Changeset e4b13a for src/UIElements

Timestamp:

Apr 20, 2016, 11:04:54 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:

4112691

Parents:

d48a16

git-author:

Frederik Heber <heber@…> (03/29/16 18:47:16)

git-committer:

Frederik Heber <heber@…> (04/20/16 23:04:54)

Message:

getObserved...() checks whether id is still present.

File:

• src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.cpp (modified) (3 diffs)

src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.cpp

@@ -323 +323 @@
 QtObservedAtom::ptr QtObservedInstanceBoard::getObservedAtom(const atomId_t _id)
 {
-  return atomObservedValues.get(atomids_lookup.left.at(_id));
+  typename IdtoIndex_t<atomId_t>::left_iterator iter = atomids_lookup.left.find(_id);
+  if (iter == atomids_lookup.left.end())
+    return QtObservedAtom::ptr();
+  else
+    return atomObservedValues.get(iter->second);
 }
 
@@ -333 +337 @@
 QtObservedBond::ptr QtObservedInstanceBoard::getObservedBond(const bondId_t _id)
 {
-  return bondObservedValues.get(bondids_lookup.left.at(_id));
+  typename IdtoIndex_t<bondId_t>::left_iterator iter = bondids_lookup.left.find(_id);
+  if (iter == bondids_lookup.left.end())
+    return QtObservedBond::ptr();
+  else
+    return bondObservedValues.get(iter->second);
 }
 
@@ -343 +351 @@
 QtObservedMolecule::ptr QtObservedInstanceBoard::getObservedMolecule(const moleculeId_t _id)
 {
-  return moleculeObservedValues.get(moleculeids_lookup.left.at(_id));
+  typename IdtoIndex_t<moleculeId_t>::left_iterator iter = moleculeids_lookup.left.find(_id);
+  if (iter == moleculeids_lookup.left.end())
+    return QtObservedMolecule::ptr();
+  else
+    return moleculeObservedValues.get(iter->second);
 }