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
Last change
on this file since f0a3ec was 623e89, checked in by Frederik Heber <heber@…>, 15 years ago |
Compilation took ages because of CommandLineParser.hpp being unnecessarily included in every action.
- it was actually needed in HelperAction.cpp and copy&pasted itself from there into almost all others.
|
-
Property mode
set to
100644
|
File size:
2.1 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 "atom.hpp"
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| 10 | #include "log.hpp"
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| 11 | #include "vector.hpp"
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| 12 | #include "verbose.hpp"
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| 13 | #include "World.hpp"
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| 14 |
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| 15 | #include <iostream>
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| 16 | #include <string>
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| 17 |
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| 18 | using namespace std;
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| 19 |
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| 20 | #include "UIElements/UIFactory.hpp"
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| 21 | #include "UIElements/Dialog.hpp"
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| 22 | #include "Actions/MapOfActions.hpp"
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| 23 |
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| 24 | const char AtomChangeElementAction::NAME[] = "change-element";
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| 25 |
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| 26 | AtomChangeElementAction::AtomChangeElementAction() :
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| 27 | Action(NAME)
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| 28 | {}
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| 29 |
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| 30 | AtomChangeElementAction::~AtomChangeElementAction()
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| 31 | {}
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| 32 |
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| 33 | Action::state_ptr AtomChangeElementAction::performCall() {
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| 34 | Dialog *dialog = UIFactory::getInstance().makeDialog();
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| 35 | atom *first = NULL;
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[104524] | 36 | std::vector<element *> elements;
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[97ebf8] | 37 |
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[104524] | 38 | dialog->queryElement(NAME, &elements, MapOfActions::getInstance().getDescription(NAME));
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[97ebf8] | 39 | dialog->queryAtom("atom-by-id", &first, MapOfActions::getInstance().getDescription("atom-by-id"));
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| 40 |
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| 41 | if(dialog->display()) {
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| 42 | delete dialog;
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[104524] | 43 | ASSERT(elements.size() == 1, "Unequal to one element specified when changing an atom's element");
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| 44 | DoLog(1) && (Log() << Verbose(1) << "Changing atom " << *first << " to element " << elements.at(0) << "." << endl);
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| 45 | if (elements.at(0) != NULL) {
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| 46 | first->type = elements.at(0);
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[97ebf8] | 47 | return Action::success;
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| 48 | } else
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| 49 | return Action::failure;
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| 50 | } else {
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| 51 | delete dialog;
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| 52 | return Action::failure;
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| 53 | }
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| 54 |
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| 55 | }
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| 56 |
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| 57 | Action::state_ptr AtomChangeElementAction::performUndo(Action::state_ptr _state) {
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| 58 | // ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
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| 59 |
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| 60 | return Action::failure;
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| 61 | // string newName = state->mol->getName();
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| 62 | // state->mol->setName(state->lastName);
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| 63 | //
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| 64 | // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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| 65 | }
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| 66 |
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| 67 | Action::state_ptr AtomChangeElementAction::performRedo(Action::state_ptr _state){
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| 68 | return Action::failure;
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| 69 | }
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| 70 |
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| 71 | bool AtomChangeElementAction::canUndo() {
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| 72 | return false;
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| 73 | }
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| 74 |
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| 75 | bool AtomChangeElementAction::shouldUndo() {
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| 76 | return false;
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| 77 | }
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| 78 |
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| 79 | const string AtomChangeElementAction::getName() {
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| 80 | return NAME;
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| 81 | }
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