Changeset 739ee9

Timestamp:

Jan 10, 2015, 5:14:32 PM (10 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:

34e7fdb

Parents:

8c001a

git-author:

Frederik Heber <heber@…> (11/05/14 22:00:40)

git-committer:

Frederik Heber <heber@…> (01/10/15 17:14:32)

Message:

GLMoleculeObject have m_visible, settable in QtMoleculeList.

• is connected via QtMainWindow an GLWorldView, GLWorldScene.
• i.e. molecule's atoms and bond display can now be switched on and off.

Location:

src/UIElements

Files:

• Qt4/QtMainWindow.cpp (modified) (1 diff)
• Views/Qt4/Qt3D/GLMoleculeObject.cpp (modified) (2 diffs)
• Views/Qt4/Qt3D/GLMoleculeObject.hpp (modified) (2 diffs)
• Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) (2 diffs)
• Views/Qt4/Qt3D/GLWorldScene.cpp (modified) (1 diff)
• Views/Qt4/Qt3D/GLWorldScene.hpp (modified) (1 diff)
• Views/Qt4/Qt3D/GLWorldView.cpp (modified) (1 diff)
• Views/Qt4/Qt3D/GLWorldView.hpp (modified) (1 diff)
• Views/Qt4/QtMoleculeList.cpp (modified) (6 diffs)
• Views/Qt4/QtMoleculeList.hpp (modified) (3 diffs)

src/UIElements/Qt4/QtMainWindow.cpp

@@ -146 +146 @@
   settings.endGroup();
 
+  qRegisterMetaType<moleculeId_t>("moleculeId_t");
+
   connect(glWorldView,SIGNAL(hoverChanged(const atom*)), infoBox,SLOT(atomHover(const atom*)));
+  connect(moleculeList,SIGNAL(moleculesVisibilityChanged(const moleculeId_t,bool)), glWorldView, SIGNAL(moleculesVisibilityChanged(const moleculeId_t,bool)));
 }
 

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

@@ -82 +82 @@
    m_hovering = false;
    m_selected = false;
+   m_visible = true;
    m_material = 0;
    initStaticMaterials();
@@ -328 +329 @@
   }
 }
+
+void GLMoleculeObject::setVisible(bool value)
+{
+  if (value != m_visible){
+    m_visible = value;
+    emit changed();
+  }
+}

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

@@ -74 +74 @@
    void setSelected(bool value);
 
+   bool visible() const { return m_visible; }
+   void setVisible(bool value);
+
    void initStaticMaterials();
    virtual void initialize(QGLView *view, QGLPainter *painter);
@@ -124 +127 @@
    bool m_hovering;
    bool m_selected;
+   bool m_visible;
 };
 

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

@@ -74 +74 @@
   World::getInstance().signOn(this, World::SelectionChanged);
   updateBoundingBox();
+
+  // initially, atoms and bonds should be visible
+  m_visible = false;
 
   init();
@@ -256 +259 @@
 void GLMoleculeObject_molecule::draw(QGLPainter *painter, const QVector4D &cameraPlane)
 {
-   // Draw all of the mesh objects that we have as children.
-  GLMoleculeObject::draw(painter, cameraPlane);
-   foreach (QObject *obj, children()) {
-     GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
-       if (meshobj)
-         meshobj->draw(painter, cameraPlane);
-   }
+  // draw either molecule's mesh or all atoms and bonds
+  if (m_visible) {
+    GLMoleculeObject::draw(painter, cameraPlane);
+  } else {
+    // Draw all of the mesh objects that we have as children.
+    foreach (QObject *obj, children()) {
+      GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
+      if (meshobj)
+        meshobj->draw(painter, cameraPlane);
+    }
+  }
 }
 

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

@@ -286 +286 @@
 }
 
+void GLWorldScene::moleculesVisibilityChanged(const moleculeId_t _id, bool _visible)
+{
+  MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
+  ASSERT( iter != MoleculesinSceneMap.end(),
+      "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" is unknown.");
+
+  GLMoleculeObject_molecule *molObject = iter->second;
+  molObject->setVisible(_visible);
+
+  emit changed();
+  emit changeOccured();
+}
+
 /** Adds a bond to the scene.
  *

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

@@ -92 +92 @@
   void removeShape();
   void update();
+  void moleculesVisibilityChanged(const moleculeId_t _id, bool _visible);
 
 public:

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

@@ -92 +92 @@
   //connect(this, SIGNAL(changed()), this, SLOT(updateGL()));
   connect(this, SIGNAL(changed()), this, SLOT(sceneChangeSignalled()));
+  connect(this, SIGNAL(moleculesVisibilityChanged(const moleculeId_t,bool)), worldscene, SLOT(moleculesVisibilityChanged(const moleculeId_t,bool)));
 
   // sign on to changes in the world

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

@@ -64 +64 @@
   void ShapeAdded();
   void ShapeRemoved();
+  void moleculesVisibilityChanged(const moleculeId_t,bool);
 
 protected:

src/UIElements/Views/Qt4/QtMoleculeList.cpp

@@ -55 +55 @@
 // these attributes are skipped so far
 const int QtMoleculeList::COLUMNCOUNT = COLUMNTYPES_MAX;
-const char *QtMoleculeList::COLUMNNAMES[QtMoleculeList::COLUMNCOUNT]={"Name","Atoms","Formula","Occurrence"/*,"Size"*/};
+const char *QtMoleculeList::COLUMNNAMES[QtMoleculeList::COLUMNCOUNT]={"Name","Visibility", "Atoms","Formula","Occurrence"/*,"Size"*/};
 
 QtMoleculeList::QtMoleculeList(QWidget * _parent) :
@@ -81 +81 @@
   //connect(this,SIGNAL(cellChanged(int,int)),this,SLOT(moleculeChanged(int,int)));
   connect(selectionModel(),SIGNAL(selectionChanged(QItemSelection, QItemSelection)),this,SLOT(rowsSelected(QItemSelection, QItemSelection)));
-
+  connect(this, SIGNAL(itemChanged(QTreeWidgetItem*, int)), this, SLOT(visibilityChanged(QTreeWidgetItem*, int)));
 }
 
@@ -128 +128 @@
       formula.push_back((*iter)->getFormula());
       groupItem = new QTreeWidgetItem(this);
-      groupItem->setText(0, QString("default"));
-      groupItem->setText(1, QString::number(0));
-      groupItem->setText(2, QString(""));
-      groupItem->setText(3, "0");
+      groupItem->setText(NAME, QString("default"));
+//      groupItem->setFlags(groupItem->flags() | Qt::ItemIsUserCheckable);
+//      groupItem->setCheckState(VISIBILITY, Qt::Checked);
+      groupItem->setText(ATOMCOUNT, QString::number(0));
+      groupItem->setText(FORMULA, QString(""));
+      groupItem->setText(OCCURRENCE, "0");
       groupItem->setData(0, Qt::UserRole, QVariant(-1));
     }
@@ -137 +139 @@
     // add molecule
     QTreeWidgetItem *molItem = new QTreeWidgetItem(groupItem);
-    molItem->setText(0, QString((*iter)->getName().c_str()));
-    molItem->setText(1, QString::number((*iter)->getAtomCount()));
-    molItem->setText(2, QString((*iter)->getFormula().toString().c_str()));
+    molItem->setText(NAME, QString((*iter)->getName().c_str()));
+    molItem->setFlags(groupItem->flags() | Qt::ItemIsUserCheckable);
+    molItem->setCheckState(VISIBILITY, Qt::Unchecked);
+    molItem->setText(ATOMCOUNT, QString::number((*iter)->getAtomCount()));
+    molItem->setText(FORMULA, QString((*iter)->getFormula().toString().c_str()));
     const int index = (*iter)->getId();
     molItem->setData(0, Qt::UserRole, QVariant(index));
@@ -146 +150 @@
 
     // increase group occurrence
-    int count = groupItem->text(3).toInt() + 1;
-    groupItem->setText(3, QString::number(count));
+    int count = groupItem->text(4).toInt() + 1;
+    groupItem->setText(OCCURRENCE, QString::number(count));
   }
   dirty = false;
@@ -161 +165 @@
 
 void QtMoleculeList::subjectKilled(Observable *publisher) {
+}
+
+void QtMoleculeList::visibilityChanged(QTreeWidgetItem* item, int column)
+{
+  if (column == VISIBILITY) {
+    const moleculeId_t molid = item->data(0, Qt::UserRole).toInt();
+    const bool visible = item->checkState(VISIBILITY);
+    emit moleculesVisibilityChanged(molid, visible);
+  }
 }
 

src/UIElements/Views/Qt4/QtMoleculeList.hpp

@@ -18 +18 @@
 #include "CodePatterns/Observer/Observer.hpp"
 
+#include "types.hpp"
+
 class molecule;
 class MoleculeListClass;
@@ -36 +38 @@
 
   static const int COLUMNCOUNT;
-  enum {NAME,ATOMCOUNT,FORMULA,OCCURRENCE,COLUMNTYPES_MAX} COLUMNTYPES;
+  enum {NAME,VISIBILITY,ATOMCOUNT,FORMULA,OCCURRENCE,COLUMNTYPES_MAX} COLUMNTYPES;
   static const char *COLUMNNAMES[];
 
 private slots:
   void moleculeChanged();
+  void visibilityChanged(QTreeWidgetItem*, int);
 
   void rowsSelected(const QItemSelection & selected, const QItemSelection & deselected);
@@ -47 +50 @@
   void moleculeSelected(molecule*);
   void moleculeUnSelected(molecule*);
+  void moleculesVisibilityChanged(const moleculeId_t, bool);
 
 private: