Changeset b5b01e for src/Actions/FragmentationAction
- Timestamp:
- Sep 19, 2013, 8:23:52 PM (12 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:
- 6367dd
- Parents:
- f92ef3
- git-author:
- Frederik Heber <heber@…> (08/19/13 19:04:10)
- git-committer:
- Frederik Heber <heber@…> (09/19/13 20:23:52)
- Location:
- src/Actions/FragmentationAction
- Files:
-
- 7 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp
rf92ef3 rb5b01e 324 324 } 325 325 326 Action ::state_ptr FragmentationAnalyseFragmentationResultsAction::performCall() {326 ActionState::ptr FragmentationAnalyseFragmentationResultsAction::performCall() { 327 327 328 328 // if file is given, parse from file into resultscontainer … … 431 431 } 432 432 433 Action ::state_ptr FragmentationAnalyseFragmentationResultsAction::performUndo(Action::state_ptr _state) {433 ActionState::ptr FragmentationAnalyseFragmentationResultsAction::performUndo(ActionState::ptr _state) { 434 434 return Action::success; 435 435 } 436 436 437 Action ::state_ptr FragmentationAnalyseFragmentationResultsAction::performRedo(Action::state_ptr _state){437 ActionState::ptr FragmentationAnalyseFragmentationResultsAction::performRedo(ActionState::ptr _state){ 438 438 return Action::success; 439 439 } -
src/Actions/FragmentationAction/FragmentationAction.cpp
rf92ef3 rb5b01e 71 71 #include "Action_impl_pre.hpp" 72 72 /** =========== define the function ====================== */ 73 Action ::state_ptr FragmentationFragmentationAction::performCall() {73 ActionState::ptr FragmentationFragmentationAction::performCall() { 74 74 clock_t start,end; 75 75 int ExitFlag = -1; … … 242 242 } 243 243 244 Action ::state_ptr FragmentationFragmentationAction::performUndo(Action::state_ptr _state) {244 ActionState::ptr FragmentationFragmentationAction::performUndo(ActionState::ptr _state) { 245 245 return Action::success; 246 246 } 247 247 248 Action ::state_ptr FragmentationFragmentationAction::performRedo(Action::state_ptr _state){248 ActionState::ptr FragmentationFragmentationAction::performRedo(ActionState::ptr _state){ 249 249 return Action::success; 250 250 } -
src/Actions/FragmentationAction/FragmentationAutomationAction.cpp
rf92ef3 rb5b01e 97 97 } 98 98 99 Action ::state_ptr FragmentationFragmentationAutomationAction::performCall() {99 ActionState::ptr FragmentationFragmentationAutomationAction::performCall() { 100 100 boost::asio::io_service io_service; 101 101 … … 272 272 } 273 273 274 Action ::state_ptr FragmentationFragmentationAutomationAction::performUndo(Action::state_ptr _state) {274 ActionState::ptr FragmentationFragmentationAutomationAction::performUndo(ActionState::ptr _state) { 275 275 return Action::success; 276 276 } 277 277 278 Action ::state_ptr FragmentationFragmentationAutomationAction::performRedo(Action::state_ptr _state){278 ActionState::ptr FragmentationFragmentationAutomationAction::performRedo(ActionState::ptr _state){ 279 279 return Action::success; 280 280 } -
src/Actions/FragmentationAction/MolecularDynamicsAction.cpp
rf92ef3 rb5b01e 69 69 } 70 70 71 Action ::state_ptr FragmentationMolecularDynamicsAction::performCall(){71 ActionState::ptr FragmentationMolecularDynamicsAction::performCall(){ 72 72 // now we can truely prepare 73 73 ActionQueue &AQ = ActionQueue::getInstance(); … … 84 84 isPrepared = true; 85 85 86 Action ::state_ptr state(MakroAction::performCall());86 ActionState::ptr state(MakroAction::performCall()); 87 87 88 88 return state; 89 89 } 90 90 91 Action ::state_ptr FragmentationMolecularDynamicsAction::performUndo(Action::state_ptr _state) {92 Action ::state_ptr state(MakroAction::performUndo(_state));91 ActionState::ptr FragmentationMolecularDynamicsAction::performUndo(ActionState::ptr _state) { 92 ActionState::ptr state(MakroAction::performUndo(_state)); 93 93 94 94 return state; 95 95 } 96 96 97 Action ::state_ptr FragmentationMolecularDynamicsAction::performRedo(Action::state_ptr _state){98 Action ::state_ptr state(MakroAction::performRedo(_state));97 ActionState::ptr FragmentationMolecularDynamicsAction::performRedo(ActionState::ptr _state){ 98 ActionState::ptr state(MakroAction::performRedo(_state)); 99 99 100 100 return state; -
src/Actions/FragmentationAction/MolecularDynamicsAction.hpp
rf92ef3 rb5b01e 99 99 // void unprepare(ActionRegistry &AR); 100 100 // 101 // virtual Action ::state_ptr performCall();102 // virtual Action ::state_ptr performUndo(Action::state_ptr);103 // virtual Action ::state_ptr performRedo(Action::state_ptr);101 // virtual ActionState::ptr performCall(); 102 // virtual ActionState::ptr performUndo(ActionState::ptr); 103 // virtual ActionState::ptr performRedo(ActionState::ptr); 104 104 // 105 105 //private: -
src/Actions/FragmentationAction/ParseFragmentJobsAction.cpp
rf92ef3 rb5b01e 50 50 #include "Action_impl_pre.hpp" 51 51 /** =========== define the function ====================== */ 52 Action ::state_ptr FragmentationParseFragmentJobsAction::performCall() {52 ActionState::ptr FragmentationParseFragmentJobsAction::performCall() { 53 53 // check for present jobs 54 54 if (params.jobfiles.get().empty()) { … … 72 72 } 73 73 74 Action ::state_ptr FragmentationParseFragmentJobsAction::performUndo(Action::state_ptr _state) {74 ActionState::ptr FragmentationParseFragmentJobsAction::performUndo(ActionState::ptr _state) { 75 75 return Action::success; 76 76 } 77 77 78 Action ::state_ptr FragmentationParseFragmentJobsAction::performRedo(Action::state_ptr _state){78 ActionState::ptr FragmentationParseFragmentJobsAction::performRedo(ActionState::ptr _state){ 79 79 return Action::success; 80 80 } -
src/Actions/FragmentationAction/StoreSaturatedFragmentAction.cpp
rf92ef3 rb5b01e 55 55 #include "Action_impl_pre.hpp" 56 56 /** =========== define the function ====================== */ 57 Action ::state_ptr FragmentationStoreSaturatedFragmentAction::performCall() {57 ActionState::ptr FragmentationStoreSaturatedFragmentAction::performCall() { 58 58 World &world = World::getInstance(); 59 59 … … 87 87 } 88 88 89 Action ::state_ptr FragmentationStoreSaturatedFragmentAction::performUndo(Action::state_ptr _state) {89 ActionState::ptr FragmentationStoreSaturatedFragmentAction::performUndo(ActionState::ptr _state) { 90 90 return Action::success; 91 91 } 92 92 93 Action ::state_ptr FragmentationStoreSaturatedFragmentAction::performRedo(Action::state_ptr _state){93 ActionState::ptr FragmentationStoreSaturatedFragmentAction::performRedo(ActionState::ptr _state){ 94 94 return Action::success; 95 95 }
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