Changeset 8a77ac for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp

Timestamp:

Apr 6, 2012, 11:57:21 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:

343a4b

Parents:

69643a

git-author:

Michael Ankele <ankele@…> (03/29/12 11:35:47)

git-committer:

Frederik Heber <heber@…> (04/06/12 11:57:21)

Message:

GL: track atoms changing position

• handles World::AtomPositionChanged
• selectionMaterial

File:

• src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp (modified) (6 diffs)

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

@@ -53 +53 @@
    m_objectId = -1;
    m_hovering = false;
+   m_selected = false;
    m_material = 0;
    m_hoverMaterial = 0;
@@ -69 +70 @@
    m_objectId = -1;
    m_hovering = false;
+   m_selected = false;
    m_material = 0;
    m_hoverMaterial = 0;
@@ -100 +102 @@
    if (m_hovering)
        material = m_hoverMaterial;
+   else if (m_selected)
+       material = m_selectionMaterial;
    else
        material = m_material;
@@ -119 +123 @@
    else
        m_mesh->draw(painter);
+
+   QVector3DArray array;
+   qreal radius = 0.3f;
+   array.append(-radius, -radius, -radius); array.append( radius, -radius, -radius);
+   array.append( radius, -radius, -radius); array.append( radius,  radius, -radius);
+   array.append( radius,  radius, -radius); array.append(-radius,  radius, -radius);
+   array.append(-radius,  radius, -radius); array.append(-radius, -radius, -radius);
+
+   array.append(-radius, -radius,  radius); array.append( radius, -radius,  radius);
+   array.append( radius, -radius,  radius); array.append( radius,  radius,  radius);
+   array.append( radius,  radius,  radius); array.append(-radius,  radius,  radius);
+   array.append(-radius,  radius,  radius); array.append(-radius, -radius,  radius);
+
+   array.append(-radius, -radius, -radius); array.append(-radius, -radius,  radius);
+   array.append( radius, -radius, -radius); array.append( radius, -radius,  radius);
+   array.append(-radius,  radius, -radius); array.append(-radius,  radius,  radius);
+   array.append( radius,  radius, -radius); array.append( radius,  radius,  radius);
+   painter->clearAttributes();
+   painter->setVertexAttribute(QGL::Position, array);
+   painter->draw(QGL::Lines, 24);
 
    // Turn off the user effect, if present.
@@ -166 +190 @@
 QGLMaterial* GLMoleculeObject::getMaterial(size_t no)
 {
-  ASSERT( (no >= 0) && (no < MAX_ELEMENTS),
+  ASSERT( (no >= 0) && (no < MAX_ELEMENTS) || (no == 65536),
       "GLMoleculeView::getMaterial() - Element no "+toString(no)+" is invalid.");
   if (ElementNoMaterialMap.find(no) != ElementNoMaterialMap.end()){
@@ -178 +202 @@
     if (no == 0) { // create hover material
       newmaterial->setAmbientColor( QColor(0, 128, 128) );
+    } else if (no == 65536) { // create selection material
+      newmaterial->setAmbientColor( QColor(200, 200, 200) );
     } else { // create material for element
       periodentafel *periode = World::getInstance().getPeriode();