Changeset 1d3563 for src/Actions/FragmentationAction

Timestamp:

Sep 19, 2013, 8:23:52 PM (12 years ago)

Author:

Frederik Heber <heber@…>

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:

690741

Parents:

628577

git-author:

Frederik Heber <heber@…> (08/16/13 11:15:29)

git-committer:

Frederik Heber <heber@…> (09/19/13 20:23:52)

Message:

Main functions of ActionRegistry are now tunneled through ActionQueue.

File:

• src/Actions/FragmentationAction/MolecularDynamicsAction.cpp (modified) (1 diff)

src/Actions/FragmentationAction/MolecularDynamicsAction.cpp

@@ -71 +71 @@
 Action::state_ptr FragmentationMolecularDynamicsAction::performCall(){
   // now we can truely prepare
-  ActionRegistry &AR = ActionQueue::getInstance().getActionRegistry();
+  ActionQueue &AQ = ActionQueue::getInstance();
   // perform a verlet-integration first, if there are already forces or velocities
   // present. If not, we still copy the position cleanly into a new step where then
   // forces are set according to summed fragmentary contributions. This is much cleaner.
-  actions.addAction(AR.getActionByName(std::string("verlet-integration")));
+  actions.addAction(AQ.getActionByName(std::string("verlet-integration")));
   if (params.DoOutput.get())
-    actions.addAction(AR.getActionByName(std::string("output")));
-  actions.addAction(AR.getActionByName(std::string("fragment-molecule")));
-  actions.addAction(AR.getActionByName(std::string("fragment-automation")));
-  actions.addAction(AR.getActionByName(std::string("analyse-fragment-results")));
+    actions.addAction(AQ.getActionByName(std::string("output")));
+  actions.addAction(AQ.getActionByName(std::string("fragment-molecule")));
+  actions.addAction(AQ.getActionByName(std::string("fragment-automation")));
+  actions.addAction(AQ.getActionByName(std::string("analyse-fragment-results")));
   setLoop(params.steps.get());
   isPrepared = true;