- Timestamp:
- Sep 19, 2013, 8:23:52 PM (11 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)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp
rf92ef3 rb5b01e 60 60 #include "Action_impl_pre.hpp" 61 61 /** =========== define the function ====================== */ 62 Action ::state_ptr MoleculeFillVoidWithMoleculeAction::performCall() {62 ActionState::ptr MoleculeFillVoidWithMoleculeAction::performCall() { 63 63 if (!boost::filesystem::exists(params.fillername.get())) { 64 64 ELOG(1, "File with filler molecule " << params.fillername.get() << " does not exist!"); … … 123 123 // LOG(0, fillermolecules.size() << " molecules have been inserted."); 124 124 125 return Action ::state_ptr(new MoleculeFillVoidWithMoleculeState(fillermolecules,params));125 return ActionState::ptr(new MoleculeFillVoidWithMoleculeState(fillermolecules,params)); 126 126 } 127 127 128 Action ::state_ptr MoleculeFillVoidWithMoleculeAction::performUndo(Action::state_ptr _state) {128 ActionState::ptr MoleculeFillVoidWithMoleculeAction::performUndo(ActionState::ptr _state) { 129 129 MoleculeFillVoidWithMoleculeState *state = assert_cast<MoleculeFillVoidWithMoleculeState*>(_state.get()); 130 130 … … 146 146 // as molecules and atoms from state are removed, we have to create a new one 147 147 std::vector<molecule *> fillermolecules; 148 return Action ::state_ptr(new MoleculeFillVoidWithMoleculeState(fillermolecules,state->params));148 return ActionState::ptr(new MoleculeFillVoidWithMoleculeState(fillermolecules,state->params)); 149 149 } 150 150 151 Action ::state_ptr MoleculeFillVoidWithMoleculeAction::performRedo(Action::state_ptr _state){151 ActionState::ptr MoleculeFillVoidWithMoleculeAction::performRedo(ActionState::ptr _state){ 152 152 //MoleculeFillVoidWithMoleculeState *state = assert_cast<MoleculeFillVoidWithMoleculeState*>(_state.get()); 153 153 154 154 return Action::failure; 155 //return Action ::state_ptr(_state);155 //return ActionState::ptr(_state); 156 156 } 157 157
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