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        Add_AtomRandomPerturbation
        Add_FitFragmentPartialChargesAction
        Add_RotateAroundBondAction
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        Added_ParseSaveFragmentResults
        AddingActions_SaveParseParticleParameters
        Adding_Graph_to_ChangeBondActions
        Adding_MD_integration_tests
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        Adding_StructOpt_integration_tests
        AtomFragments
        Automaking_mpqc_open
        AutomationFragmentation_failures
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        Candidate_v1.6.1
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        Debian_Package_split
        Debian_package_split_molecuildergui_only
        Disabling_MemDebug
        Docu_Python_wait
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        EmpiricalPotential_contain_HomologyGraph_documentation
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        Enhanced_StructuralOptimization_continued
        Example_ManyWaysToTranslateAtom
        Exclude_Hydrogens_annealWithBondGraph
        FitPartialCharges_GlobalError
        Fix_BoundInBox_CenterInBox_MoleculeActions
        Fix_ChargeSampling_PBC
        Fix_ChronosMutex
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        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
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        Fix_StepWorldTime_single_argument
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        Fixes
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        ForceAnnealing_with_BondGraph_continued
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        FragmentAction_writes_AtomFragments
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        PdbParser_setsAtomName
        PythonUI_with_named_parameters
        QtGui_reactivate_TimeChanged_changes
        Recreated_GuiChecks
        Rewrite_FitPartialCharges
        RotateToPrincipalAxisSystem_UndoRedo
        SaturateAtoms_findBestMatching
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        StoppableMakroAction
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        Subpackage_JobMarket
        Subpackage_LinearAlgebra
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        Subpackage_mpqc_open
        Subpackage_vmg
        Switchable_LogView
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        TrajectoryDependenant_MaxOrder
        TremoloParser_IncreasedPrecision
        TremoloParser_MultipleTimesteps
        TremoloParser_setsAtomName
        Ubuntu_1604_changes
        stable
      
      
        
          | 
            Last change
 on this file since 98a8b4 was             97ebf8, checked in by Frederik Heber <heber@…>, 15 years ago           | 
        
        
          | 
             
Added all commands defined in ParseCommandLineOptions() as Actions. 
 
- Actions are not yet used, except verbose, version and help.
 - Files are present and included in Makefile.am
 - not unit tests written so far
 - no action has been tested so far (except for MapOfActions)
 - structure introduced to to transition from ParseCommandLineOptions to actions.
 - program name and config file are fixed arguments.
 
 
Signed-off-by: Frederik Heber <heber@…> 
 
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 set to                 
100644
               
             
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          | 
            File size:
            2.0 KB
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| Rev | Line |   | 
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| [97ebf8] | 1 | /*
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 | 2 |  * ChangeElementAction.cpp
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 | 3 |  *
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 | 4 |  *  Created on: May 9, 2010
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 | 5 |  *      Author: heber
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 | 6 |  */
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 | 7 | 
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 | 8 | #include "Actions/AtomAction/ChangeElementAction.hpp"
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 | 9 | #include "CommandLineParser.hpp"
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 | 10 | #include "atom.hpp"
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 | 11 | #include "log.hpp"
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 | 12 | #include "vector.hpp"
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 | 13 | #include "verbose.hpp"
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 | 14 | #include "World.hpp"
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 | 15 | 
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 | 16 | #include <iostream>
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 | 17 | #include <string>
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 | 18 | 
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 | 19 | using namespace std;
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 | 20 | 
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 | 21 | #include "UIElements/UIFactory.hpp"
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 | 22 | #include "UIElements/Dialog.hpp"
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 | 23 | #include "Actions/MapOfActions.hpp"
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 | 24 | 
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 | 25 | const char AtomChangeElementAction::NAME[] = "change-element";
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 | 26 | 
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 | 27 | AtomChangeElementAction::AtomChangeElementAction() :
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 | 28 |   Action(NAME)
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 | 29 | {}
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 | 30 | 
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 | 31 | AtomChangeElementAction::~AtomChangeElementAction()
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 | 32 | {}
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 | 33 | 
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 | 34 | Action::state_ptr AtomChangeElementAction::performCall() {
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 | 35 |   Dialog *dialog = UIFactory::getInstance().makeDialog();
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 | 36 |   int Z = -1;
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 | 37 |   atom *first = NULL;
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 | 38 |   element *elemental = NULL;
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 | 39 | 
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 | 40 |   dialog->queryElement(NAME, (const element **) &elemental, MapOfActions::getInstance().getDescription(NAME));
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 | 41 |   dialog->queryAtom("atom-by-id", &first, MapOfActions::getInstance().getDescription("atom-by-id"));
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 | 42 | 
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 | 43 |   if(dialog->display()) {
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 | 44 |     delete dialog;
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 | 45 |     DoLog(1) && (Log() << Verbose(1) << "Changing atom " << *first << " to element " << elemental << "." << endl);
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 | 46 |     if (elemental != NULL) {
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 | 47 |       first->type = elemental;
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 | 48 |       return Action::success;
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 | 49 |     } else
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 | 50 |       return Action::failure;
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 | 51 |   } else {
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 | 52 |     delete dialog;
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 | 53 |     return Action::failure;
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 | 54 |   }
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 | 55 | 
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 | 56 | }
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 | 57 | 
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 | 58 | Action::state_ptr AtomChangeElementAction::performUndo(Action::state_ptr _state) {
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 | 59 | //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
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 | 60 | 
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 | 61 |   return Action::failure;
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 | 62 | //  string newName = state->mol->getName();
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 | 63 | //  state->mol->setName(state->lastName);
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 | 64 | //
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 | 65 | //  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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 | 66 | }
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 | 67 | 
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 | 68 | Action::state_ptr AtomChangeElementAction::performRedo(Action::state_ptr _state){
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 | 69 |   return Action::failure;
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 | 70 | }
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 | 71 | 
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 | 72 | bool AtomChangeElementAction::canUndo() {
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 | 73 |   return false;
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 | 74 | }
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 | 75 | 
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 | 76 | bool AtomChangeElementAction::shouldUndo() {
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 | 77 |   return false;
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 | 78 | }
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 | 79 | 
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 | 80 | const string AtomChangeElementAction::getName() {
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 | 81 |   return NAME;
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 | 82 | }
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