Changeset fbb1f1 for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp

Timestamp:

Apr 6, 2012, 11:57:22 AM (13 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:

d53902

Parents:

343a4b

git-author:

Michael Ankele <ankele@…> (03/29/12 13:38:37)

git-committer:

Frederik Heber <heber@…> (04/06/12 11:57:22)

Message:

GLMoleculeObject_bond: dynamic bond distance via matrices

File:

• src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified) (3 diffs)

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

@@ -39 +39 @@
 #include "LinearAlgebra/Vector.hpp"
 
-static QGLSceneNode *createBond(QObject *parent, double distance)
+static QGLSceneNode *createBond(QObject *parent)
 {
    QGLBuilder builder;
-   QGLCylinder cylinder(.25,.25,.25);
-   cylinder.setHeight(distance);
+   QGLCylinder cylinder(.25,.25,1.0,16);
    builder << cylinder;
    QGLSceneNode *n = builder.finalizedSceneNode();
@@ -50 +49 @@
 }
 
-GLMoleculeObject_bond::GLMoleculeObject_bond(QObject *parent, const bond *bondref, const double distance, const enum SideOfBond side) :
-  GLMoleculeObject(createBond(parent, distance), parent),
+GLMoleculeObject_bond::GLMoleculeObject_bond(QObject *parent, const bond *bondref, const enum SideOfBond side) :
+  GLMoleculeObject(createBond(parent), parent),
   Observer(std::string("GLMoleculeObject_bond")
       +toString(bondref->leftatom->getId())
@@ -185 +184 @@
       break;
   }
+  const double distance =
+      Position.distance(OtherPosition)/2.;
+  setScaleZ(distance);
 
   // calculate position