id 0 -E 6 --undo], 0, [ignore], [ignore])
+AT_CHECK([file=test.xyz; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/pre/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/pre/test.xyz test.xyz], 0)
+AT_CHECK([../../molecuilder -i test.xyz -e ${abs_top_srcdir}/src/ --select-atom-by-id 0 -E 6 --undo --redo], 0, [ignore], [ignore])
 AT_CHECK([file=test.xyz; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/post/$file], 0, [ignore], [ignore])
 AT_CLEANUP