Changeset 1a58ce for src/UIElements/Qt4/InstanceBoard

Timestamp:

Apr 20, 2016, 7:17:43 AM (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:

3054f4a

Parents:

59eabc

git-author:

Frederik Heber <heber@…> (03/21/16 21:42:14)

git-committer:

Frederik Heber <heber@…> (04/20/16 07:17:43)

Message:

Added convenience function to return current id for given index.

• this is mainly for printing in asserts and logs.
• required to convert IdtoIndex to bimap.
• ...Observed wire through getIdtoIndex() function.

Location:

src/UIElements/Qt4/InstanceBoard

Files:

• QtObservedInstanceBoard.cpp (modified) (7 diffs)
• QtObservedInstanceBoard.hpp (modified) (3 diffs)

src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.cpp

@@ -144 +144 @@
           const ObservedValue_Index_t index = static_cast<const Observable *>(_molecule);
           moleculeObservedValues.insert(index, observedmolecule);
-          moleculeids_lookup.insert( std::make_pair(_id, index) );
+          moleculeids_lookup.left.insert( std::make_pair(_id, index) );
           // we need to check for index changes
           LOG(3, "DEBUG: InformationBoard signOn()s to molecule " << _id);
@@ -172 +172 @@
           const ObservedValue_Index_t index = static_cast<const Observable *>(_atom);
           atomObservedValues.insert(index, observedatom);
-          atomids_lookup.insert( std::make_pair(_id, index) );
+          atomids_lookup.left.insert( std::make_pair(_id, index) );
           // we need to check for index changes
           LOG(3, "DEBUG: InformationBoard signOn()s to atom " << _id);
@@ -196 +196 @@
         LOG(3, "DEBUG: InformationBoard got IndexChanged from molecule " << molid << " to " << newmoleculeId);
         {
-          typename IdtoIndex_t<moleculeId_t>::iterator iter = moleculeids_lookup.find(molid);
-          ASSERT( iter != moleculeids_lookup.end(),
+          typename IdtoIndex_t<moleculeId_t>::left_iterator iter = moleculeids_lookup.left.find(molid);
+          ASSERT( iter != moleculeids_lookup.left.end(),
               "QtObservedInstanceBoard::recieveNotification() - mol id "
               +toString(molid)+" unknown to lookup.");
           const ObservedValue_Index_t index = iter->second;
-          moleculeids_lookup.erase(iter);
-          moleculeids_lookup.insert( std::pair<moleculeId_t, ObservedValue_Index_t>(newmoleculeId, index) );
+          moleculeids_lookup.left.erase(iter);
+          moleculeids_lookup.left.insert( std::pair<moleculeId_t, ObservedValue_Index_t>(newmoleculeId, index) );
         }
         // no need update SignedOn, ref does not change
@@ -220 +220 @@
         LOG(3, "DEBUG: InformationBoard got IndexChanged from atom " << oldatomId << " to " << newatomId);
         {
-          typename IdtoIndex_t<atomId_t>::iterator iter = atomids_lookup.find(oldatomId);
-          ASSERT( iter != atomids_lookup.end(),
+          typename IdtoIndex_t<atomId_t>::left_iterator iter = atomids_lookup.left.find(oldatomId);
+          ASSERT( iter != atomids_lookup.left.end(),
               "QtObservedInstanceBoard::recieveNotification() - atom id "
               +toString(oldatomId)+" unknown to lookup.");
           const ObservedValue_Index_t index = iter->second;
-          atomids_lookup.erase(iter);
-          atomids_lookup.insert( std::pair<atomId_t, ObservedValue_Index_t>(newatomId, index) );
+          atomids_lookup.left.erase(iter);
+          atomids_lookup.left.insert( std::pair<atomId_t, ObservedValue_Index_t>(newatomId, index) );
         }
         // no need update SignedOn, ref does not change
@@ -253 +253 @@
 }
 
+const atomId_t QtObservedInstanceBoard::getAtomIdToIndex(ObservedValue_Index_t _id) const
+{
+  typename IdtoIndex_t<atomId_t>::right_const_iterator iter = atomids_lookup.right.find(_id);
+  ASSERT( iter != atomids_lookup.right.end(),
+      "QtObservedInstanceBoard::getAtomIdToIndex() - index "
+      +toString(_id)+" is unknown.");
+  return iter->second;
+}
+
+const moleculeId_t QtObservedInstanceBoard::getMoleculeIdToIndex(ObservedValue_Index_t _id) const
+{
+  typename IdtoIndex_t<moleculeId_t>::right_const_iterator iter = moleculeids_lookup.right.find(_id);
+  ASSERT( iter != moleculeids_lookup.right.end(),
+      "QtObservedInstanceBoard::getMoleculeIdToIndex() - index "
+      +toString(_id)+" is unknown.");
+  return iter->second;
+}
+
 QtObservedAtom::ptr QtObservedInstanceBoard::getObservedAtom(const atomId_t _id)
 {
-  return atomObservedValues.get(atomids_lookup[_id]);
+  return atomObservedValues.get(atomids_lookup.left.at(_id));
 }
 
 QtObservedMolecule::ptr QtObservedInstanceBoard::getObservedMolecule(const moleculeId_t _id)
 {
-  return moleculeObservedValues.get(moleculeids_lookup[_id]);
+  return moleculeObservedValues.get(moleculeids_lookup.left.at(_id));
 }
 
@@ -276 +294 @@
 {
   atomObservedValues.eraseObservedValues(_id);
+  atomids_lookup.right.erase(_id);
 }
 
@@ -291 +310 @@
 {
   moleculeObservedValues.eraseObservedValues(_id);
-}
+  moleculeids_lookup.right.erase(_id);
+}

src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp

@@ -21 +21 @@
 
 #include <map>
+#include <boost/bimap.hpp>
 #include <boost/function.hpp>
 
@@ -79 +80 @@
   void recieveNotification(Observable *publisher, Notification_ptr notification);
 
+  const atomId_t getAtomIdToIndex(ObservedValue_Index_t _id) const;
+  const moleculeId_t getMoleculeIdToIndex(ObservedValue_Index_t _id) const;
+
   QtObservedAtom::ptr getObservedAtom(const atomId_t _id);
   QtObservedMolecule::ptr getObservedMolecule(const moleculeId_t _id);
@@ -113 +117 @@
   //!> "templated typedef" for an id to index map.
   template <class id>
-  struct IdtoIndex_t : std::map<id, ObservedValue_Index_t> {};
+  struct IdtoIndex_t : boost::bimap<id, ObservedValue_Index_t> {};
   IdtoIndex_t<atomId_t> atomids_lookup;
   IdtoIndex_t<moleculeId_t> moleculeids_lookup;