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
      
      
      
| Rev | Line |   | 
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| [03bb99] | 1 | /*
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 | 2 |  * SaveXyzAction.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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| [112b09] | 8 | #include "Helpers/MemDebug.hpp"
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 | 9 | 
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| [03bb99] | 10 | #include "Actions/ParserAction/SaveXyzAction.hpp"
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 | 11 | #include "Parser/XyzParser.hpp"
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 | 12 | 
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 | 13 | #include <iostream>
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 | 14 | #include <string>
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 | 15 | 
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 | 16 | using namespace std;
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 | 17 | 
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 | 18 | #include "UIElements/UIFactory.hpp"
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 | 19 | #include "UIElements/Dialog.hpp"
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| [97ebf8] | 20 | #include "Actions/MapOfActions.hpp"
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| [03bb99] | 21 | 
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 | 22 | #include "atom.hpp"
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 | 23 | #include "molecule.hpp"
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 | 24 | 
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 | 25 | /****** ParserSaveXyzAction *****/
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 | 26 | 
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 | 27 | //// memento to remember the state when undoing
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 | 28 | //
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 | 29 | //class ParserSaveXyzState : public ActionState {
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 | 30 | //public:
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 | 31 | //  ParserSaveXyzState(molecule* _mol,std::string _lastName) :
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 | 32 | //    mol(_mol),
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 | 33 | //    lastName(_lastName)
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 | 34 | //  {}
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 | 35 | //  molecule* mol;
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 | 36 | //  std::string lastName;
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 | 37 | //};
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 | 38 | 
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| [ecb799] | 39 | const char ParserSaveXyzAction::NAME[] = "SaveXyz";
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| [03bb99] | 40 | 
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 | 41 | ParserSaveXyzAction::ParserSaveXyzAction() :
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 | 42 |   Action(NAME)
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 | 43 | {}
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 | 44 | 
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 | 45 | ParserSaveXyzAction::~ParserSaveXyzAction()
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 | 46 | {}
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 | 47 | 
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 | 48 | Action::state_ptr ParserSaveXyzAction::performCall() {
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 | 49 |   string filename;
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 | 50 |   XyzParser parser;
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 | 51 |   Dialog *dialog = UIFactory::getInstance().makeDialog();
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 | 52 | 
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 | 53 |   dialog->queryString("filename",&filename, "Filename of the xyz file");
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 | 54 | 
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 | 55 |   if(dialog->display()) {
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 | 56 |     // store xyz file
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 | 57 |     ofstream output;
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 | 58 |     output.open(filename.c_str());
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 | 59 |     if (!output.fail())
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 | 60 |       parser.save(&output);
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 | 61 |     output.close();
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 | 62 |   }
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 | 63 |   delete dialog;
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 | 64 |   return Action::failure;
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 | 65 | }
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 | 66 | 
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| [808fd3] | 67 | Action::state_ptr ParserSaveXyzAction::performUndo(Action::state_ptr _state) {
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| [03bb99] | 68 | //  ParserSaveXyzState *state = assert_cast<ParserSaveXyzState*>(_state.get());
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| [808fd3] | 69 | 
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 | 70 |   return Action::failure;
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| [03bb99] | 71 | //  string newName = state->mol->getName();
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 | 72 | //  state->mol->setName(state->lastName);
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 | 73 | //
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 | 74 | //  return Action::state_ptr(new ParserSaveXyzState(state->mol,newName));
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| [808fd3] | 75 | }
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 | 76 | 
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 | 77 | Action::state_ptr ParserSaveXyzAction::performRedo(Action::state_ptr _state){
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 | 78 |   return Action::failure;
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| [03bb99] | 79 | //  // Undo and redo have to do the same for this action
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 | 80 | //  return performUndo(_state);
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| [808fd3] | 81 | }
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| [03bb99] | 82 | 
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 | 83 | bool ParserSaveXyzAction::canUndo() {
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 | 84 |   return false;
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 | 85 | }
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 | 86 | 
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 | 87 | bool ParserSaveXyzAction::shouldUndo() {
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 | 88 |   return false;
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 | 89 | }
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 | 90 | 
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 | 91 | const string ParserSaveXyzAction::getName() {
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 | 92 |   return NAME;
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 | 93 | }
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