Changeset b5b01e for src/Actions/PotentialAction
- 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/PotentialAction
- Files:
-
- 4 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/PotentialAction/FitParticleChargesAction.cpp
rf92ef3 rb5b01e 109 109 } 110 110 111 Action ::state_ptr PotentialFitParticleChargesAction::performCall() {111 ActionState::ptr PotentialFitParticleChargesAction::performCall() { 112 112 113 113 // fragment specifies the homology fragment to use … … 155 155 } 156 156 157 Action ::state_ptr PotentialFitParticleChargesAction::performUndo(Action::state_ptr _state) {157 ActionState::ptr PotentialFitParticleChargesAction::performUndo(ActionState::ptr _state) { 158 158 return Action::success; 159 159 } 160 160 161 Action ::state_ptr PotentialFitParticleChargesAction::performRedo(Action::state_ptr _state){161 ActionState::ptr PotentialFitParticleChargesAction::performRedo(ActionState::ptr _state){ 162 162 return Action::success; 163 163 } -
src/Actions/PotentialAction/FitPotentialAction.cpp
rf92ef3 rb5b01e 113 113 } 114 114 115 Action ::state_ptr PotentialFitPotentialAction::performCall() {115 ActionState::ptr PotentialFitPotentialAction::performCall() { 116 116 // fragment specifies the homology fragment to use 117 117 SerializablePotential::ParticleTypes_t fragmentnumbers; … … 339 339 } 340 340 341 Action ::state_ptr PotentialFitPotentialAction::performUndo(Action::state_ptr _state) {341 ActionState::ptr PotentialFitPotentialAction::performUndo(ActionState::ptr _state) { 342 342 return Action::success; 343 343 } 344 344 345 Action ::state_ptr PotentialFitPotentialAction::performRedo(Action::state_ptr _state){345 ActionState::ptr PotentialFitPotentialAction::performRedo(ActionState::ptr _state){ 346 346 return Action::success; 347 347 } -
src/Actions/PotentialAction/ParseHomologiesAction.cpp
rf92ef3 rb5b01e 76 76 } 77 77 78 Action ::state_ptr PotentialParseHomologiesAction::performCall()78 ActionState::ptr PotentialParseHomologiesAction::performCall() 79 79 { 80 80 // append all keysets to homology file … … 91 91 } 92 92 93 Action ::state_ptr PotentialParseHomologiesAction::performUndo(Action::state_ptr _state) {93 ActionState::ptr PotentialParseHomologiesAction::performUndo(ActionState::ptr _state) { 94 94 return Action::success; 95 95 } 96 96 97 Action ::state_ptr PotentialParseHomologiesAction::performRedo(Action::state_ptr _state){97 ActionState::ptr PotentialParseHomologiesAction::performRedo(ActionState::ptr _state){ 98 98 return Action::success; 99 99 } -
src/Actions/PotentialAction/SaveHomologiesAction.cpp
rf92ef3 rb5b01e 79 79 } 80 80 81 Action ::state_ptr PotentialSaveHomologiesAction::performCall()81 ActionState::ptr PotentialSaveHomologiesAction::performCall() 82 82 { 83 83 if (!params.homology_file.get().empty()) { … … 93 93 } 94 94 95 Action ::state_ptr PotentialSaveHomologiesAction::performUndo(Action::state_ptr _state) {95 ActionState::ptr PotentialSaveHomologiesAction::performUndo(ActionState::ptr _state) { 96 96 return Action::success; 97 97 } 98 98 99 Action ::state_ptr PotentialSaveHomologiesAction::performRedo(Action::state_ptr _state){99 ActionState::ptr PotentialSaveHomologiesAction::performRedo(ActionState::ptr _state){ 100 100 return Action::success; 101 101 }
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