Changeset b5b01e for src/Actions/MoleculeAction/LoadAction.cpp
- 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)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
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src/Actions/MoleculeAction/LoadAction.cpp
rf92ef3 rb5b01e 57 57 #include "Action_impl_pre.hpp" 58 58 /** =========== define the function ====================== */ 59 Action ::state_ptr MoleculeLoadAction::performCall() {59 ActionState::ptr MoleculeLoadAction::performCall() { 60 60 // parsing file if present 61 61 if (!boost::filesystem::exists(params.filename.get())) { … … 98 98 LOG(0, "Chemical formula is " << (*iter)->getFormula()); 99 99 100 return Action ::state_ptr(100 return ActionState::ptr( 101 101 new MoleculeLoadState((*iter)->getId(),FilenamePrefix,FilenameSuffix,boost::shared_ptr<FormatParser_Parameters>(ParserParams),params) 102 102 ); … … 104 104 } 105 105 106 Action ::state_ptr MoleculeLoadAction::performUndo(Action::state_ptr _state) {106 ActionState::ptr MoleculeLoadAction::performUndo(ActionState::ptr _state) { 107 107 MoleculeLoadState *state = assert_cast<MoleculeLoadState*>(_state.get()); 108 108 … … 119 119 ParserParams->makeClone(*state->ParserParameters); 120 120 121 return Action ::state_ptr(_state);121 return ActionState::ptr(_state); 122 122 } 123 123 124 Action ::state_ptr MoleculeLoadAction::performRedo(Action::state_ptr _state){124 ActionState::ptr MoleculeLoadAction::performRedo(ActionState::ptr _state){ 125 125 MoleculeLoadState *state = assert_cast<MoleculeLoadState*>(_state.get()); 126 126 … … 145 145 LOG(0, "Chemical formula is " << (*iter)->getFormula()); 146 146 147 return Action ::state_ptr(147 return ActionState::ptr( 148 148 new MoleculeLoadState((*iter)->getId(),state->FilenamePrefix,state->FilenameSuffix,boost::shared_ptr<FormatParser_Parameters>(ParserParams),params) 149 149 );
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