Changeset 89643d for src

Timestamp:

Oct 6, 2011, 4:06:10 PM (13 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:

35bf6b

Parents:

b7ff03

git-author:

Frederik Heber <heber@…> (09/02/11 10:12:01)

git-committer:

Frederik Heber <heber@…> (10/06/11 16:06:10)

Message:

Enabled also un selection when clicking already selected atoms.

• introduced ... which allow for just knowing the id (which is all needed):
  • World::isAtomSelected(),
  • World::isMoleculeSelected().

Location:

src

Files:

• UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) (2 diffs)
• World.cpp (modified) (2 diffs)
• World.hpp (modified) (2 diffs)

src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp

@@ -31 +31 @@
 
 #include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
+#include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
 #include "atom.hpp"
 #include "Bond/bond.hpp"
+#include "Descriptors/AtomIdDescriptor.hpp"
 #include "Helpers/helpers.hpp"
 #include "molecule.hpp"
@@ -266 +268 @@
 {
    qDebug("GLWorldScene: atom %d has been clicked.", no);
+   const atom *Walker = World::getInstance().getAtom(AtomById(no));
+   if (!World::getInstance().isSelected(Walker))
    SelectionAtomById(no);
+   else
+     SelectionNotAtomById(no);
    emit clicked(no);
 }

src/World.cpp

@@ -644 +644 @@
 
 bool World::isSelected(const atom *_atom) const {
-  return selectedAtoms.find(_atom->getId()) != selectedAtoms.end();
+  return isAtomSelected(_atom->getId());
+}
+
+bool World::isAtomSelected(const atomId_t no) const {
+  return selectedAtoms.find(no) != selectedAtoms.end();
 }
 
@@ -734 +738 @@
 
 bool World::isSelected(const molecule *_mol) const {
-  return selectedMolecules.find(_mol->getId()) != selectedMolecules.end();
+  return isMoleculeSelected(_mol->getId());
+}
+
+bool World::isMoleculeSelected(const moleculeId_t no) const {
+  return selectedMolecules.find(no) != selectedMolecules.end();
 }
 

src/World.hpp

@@ -333 +333 @@
   size_t countSelectedAtoms() const;
   bool isSelected(const atom *_atom) const;
+  bool isAtomSelected(const atomId_t no) const;
   const std::vector<atom *> getSelectedAtoms() const;
 
@@ -348 +349 @@
   size_t countSelectedMolecules() const;
   bool isSelected(const molecule *_mol) const;
+  bool isMoleculeSelected(const moleculeId_t no) const;
   const std::vector<molecule *> getSelectedMolecules() const;