Changeset d09093 for src/Actions/GraphAction/SubgraphDissectionAction.cpp
- Timestamp:
- Mar 7, 2011, 11:40:27 AM (14 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:
- dda246
- Parents:
- 197e13
- git-author:
- Frederik Heber <heber@…> (03/01/11 14:22:07)
- git-committer:
- Frederik Heber <heber@…> (03/07/11 11:40:27)
- File:
-
- 1 moved
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/GraphAction/SubgraphDissectionAction.cpp
r197e13 rd09093 41 41 using namespace std; 42 42 43 #include "Actions/ FragmentationAction/SubgraphDissectionAction.hpp"43 #include "Actions/GraphAction/SubgraphDissectionAction.hpp" 44 44 45 45 // and construct the stuff … … 47 47 #include "Action_impl_pre.hpp" 48 48 /** =========== define the function ====================== */ 49 Action::state_ptr FragmentationSubgraphDissectionAction::performCall() {49 Action::state_ptr GraphSubgraphDissectionAction::performCall() { 50 50 // obtain information 51 51 getParametersfromValueStorage(); … … 64 64 moleculelist.insert( std::pair< moleculeId_t, std::vector<atomId_t> > ((*moliter)->getId(), atomlist)); 65 65 } 66 FragmentationSubgraphDissectionState *UndoState = new FragmentationSubgraphDissectionState(moleculelist, params);66 GraphSubgraphDissectionState *UndoState = new GraphSubgraphDissectionState(moleculelist, params); 67 67 68 68 // 0a. remove all present molecules … … 117 117 } 118 118 119 Action::state_ptr FragmentationSubgraphDissectionAction::performUndo(Action::state_ptr _state) {120 FragmentationSubgraphDissectionState *state = assert_cast<FragmentationSubgraphDissectionState*>(_state.get());119 Action::state_ptr GraphSubgraphDissectionAction::performUndo(Action::state_ptr _state) { 120 GraphSubgraphDissectionState *state = assert_cast<GraphSubgraphDissectionState*>(_state.get()); 121 121 122 122 { … … 149 149 } 150 150 151 Action::state_ptr FragmentationSubgraphDissectionAction::performRedo(Action::state_ptr _state){151 Action::state_ptr GraphSubgraphDissectionAction::performRedo(Action::state_ptr _state){ 152 152 return performCall(); 153 153 } 154 154 155 bool FragmentationSubgraphDissectionAction::canUndo() {155 bool GraphSubgraphDissectionAction::canUndo() { 156 156 return true; 157 157 } 158 158 159 bool FragmentationSubgraphDissectionAction::shouldUndo() {159 bool GraphSubgraphDissectionAction::shouldUndo() { 160 160 return true; 161 161 }
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