Changeset 3213f2 for src/Actions

Timestamp:

Jan 14, 2015, 9:03:24 PM (10 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:

a84e8d

Parents:

cad383

git-author:

Frederik Heber <heber@…> (12/19/14 16:37:06)

git-committer:

Frederik Heber <heber@…> (01/14/15 21:03:24)

Message:

Added Push/PopAtom selection actions.

• added push-atom to userguide.
• added regression tests to Push/PopAtomsSelection.

Location:

src/Actions

Files:

• GlobalListOfActions.hpp (modified) (1 diff)
• GraphAction/SubgraphDissectionAction.cpp (modified) (5 diffs)
• Makefile.am (modified) (3 diffs)
• SelectionAction/Atoms/PopAtomsAction.cpp (added)
• SelectionAction/Atoms/PopAtomsAction.def (added)
• SelectionAction/Atoms/PopAtomsAction.hpp (added)
• SelectionAction/Atoms/PushAtomsAction.cpp (added)
• SelectionAction/Atoms/PushAtomsAction.def (added)
• SelectionAction/Atoms/PushAtomsAction.hpp (added)

src/Actions/GlobalListOfActions.hpp

@@ -127 +127 @@
   (SelectionNotMoleculeByOrder) \
   (SelectionNotShapeByName) \
+  (SelectionPopAtoms) \
+  (SelectionPushAtoms) \
   (SelectionShapeByName) \
   (ShapeCombineShapes) \

src/Actions/GraphAction/SubgraphDissectionAction.cpp

@@ -42 +42 @@
 #include "Actions/GraphAction/UpdateMoleculesAction.hpp"
 #include "Actions/GraphAction/SubgraphDissectionAction.hpp"
+#include "Actions/SelectionAction/Atoms/PushAtomsAction.hpp"
+#include "Actions/SelectionAction/Atoms/PopAtomsAction.hpp"
+#include "Actions/SelectionAction/Atoms/AllAtomsAction.hpp"
 #include "Actions/ActionQueue.hpp"
 #include "Actions/ActionRegistry.hpp"
@@ -60 +63 @@
 void GraphSubgraphDissectionAction::prepare(ActionRegistry &AR)
 {
+  actions.addAction(AR.getActionByName(std::string("push-atom-selection")));
   actions.addAction(AR.getActionByName(std::string("select-all-atoms")));
   actions.addAction(AR.getActionByName(std::string("destroy-adjacency")));
   actions.addAction(AR.getActionByName(std::string("create-adjacency")));
   actions.addAction(AR.getActionByName(std::string("update-molecules")));
+  actions.addAction(AR.getActionByName(std::string("pop-atom-selection")));
   isPrepared = true;
 }
@@ -74 +79 @@
 }
 
-void reselectAtoms(const std::vector<atom *> &selected_atoms)
-{
-  World::getInstance().clearAtomSelection();
-  for (std::vector<atom *>::const_iterator iter = selected_atoms.begin();
-      iter != selected_atoms.end();
-      ++iter)
-    World::getInstance().selectAtom(*iter);
-}
-
 ActionState::ptr GraphSubgraphDissectionAction::performCall(){
-  // we need to "emulate" that all atoms have been selected without destroying
-  // current selection
-  const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms();
   ActionState::ptr state(MakroAction::performCall());
-  reselectAtoms(selected_atoms);
 
   return state;
@@ -94 +86 @@
 
 ActionState::ptr GraphSubgraphDissectionAction::performUndo(ActionState::ptr _state) {
-  // we need to "emulate" that all atoms have been selected without destroying
-  // current selection
-  const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms();
   ActionState::ptr state(MakroAction::performUndo(_state));
-  reselectAtoms(selected_atoms);
 
   return state;
@@ -104 +92 @@
 
 ActionState::ptr GraphSubgraphDissectionAction::performRedo(ActionState::ptr _state){
-  // we need to "emulate" that all atoms have been selected without destroying
-  // current selection
-  const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms();
   ActionState::ptr state(MakroAction::performRedo(_state));
-  reselectAtoms(selected_atoms);
 
   return state;

src/Actions/Makefile.am

@@ -415 +415 @@
   Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp \
   Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp \
-  Actions/SelectionAction/Atoms/NotAtomByOrderAction.cpp
+  Actions/SelectionAction/Atoms/NotAtomByOrderAction.cpp \
+  Actions/SelectionAction/Atoms/PopAtomsAction.cpp \
+  Actions/SelectionAction/Atoms/PushAtomsAction.cpp
 SELECTIONATOMACTIONHEADER = \
   Actions/SelectionAction/Atoms/AllAtomsAction.hpp \
@@ -430 +432 @@
   Actions/SelectionAction/Atoms/NotAtomByElementAction.hpp \
   Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp \
-  Actions/SelectionAction/Atoms/NotAtomByOrderAction.hpp
+  Actions/SelectionAction/Atoms/NotAtomByOrderAction.hpp \
+  Actions/SelectionAction/Atoms/PopAtomsAction.hpp \
+  Actions/SelectionAction/Atoms/PushAtomsAction.hpp
 SELECTIONATOMACTIONDEFS = \
   Actions/SelectionAction/Atoms/AllAtomsAction.def \
@@ -445 +449 @@
   Actions/SelectionAction/Atoms/NotAtomByElementAction.def \
   Actions/SelectionAction/Atoms/NotAtomByIdAction.def \
-  Actions/SelectionAction/Atoms/NotAtomByOrderAction.def
+  Actions/SelectionAction/Atoms/NotAtomByOrderAction.def \
+  Actions/SelectionAction/Atoms/PopAtomsAction.def \
+  Actions/SelectionAction/Atoms/PushAtomsAction.def
 
 SELECTIONMOLECULEACTIONSOURCE = \