Changeset 5b61e5 for src/UIElements/Views

Timestamp:

Aug 5, 2015, 5:32:11 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:

25a81d

Parents:

07b800

git-author:

Frederik Heber <heber@…> (07/19/15 13:25:40)

git-committer:

Frederik Heber <heber@…> (08/05/15 17:32:11)

Message:

GLMoleculeObject_molecule also has ObservedValue for name.

• this removes any (uncached) molecule::getName() from Qt code part.

Location:

src/UIElements/Views/Qt4/Qt3D

Files:

• GLMoleculeObject_molecule.cpp (modified) (8 diffs)
• GLMoleculeObject_molecule.hpp (modified) (4 diffs)

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

@@ -87 +87 @@
 const Observable::channels_t GLMoleculeObject_molecule::BoundingBoxChannels(getAllAtomicChangesChannels());
 const Observable::channels_t GLMoleculeObject_molecule::IndexChannels(1, molecule::IndexChanged);
+const Observable::channels_t GLMoleculeObject_molecule::NameChannels(1, molecule::MoleculeNameChanged);
 
 static QGLSceneNode *createMoleculeMesh(const QGeometryData &_geo)
@@ -108 +109 @@
   MolIndexUpdater(
       boost::bind(&GLMoleculeObject_molecule::updateIndex, this)
+      ),
+  MolNameUpdater(
+      boost::bind(&GLMoleculeObject_molecule::updateName, this)
       ),
   TesselationHullUpdater(
@@ -124 +128 @@
       _molid,
       IndexChannels),
+  MolName(
+      molref,
+      MolNameUpdater,
+      "MoleculeName_"+toString(_molid),
+      updateName(),
+      NameChannels),
   TesselationHull(
       molref,
@@ -177 +187 @@
       boost::bind(&GLMoleculeObject_molecule::updateIndex, this)
       ),
+  MolNameUpdater(
+      boost::bind(&GLMoleculeObject_molecule::updateName, this)
+      ),
   TesselationHullUpdater(
       boost::bind(&GLMoleculeObject_molecule::updateTesselationHull, this)
@@ -192 +205 @@
       _molid,
       IndexChannels),
+  MolName(
+      molref,
+      MolNameUpdater,
+      "MoleculeName_"+toString(_molid),
+      updateName(),
+      NameChannels),
   TesselationHull(
       molref,
@@ -332 +351 @@
     // Tesselate the points.
     Tesselation T;
-    PointCloudAdaptor<molecule> cloud(const_cast<molecule *>(molref), molref->getName());
+    PointCloudAdaptor<molecule> cloud(const_cast<molecule *>(molref), MolName.get());
     T(cloud, minradius);
 
@@ -411 +430 @@
 }
 
+std::string GLMoleculeObject_molecule::updateName() const
+{
+  const molecule * const mol = getMolecule(MolIndex.get());
+  return mol->getName();
+}
+
 void GLMoleculeObject_molecule::resetTesselationHull()
 {
@@ -458 +483 @@
 
   emit indexChanged(this, oldId, newId);
+}
+
+void GLMoleculeObject_molecule::resetName()
+{
 }
 

src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp

@@ -89 +89 @@
   void resetAtoms();
   void resetIndex();
+  void resetName();
 
   void AtomSelected(const atomId_t _id);
@@ -128 +129 @@
   atoms_t updateAtoms();
   moleculeId_t updateIndex() const;
+  std::string updateName() const;
 
   //!> the Observable we are signed on, also indicates whether we are sign on (not NULL)
@@ -143 +145 @@
   //!> list of channels when the index needs to update
   static const Observable::channels_t IndexChannels;
+  //!> list of channels when the name needs to update
+  static const Observable::channels_t NameChannels;
 
   boost::function<moleculeId_t ()> MolIndexUpdater;
+  boost::function<std::string ()> MolNameUpdater;
   boost::function<QGeometryData ()> TesselationHullUpdater;
   boost::function<BoundingBoxInfo ()> BoundingBoxUpdater;
@@ -151 +156 @@
   //!> contains the current molecule index
   ObservedValue<moleculeId_t> MolIndex;
+  //!> contains the current molecule name
+  ObservedValue<std::string> MolName;
   //!> contains current version of the tesselation hull on request
   Cacheable<QGeometryData> TesselationHull;