Changeset 4b62d3

Timestamp:

Apr 17, 2013, 6:56:54 PM (12 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:

378fc6b

Parents:

2d5137

git-author:

Frederik Heber <heber@…> (03/19/13 11:04:06)

git-committer:

Frederik Heber <heber@…> (04/17/13 18:56:54)

Message:

GLMoleculeObject_bond sets width of cylinder according to BondDegree.

Location:

src/UIElements/Views/Qt4/Qt3D

Files:

• GLMoleculeObject_bond.cpp (modified) (6 diffs)
• GLMoleculeObject_bond.hpp (modified) (1 diff)

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

@@ -69 +69 @@
   // sign on as observer (obtain non-const instance before)
   _bond.signOn(this, BondObservable::BondRemoved);
+  _bond.signOn(this, BondObservable::DegreeChanged);
   leftatom->signOn(this, AtomObservable::PositionChanged);
   leftatom->signOn(this, AtomObservable::ElementChanged);
@@ -101 +102 @@
 
   resetPosition();
+  resetWidth();
 }
 
@@ -120 +122 @@
   }
   _bond.signOff(this, BondObservable::BondRemoved);
+  _bond.signOff(this, BondObservable::DegreeChanged);
   leftatom->signOff(this, AtomObservable::PositionChanged);
   leftatom->signOff(this, AtomObservable::ElementChanged);
@@ -176 +179 @@
         << " received notification from unknown source.";
 #endif
+  bool DoResetPosition = false;
+  bool DoResetWidth = false;
   if (publisher == static_cast<const Observable *>(&_bond)){
     switch (notification->getChannelNo()) {
@@ -181 +186 @@
       delete this;
       break;
+    case BondObservable::DegreeChanged:
+      DoResetWidth = true;
+      break;
+    default:
+      ASSERT(0, "GLMoleculeObject_bond::recieveNotification() - unknown signal.");
+      break;
     }
   } else {
-    bool DoResetPosition = false;
     // from an atom
     switch (notification->getChannelNo()) {
@@ -197 +207 @@
       break;
     }
-    if (DoResetPosition) {
-        resetPosition();
-        emit changed();
-    }
-  }
+  }
+  if (DoResetPosition) {
+    resetPosition();
+    emit changed();
+  }
+  if (DoResetWidth) {
+    resetWidth();
+    emit changed();
+  }
+}
+
+void GLMoleculeObject_bond::resetWidth()
+{
+  const double factor = 1.0f+.5f*(_bond.getDegree()-1);
+  LOG(2, "DEBUG: GLMoleculeObject_bond::resetWidth() - setting bond's width to " << factor << ".");
+  setScaleX(factor);
+  setScaleY(factor);
 }
 

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

@@ -41 +41 @@
 
 private:
+  /** Recalculates the position of the cylinder representing the bond.
+   *
+   */
   void resetPosition();
+
+  /** Recalculates the width of the cylinder representing the bond's degree.
+   *
+   */
+  void resetWidth();
+
   const bond& _bond;
   /** Observable instance inside atom_observable for left bond partner.