Changeset 7f185f9 for src/UIElements/Qt4/InstanceBoard/QtObservedBond.cpp

Timestamp:

Apr 20, 2016, 11:07:47 PM (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:

273c8a

Parents:

f1b5ca

git-author:

Frederik Heber <heber@…> (04/12/16 11:19:05)

git-committer:

Frederik Heber <heber@…> (04/20/16 23:07:47)

Message:

QtObservedBond also offers direct access to stored QtObservedAtoms as const refs.

• leftatom and rightatom are const throughout the lifetime of the bond. Hence, there is no need to update them and we simply store the refs directly. This will be different for the atom, where the molecule ref may change over the lifetime!

File:

• src/UIElements/Qt4/InstanceBoard/QtObservedBond.cpp (modified) (4 diffs)

src/UIElements/Qt4/InstanceBoard/QtObservedBond.cpp

@@ -114 +114 @@
   leftatom(_leftatom),
   rightatom(_rightatom),
-  oldleftatomId(_id.first),
-  oldrightatomId(_id.second),
-  oldmoleculeId(getMolecule(_bond)->getId()),
   board(_board),
   BoardIsGone(false),
@@ -281 +278 @@
   // pass thru to signals from both atoms
   connect( leftatom.get(), SIGNAL(indexChanged(const atomId_t, const atomId_t)),
-      this, SLOT(leftAtomIndexChanges(atomId_t, atomId_t)));
+      this, SIGNAL(leftAtomIndexChanged(atomId_t, atomId_t)));
   connect( leftatom.get(), SIGNAL(elementChanged()), this, SIGNAL(leftAtomElementChanged()));
   connect( leftatom.get(), SIGNAL(positionChanged()), this, SIGNAL(leftAtomPositionChanged()));
-  connect( leftatom.get(), SIGNAL(moleculeChanged()), this, SLOT(moleculeIndexChanges(moleculeId_t, moleculeId_t)));
+  connect( leftatom.get(), SIGNAL(moleculeChanged()), this, SIGNAL(leftmoleculeChanged()));
   connect( rightatom.get(), SIGNAL(indexChanged(const atomId_t, const atomId_t)),
-      this, SLOT(rightAtomIndexChanges(atomId_t, atomId_t)));
+      this, SIGNAL(rightAtomIndexChanged(atomId_t, atomId_t)));
   connect( rightatom.get(), SIGNAL(elementChanged()), this, SIGNAL(rightAtomElementChanged()));
   connect( rightatom.get(), SIGNAL(positionChanged()), this, SIGNAL(rightAtomPositionChanged()));
-}
-
-void QtObservedBond::leftAtomIndexChanges(atomId_t, atomId_t)
-{
-  const atomId_t newid = getLeftAtomIndex();
-  emit leftAtomIndexChanged(oldleftatomId, newid);
-  oldleftatomId = newid;
-}
-
-void QtObservedBond::rightAtomIndexChanges(atomId_t, atomId_t)
-{
-  const atomId_t newid = getRightAtomIndex();
-  emit rightAtomIndexChanged(oldrightatomId, newid);
-  oldrightatomId = newid;
-}
-
-void QtObservedBond::moleculeIndexChanges(moleculeId_t, moleculeId_t)
-{
-  const moleculeId_t newid = getMoleculeIndex();
-  emit moleculeIndexChanged(oldmoleculeId, newid);
-  oldmoleculeId = newid;
+  connect( rightatom.get(), SIGNAL(moleculeChanged()), this, SIGNAL(rightmoleculeChanged()));
 }
 
@@ -409 +386 @@
 }
 
+const moleculeId_t QtObservedBond::getLeftMoleculeIndex() const
+{
+  return leftatom->getMoleculeIndex();
+}
+
 const atomId_t& QtObservedBond::getRightAtomIndex() const
 {
@@ -424 +406 @@
 }
 
-const moleculeId_t QtObservedBond::getMoleculeIndex() const
-{
-  const moleculeId_t leftmolid = leftatom->getMoleculeIndex();
-  const moleculeId_t rightmolid = rightatom->getMoleculeIndex();
-  ASSERT( leftmolid == rightmolid,
-      "QtObservedBond::getMoleculeIndex() - left and right atom belong to different molecules, "
-      +toString(leftmolid)+" vs. "+toString(rightmolid));
-  return leftmolid;
-}
+const moleculeId_t QtObservedBond::getRightMoleculeIndex() const
+{
+  return rightatom->getMoleculeIndex();
+}