Changeset 06ebf5 for src

Timestamp:

Oct 6, 2011, 3:06:16 PM (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:

029bb4

Parents:

907636

git-author:

Frederik Heber <heber@…> (08/26/11 16:26:42)

git-committer:

Frederik Heber <heber@…> (10/06/11 15:06:16)

Message:

Clicking on atoms works.

• GLMoleculeObject_atom, GLMoleculeScene, GLWorldScene have a signal/slot chain that is gradually enriched with ids of clicked atom part of clicked molecule.

Location:

src/UIElements/Views/Qt4/Qt3D

Files:

• GLMoleculeObject_atom.cpp (modified) (3 diffs)
• GLMoleculeObject_atom.hpp (modified) (1 diff)
• GLMoleculeObject_bond.cpp (modified) (1 diff)
• GLMoleculeObject_bond.hpp (modified) (1 diff)
• GLMoleculeScene.cpp (modified) (3 diffs)
• GLMoleculeScene.hpp (modified) (2 diffs)
• GLWorldScene.cpp (modified) (2 diffs)
• GLWorldScene.hpp (modified) (2 diffs)
• GLWorldView.hpp (modified) (1 diff)

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

@@ -28 +28 @@
 #include "CodePatterns/Assert.hpp"
 
-#include "atom.hpp"
 #include "element.hpp"
 #include "LinearAlgebra/Vector.hpp"
@@ -42 +41 @@
 }
 
-GLMoleculeObject_atom::GLMoleculeObject_atom(QObject *parent, const atom *_atom) :
-  GLMoleculeObject(createAtom(parent), parent)
+GLMoleculeObject_atom::GLMoleculeObject_atom(QObject *parent, const atom *atomref) :
+  GLMoleculeObject(createAtom(parent), parent), _atom(atomref)
 {
   const Vector Position = _atom->getPosition();
@@ -68 +67 @@
 
   std::cout << "Created sphere at " << Position << " with elementno " << elementno << "." << endl;
+
+  connect( this, SIGNAL(clicked()), this, SLOT(wasClicked()));
 }
+
+void GLMoleculeObject_atom::wasClicked()
+{
+  qDebug("GLMoleculeObject_atom: atom %d has been clicked", _atom->getId());
+  emit clicked(_atom->getId());
+}

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

@@ -16 +16 @@
 #include "GLMoleculeObject.hpp"
 
-class atom;
+#include "atom.hpp"
 
 class GLMoleculeObject_atom : public GLMoleculeObject
 {
-   Q_OBJECT
+  Q_OBJECT
 public:
-   GLMoleculeObject_atom(QObject *parent, const atom *atomref);
-   ~GLMoleculeObject_atom() {}
+  GLMoleculeObject_atom(QObject *parent, const atom *atomref);
+  ~GLMoleculeObject_atom() {}
+
+private slots:
+  void wasClicked();
+
+signals:
+  void clicked(atomId_t);
 
 private:
-   atom *_atom;
+  const atom *_atom;
 };
 

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

@@ -48 +48 @@
 }
 
-GLMoleculeObject_bond::GLMoleculeObject_bond(QObject *parent, bond *_bond, double distance, enum SideOfBond side) :
-  GLMoleculeObject(createBond(parent, distance), parent)
+GLMoleculeObject_bond::GLMoleculeObject_bond(QObject *parent, const bond *bondref, double distance, enum SideOfBond side) :
+  GLMoleculeObject(createBond(parent, distance), parent), _bond(bondref)
 {
   Vector Position;

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

@@ -20 +20 @@
 class GLMoleculeObject_bond : public GLMoleculeObject
 {
-   Q_OBJECT
+  Q_OBJECT
 public:
-   enum SideOfBond { left, right };
+  enum SideOfBond { left, right };
 
-   GLMoleculeObject_bond(QObject *parent, bond *bondref, double distance, enum SideOfBond side);
-   ~GLMoleculeObject_bond() {}
+  GLMoleculeObject_bond(QObject *parent, const bond *bondref, double distance, enum SideOfBond side);
+  ~GLMoleculeObject_bond() {}
 
 
 private:
-   bond *_bond;
+  const bond *_bond;
 };
 

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

@@ -42 +42 @@
     GLMoleculeObject_atom *atomObject= new GLMoleculeObject_atom(this, *atomiter);
     AtomsinMoleculeMap.insert( make_pair((*atomiter)->getId(), atomObject) );
+    connect (atomObject, SIGNAL(clicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
 
     // create its bonds
@@ -83 +84 @@
      GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
        if (meshobj)
-           meshobj->initialize(view, painter);
+         meshobj->initialize(view, painter);
    }
 }
@@ -93 +94 @@
      GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
        if (meshobj)
-           meshobj->draw(painter);
+         meshobj->draw(painter);
    }
 }
 
+void GLMoleculeScene::atomClicked(atomId_t no)
+{
+   qDebug("GLMoleculeScene: atom %d has been clicked inside molecule %d", no, mol->getId());
+   emit clicked(no, mol->getId());
+}

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

@@ -19 +19 @@
 #include <Qt3D/qglpainter.h>
 
-class molecule;
+#include "atom.hpp"
+#include "molecule.hpp"
+
 class QGLView;
 class GLMoleculeObject_atom;
@@ -30 +32 @@
 class GLMoleculeScene : public QObject
 {
-   Q_OBJECT
+  Q_OBJECT
 public:
-   explicit GLMoleculeScene(QObject *parent, molecule *_mol);
-   virtual ~GLMoleculeScene();
+  explicit GLMoleculeScene(QObject *parent, molecule *_mol);
+  virtual ~GLMoleculeScene();
 
-   virtual void initialize(QGLView *view, QGLPainter *painter);
-   virtual void draw(QGLPainter *painter);
+  virtual void initialize(QGLView *view, QGLPainter *painter);
+  virtual void draw(QGLPainter *painter);
+
+private slots:
+  void atomClicked(atomId_t no);
+
+signals:
+  void pressed();
+  void released();
+  void clicked();
+  void clicked(atomId_t, moleculeId_t);
+  void doubleClicked();
+  void hoverChanged();
 
 private:

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

@@ -57 +57 @@
       GLMoleculeScene * const molObject = new GLMoleculeScene(this, *Runner);
       MoleculeSceneList.push_back(molObject);
+      connect (molObject, SIGNAL(clicked(atomId_t, moleculeId_t)), this, SLOT(molClicked(atomId_t, moleculeId_t)));
     }
   }
@@ -79 +80 @@
   }
 }
-//
-///** create an atom object in the scene.
-// * \param molObject Object of the molecule in the scene to set as parent
-// * \param _atom ref to the atom to create
-// */
-//void GLWorldScene::makeAtom(GLMoleculeObject *&molObject, const atom *&_atom)
-//{
-//  // create object (hand over getMaterial as callback function)
-//  GLMoleculeObject_atom *newatom = new GLMoleculeObject_atom(molObject, _atom, &getMaterial);
-//
-//  // connect signal
-//  connect(newatom, SIGNAL(hoverChanged()), this, SIGNAL(changed()));
-//
-//  // add to nodes map
-//  AtomsinSceneMap.insert( make_pair(_atom->getId(), newatom) );
-//}
-//
-///** Create a bond object in the scene.
-// * \param molObject Object of the molecule in the scene to set as parent
-// * \param _bond ref to the bond to create
-// */
-//void GLWorldScene::makeCylinder(GLMoleculeObject *&molObject, const bond *_bond)
-//    //const Vector &x, const Vector &y, double radius, double height, const size_t elementno)
-//{
-//  // create object
-//  QGLMoleculeObject_bond *newbond = new QGLMoleculeObject_bond(molObject, _bond, &getMaterial)
-//
-//  // nothing to connect here
-//
-//  // add to nodes map
-//  BondsinSceneMap.insert(
-//      make_pair(
-//          make_pair(
-//              _bond->leftatom->getId(),
-//              _bond->rightatom->getId()
-//              ),
-//      newatom) );
-//}
-//
-//
-//
-//QGLSceneNode* GLMoleculeView::getAtom(size_t no)
-//{
-//  // first some sensibility checks
-//  ASSERT(World::getInstance().getAtom(AtomById(no)) != NULL,
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(no)+" not present in the World.");
-//  ASSERT(AtomsinSceneMap.find(no) != AtomsinSceneMap.end(),
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(no)+" not present in the AtomsinSceneMap.");
-//
-//  return AtomsinSceneMap[no];
-//}
-//
-//QGLSceneNode* GLMoleculeView::getBond(size_t leftno, size_t rightno)
-//{
-//  // first some sensibility checks
-//  ASSERT(World::getInstance().getAtom(AtomById(leftno)) != NULL,
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(leftno)+" of bond not present in the World.");
-//  ASSERT(World::getInstance().getAtom(AtomById(rightno)) != NULL,
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(rightno)+" of bond not present in the World.");
-//  ASSERT(AtomsinSceneMap.find(leftno) != AtomsinSceneMap.end(),
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(leftno)+" of bond not present in the AtomsinSceneMap.");
-//  ASSERT(AtomsinSceneMap.find(rightno) != AtomsinSceneMap.end(),
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(rightno)+" of bond not present in the AtomsinSceneMap.");
-//  ASSERT(leftno == rightno,
-//      "GLMoleculeView::getAtom() - bond must not be between the same atom: "
-//      +toString(leftno)+" == "+toString(rightno)+".");
-//
-//  // then return with smaller index first
-//  if (leftno > rightno)
-//    return AtomsinSceneMap[ make_pair(rightno, leftno) ];
-//  else
-//    return AtomsinSceneMap[ make_pair(leftno, rightno) ];
-//}
 
-void GLWorldScene::atomClicked()
+void GLWorldScene::molClicked(atomId_t atom_no, moleculeId_t mol_no)
 {
-   qDebug("atom clicked");
+   qDebug("WorldScene: atom %d of molecule %d has been clicked", atom_no, mol_no);
 }

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

@@ -17 +17 @@
 
 #include <Qt/qobject.h>
+
+#include "atom.hpp"
+#include "molecule.hpp"
 
 class QGLPainter;
@@ -52 +55 @@
 
 private slots:
-  void atomClicked();
+  void molClicked(atomId_t atom_no, moleculeId_t mol_no);
 
 private:

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

@@ -26 +26 @@
 class GLWorldView : public QGLView
 {
-   Q_OBJECT
+  Q_OBJECT
 public:
-   GLWorldView(QWidget *parent=0);
-   virtual ~GLWorldView();
+  GLWorldView(QWidget *parent=0);
+  virtual ~GLWorldView();
 
 public slots:
 
 protected:
-   void initializeGL(QGLPainter *painter);
-   void paintGL(QGLPainter *painter);
-   void keyPressEvent(QKeyEvent *e);
+  void initializeGL(QGLPainter *painter);
+  void paintGL(QGLPainter *painter);
+  void keyPressEvent(QKeyEvent *e);
 
 private:
-   GLWorldScene *worldscene;
+  GLWorldScene *worldscene;
 };