Changeset 5cb3cb for src/Actions/AtomAction

Timestamp:

Jul 22, 2010, 7:56:02 PM (14 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:

bb2b2c

Parents:

454065

Message:

converted RemoveAction to new createDialog() and uses selectedAtoms.

Location:

src/Actions/AtomAction

Files:

• RemoveAction.cpp (modified) (2 diffs)
• RemoveAction.hpp (modified) (1 diff)

src/Actions/AtomAction/RemoveAction.cpp

@@ -23 +23 @@
 #include "UIElements/UIFactory.hpp"
 #include "UIElements/Dialog.hpp"
-#include "Actions/MapOfActions.hpp"
+#include "UIElements/ValueStorage.hpp"
 
 const char AtomRemoveAction::NAME[] = "remove-atom";
@@ -34 +34 @@
 {}
 
+Dialog* AtomRemoveAction::createDialog() {
+  Dialog *dialog = UIFactory::getInstance().makeDialog();
+
+  dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME));
+
+  return dialog;
+}
+
 Action::state_ptr AtomRemoveAction::performCall() {
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
   atom *first = NULL;
 
-  dialog->queryAtom(NAME, &first, MapOfActions::getInstance().getDescription(NAME));
-
-  if(dialog->display()) {
-    delete dialog;
+  std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
+  for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
+    first = iter->second;
     DoLog(1) && (Log() << Verbose(1) << "Removing atom " << first->getId() << "." << endl);
     // TODO: this is not necessary when atoms and their storing to file are handled by the World
     // simply try to erase in every molecule found
-    std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
     for (std::vector<molecule *>::iterator iter = molecules.begin();iter != molecules.end(); ++iter) {
       (*iter)->erase(first);
     }
     World::getInstance().destroyAtom(first);
-    return Action::success;
-  } else {
-    delete dialog;
-    return Action::failure;
   }
-
+  return Action::success;
 }
 

src/Actions/AtomAction/RemoveAction.hpp

@@ -21 +21 @@
   virtual const std::string getName();
 private:
+  virtual Dialog * createDialog();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);