Changeset b31bc4 for src/Actions/ManipulateAtomsProcess.cpp
- Timestamp:
- Mar 25, 2010, 12:01:58 PM (16 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, Candidate_v1.7.0, 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:
- 9848ba
- Parents:
- 66e95e (diff), d56640 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
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- 1 edited
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src/Actions/ManipulateAtomsProcess.cpp (modified) (3 diffs)
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src/Actions/ManipulateAtomsProcess.cpp
r66e95e rb31bc4 9 9 10 10 #include <iostream> 11 12 #include "World.hpp" 13 #include "Helpers/Assert.hpp" 11 14 12 15 using namespace std; … … 22 25 {} 23 26 24 void ManipulateAtomsProcess::call(){ 25 World::get()->doManipulate(this); 27 Action::state_ptr ManipulateAtomsProcess::performCall(){ 28 World::getInstance().doManipulate(this); 29 return Action::success; 26 30 } 27 31 28 void ManipulateAtomsProcess::undo(){ 32 Action::state_ptr ManipulateAtomsProcess::performUndo(Action::state_ptr){ 33 ASSERT(0,"Undo called for a ManipulateAtomsProcess"); 34 return Action::success; 35 } 29 36 37 Action::state_ptr ManipulateAtomsProcess::performRedo(Action::state_ptr){ 38 ASSERT(0,"Redo called for a ManipulateAtomsProcess"); 39 return Action::success; 30 40 } 31 41 … … 34 44 } 35 45 46 bool ManipulateAtomsProcess::shouldUndo(){ 47 return true; 48 } 49 36 50 void ManipulateAtomsProcess::doManipulate(World *world){ 37 51 setMaxSteps(world->numAtoms()); 38 52 start(); 39 World::AtomIterator iter; 40 for(iter=world->getAtomIter(descr);iter!=world->atomEnd();++iter){ 53 for(World::AtomIterator iter=world->getAtomIter(descr);iter!=world->atomEnd();++iter){ 41 54 setCurrStep(iter.getCount()); 42 55 operation(*iter);
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