Changeset 10aee4 for src/Actions/MoleculeAction

Timestamp:

Aug 5, 2015, 7:12:24 AM (9 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:

c307ba

Parents:

94232b

git-author:

Frederik Heber <heber@…> (08/03/15 09:25:02)

git-committer:

Frederik Heber <heber@…> (08/05/15 07:12:24)

Message:

Cleaned up ActionQueue's interface: Actions are always cloned.

• Action's dstor needs to be public as we have a clone() function.
• ActionRegistrys' (and AQ's) getActionByName now returns const ref. We must not return a ptr as it may not get deleted elsewhere. We are handing out prototypes.
• queueAction(action*,...) is private to prevent leakage, queueAction(string, ...) is the public interface.
• some other small functions are now private, too.
• MakroActions now need to clone() the prototype on prepare() and delete them on unprepare().
• ActionSequence deletes contained actions.
• FIX: ActionSequenceUnitTest cannot check on not-called property of removed actions anymore as these are gone now (they are deleted on removal and they are cloned on insertion).
• DOCU: Updated documentation on Actions.

File:

• src/Actions/MoleculeAction/TranslateAction.cpp (modified) (2 diffs)

src/Actions/MoleculeAction/TranslateAction.cpp

@@ -63 +63 @@
   // we simply have to select all the molecule's atoms and use the respective
   // translate Action
-  prototype_actions.addAction(AR.getActionByName(std::string("push-atom-selection")));
-  prototype_actions.addAction(AR.getActionByName(std::string("select-molecules-atoms")));
-  prototype_actions.addAction(AR.getActionByName(std::string("translate-atoms")));
-  prototype_actions.addAction(AR.getActionByName(std::string("pop-atom-selection")));
+  prototype_actions.addAction(AR.getActionByName(std::string("push-atom-selection")).clone());
+  prototype_actions.addAction(AR.getActionByName(std::string("select-molecules-atoms")).clone());
+  prototype_actions.addAction(AR.getActionByName(std::string("translate-atoms")).clone());
+  prototype_actions.addAction(AR.getActionByName(std::string("pop-atom-selection")).clone());
   isPrepared = true;
 }
@@ -73 +73 @@
 {
   // empty sequence
-  while (prototype_actions.removeLastAction() != NULL);
+  Action *actionremove = NULL;
+  while ((actionremove = prototype_actions.removeLastAction()) != NULL)
+    delete actionremove;
   isPrepared = false;
 }