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
        Candidate_v1.7.0
        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
      
      
        
          | Last change
 on this file since 3d078d was             be97a8, checked in by Frederik Heber <heber@…>, 15 years ago | 
        
          | 
Merge branch 'StructureRefactoring' into stable
 
Conflicts:
 
test_all.sh
 test_all.sh was modified by Till in StructureRefactoring (these changes taken over).
World::setDomain() was missing OBSERVE macro.
MapOfActions: "molecule-by-name" needs String not Molecule.
TESTFIX: Tesselations/defs.in - paths changed such that @srcdir@ may be absolute.
TESTFIX: Tesselations/heptan/1.5/NonConvexEnvelope.dat - exchanged due to same surface but different polygon triangulation.
TESTFIX: Domain/4 molecule-by-id changed from 208 to 207 due to different handling of molecule ids.
 | 
        
          | 
              
Property                 mode
 set to                 100644 | 
        
          | File size:
            1.8 KB | 
      
      
| Line |  | 
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| 1 | /* | 
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| 2 | * ChangeBoxAction.cpp | 
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| 3 | * | 
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| 4 | *  Created on: May 8, 2010 | 
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| 5 | *      Author: heber | 
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| 6 | */ | 
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| 7 |  | 
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| 8 | #include "Helpers/MemDebug.hpp" | 
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| 9 |  | 
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| 10 | #include "Actions/WorldAction/ChangeBoxAction.hpp" | 
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| 11 | #include "log.hpp" | 
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| 12 | #include "verbose.hpp" | 
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| 13 | #include "World.hpp" | 
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| 14 | #include "Box.hpp" | 
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| 15 | #include "Matrix.hpp" | 
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| 16 |  | 
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| 17 | #include <iostream> | 
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| 18 | #include <string> | 
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| 19 |  | 
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| 20 | using namespace std; | 
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| 21 |  | 
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| 22 | #include "UIElements/UIFactory.hpp" | 
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| 23 | #include "UIElements/Dialog.hpp" | 
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| 24 | #include "Actions/MapOfActions.hpp" | 
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| 25 |  | 
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| 26 | const char WorldChangeBoxAction::NAME[] = "change-box"; | 
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| 27 |  | 
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| 28 | WorldChangeBoxAction::WorldChangeBoxAction() : | 
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| 29 | Action(NAME) | 
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| 30 | {} | 
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| 31 |  | 
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| 32 | WorldChangeBoxAction::~WorldChangeBoxAction() | 
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| 33 | {} | 
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| 34 |  | 
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| 35 | Action::state_ptr WorldChangeBoxAction::performCall() { | 
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| 36 | Dialog *dialog = UIFactory::getInstance().makeDialog(); | 
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| 37 |  | 
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| 38 | Box& cell_size = World::getInstance().getDomain(); | 
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| 39 | dialog->queryBox(NAME, &cell_size, MapOfActions::getInstance().getDescription(NAME)); | 
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| 40 |  | 
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| 41 | if(dialog->display()) { | 
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| 42 | DoLog(0) && (Log() << Verbose(0) << "Setting box domain to " << cell_size.getM() << endl); | 
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| 43 | World::getInstance().setDomain(cell_size.getM()); | 
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| 44 | delete dialog; | 
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| 45 | return Action::success; | 
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| 46 | } else { | 
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| 47 | delete dialog; | 
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| 48 | return Action::failure; | 
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| 49 | } | 
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| 50 | } | 
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| 51 |  | 
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| 52 | Action::state_ptr WorldChangeBoxAction::performUndo(Action::state_ptr _state) { | 
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| 53 | //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get()); | 
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| 54 |  | 
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| 55 | return Action::failure; | 
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| 56 | //  string newName = state->mol->getName(); | 
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| 57 | //  state->mol->setName(state->lastName); | 
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| 58 | // | 
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| 59 | //  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName)); | 
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| 60 | } | 
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| 61 |  | 
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| 62 | Action::state_ptr WorldChangeBoxAction::performRedo(Action::state_ptr _state){ | 
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| 63 | return Action::failure; | 
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| 64 | } | 
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| 65 |  | 
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| 66 | bool WorldChangeBoxAction::canUndo() { | 
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| 67 | return false; | 
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| 68 | } | 
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| 69 |  | 
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| 70 | bool WorldChangeBoxAction::shouldUndo() { | 
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| 71 | return false; | 
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| 72 | } | 
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| 73 |  | 
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| 74 | const string WorldChangeBoxAction::getName() { | 
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| 75 | return NAME; | 
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| 76 | } | 
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