Changeset ca331c for src/Actions/ParserAction/SetTremoloAtomdataAction.cpp
- Timestamp:
- Jun 18, 2012, 10:53:30 AM (13 years ago)
- 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:
- 345883
- Parents:
- 5b0581
- git-author:
- Frederik Heber <heber@…> (06/14/12 13:24:13)
- git-committer:
- Frederik Heber <heber@…> (06/18/12 10:53:30)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/ParserAction/SetTremoloAtomdataAction.cpp
r5b0581 rca331c 43 43 LOG(1, "Setting Tremolo's ATOMDATA to: '" << params.atomdata_string.get() << "'"); 44 44 45 parser.setAtomData(params.atomdata_string.get());45 const std::string old_atomdata = parser.getAtomData(); 46 46 47 return Action::success; 47 if (params.atomdata_reset.get()) 48 parser.resetAtomData(params.atomdata_string.get()); 49 else 50 parser.setAtomData(params.atomdata_string.get()); 51 52 return Action::state_ptr(new ParserSetTremoloAtomdataState(old_atomdata, params)); 48 53 } 49 54 50 55 Action::state_ptr ParserSetTremoloAtomdataAction::performUndo(Action::state_ptr _state) { 51 // ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());56 ParserSetTremoloAtomdataState *state = assert_cast<ParserSetTremoloAtomdataState*>(_state.get()); 52 57 53 return Action::failure;54 // string newName = state->mol->getName();55 // state->mol->setName(state->lastName);56 // 57 // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));58 FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>(); 59 LOG(1, "INFO: Reverting to 'ATOMDATA " << state->old_atomdata << "'."); 60 parser.resetAtomData(state->old_atomdata); 61 62 return Action::state_ptr(_state); 58 63 } 59 64 60 65 Action::state_ptr ParserSetTremoloAtomdataAction::performRedo(Action::state_ptr _state){ 61 return Action::failure; 66 ParserSetTremoloAtomdataState *state = assert_cast<ParserSetTremoloAtomdataState*>(_state.get()); 67 68 FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>(); 69 70 if (state->params.atomdata_reset.get()) 71 parser.resetAtomData(state->params.atomdata_string.get()); 72 else 73 parser.setAtomData(state->params.atomdata_string.get()); 74 75 return Action::state_ptr(_state); 62 76 } 63 77 64 78 bool ParserSetTremoloAtomdataAction::canUndo() { 65 return false;79 return true; 66 80 } 67 81 68 82 bool ParserSetTremoloAtomdataAction::shouldUndo() { 69 return false;83 return true; 70 84 } 71 85 /** =========== end of function ====================== */
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