Changeset fbb1f1 for src/UIElements

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

Location:

src/UIElements/Views/Qt4/Qt3D

Files:

• GLMoleculeObject.cpp (modified) (3 diffs)
• GLMoleculeObject.hpp (modified) (2 diffs)
• GLMoleculeObject_bond.cpp (modified) (3 diffs)
• GLMoleculeObject_bond.hpp (modified) (1 diff)
• GLWorldScene.cpp (modified) (2 diffs)

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

@@ -49 +49 @@
    m_GLMoleculeObject = GLMoleculeObject;
    m_scale = 1.0f;
+   m_scaleZ = 1.0f;
    m_rotationAngle = 0.0f;
    m_effect = 0;
@@ -66 +67 @@
    m_GLMoleculeObject = scene->mainNode();
    m_scale = 1.0f;
+   m_scaleZ = 1.0f;
    m_rotationAngle = 0.0f;
    m_effect = 0;
@@ -97 +99 @@
    if (m_rotationAngle != 0.0f)
        painter->modelViewMatrix().rotate(m_rotationAngle, m_rotationVector);
+   if (m_scaleZ != 1.0f)
+       painter->modelViewMatrix().scale(1.0f, 1.0f, m_scaleZ);
 
    // Apply the material and effect to the painter.

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

@@ -46 +46 @@
    qreal scale() const { return m_scale; }
    void setScale(qreal value) { m_scale = value; }
+
+   qreal scaleZ() const { return m_scaleZ; }
+   void setScaleZ(qreal value) { m_scaleZ = value; }
 
    qreal rotationAngle() const { return m_rotationAngle; }
@@ -95 +98 @@
    QVector3D m_position;
    qreal m_scale;
+   qreal m_scaleZ;
    qreal m_rotationAngle;
    QVector3D m_rotationVector;

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

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

@@ -28 +28 @@
   enum SideOfBond { left, right };
 
-  GLMoleculeObject_bond(QObject *parent, const bond *bondref, const double distance, const enum SideOfBond side);
+  GLMoleculeObject_bond(QObject *parent, const bond *bondref, const enum SideOfBond side);
   virtual ~GLMoleculeObject_bond();
 

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

@@ -143 +143 @@
   LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
   //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
-  const double distance =
-      _bond->leftatom->getPosition().distance(_bond->rightatom->getPosition())/2.;
 
   BondIds ids;
@@ -161 +159 @@
 #endif
   GLMoleculeObject_bond *bondObject =
-      new GLMoleculeObject_bond(this, _bond, distance, side);
+      new GLMoleculeObject_bond(this, _bond, side);
   connect (
       bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),