Changeset cad383 for src/World.hpp

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:

3213f2

Parents:

2440ce

git-author:

Frederik Heber <heber@…> (12/14/14 19:32:31)

git-committer:

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

Message:

Added push/pop[Atoms|Molecules]Selection to World.

• this is mostly convenience for MakroActions to use selections and still keep the selection from the user.

File:

• src/World.hpp (modified) (5 diffs)

src/World.hpp

@@ -20 +20 @@
 #include <vector>
 #include <set>
+#include <stack>
 #include <boost/thread.hpp>
 #include <boost/shared_ptr.hpp>
@@ -373 +374 @@
   void clearAtomSelection();
   void invertAtomSelection();
+  void popAtomSelection();
+  void pushAtomSelection();
   void selectAtom(const atom*);
   void selectAtom(const atomId_t);
@@ -390 +393 @@
   void clearMoleculeSelection();
   void invertMoleculeSelection();
+  void popMoleculeSelection();
+  void pushMoleculeSelection();
   void selectMolecule(const molecule*);
   void selectMolecule(const moleculeId_t);
@@ -486 +491 @@
   AtomSet atoms;
   AtomSet selectedAtoms;
+  std::stack<AtomSet> selectedAtoms_Stack;
   /**
    * stores the pool for all available AtomIds below currAtomId
@@ -495 +501 @@
   MoleculeSet molecules;
   MoleculeSet selectedMolecules;
+  std::stack<MoleculeSet> selectedMolecules_Stack;
   /**
    * stores the pool for all available AtomIds below currAtomId