Changeset ce4126 for src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp

Timestamp:

Sep 8, 2014, 9:36:29 PM (11 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:

dae158

Parents:

8592c9

git-author:

Frederik Heber <heber@…> (08/30/14 15:16:38)

git-committer:

Frederik Heber <heber@…> (09/08/14 21:36:29)

Message:

FIX: Added update mechanism to GLWorldScene when WorldTime changes.

• bonds were not updated when WorldTime changed, atoms only change because each was subscribed to WorldTime.
• Now, just GLWorldView is subscribed to WorldTime::TimeChanged, emitting TimeChanged and activating GLWorldScene::updated() signal.
• GLWorldScene has access to private reset..() functions of GLMoleculeObject_atom and GLMoleculeObject_bond.
• added GLWorldScene::update(), enhancing (also modified) ::init() function. It does not use molecules anymore, but directly the World's atoms. These are iterated over, checked whether already present and updated or added. Similarly with bonds. update() is activated on signal updated().

File:

• src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) (4 diffs)

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

@@ -94 +94 @@
   }
 
+  connect(this, SIGNAL(updated()), this, SLOT(update()));
+
   setSelectionMode(SelectAtom);
 
@@ -110 +112 @@
 void GLWorldScene::init()
 {
-  const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
-
-  if (molecules.size() > 0) {
-    for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
-        Runner != molecules.end();
-        Runner++) {
-
-      for (molecule::const_iterator atomiter = (*Runner)->begin();
-          atomiter != (*Runner)->end();
-          ++atomiter) {
-        // create atom objects in scene
+  const std::vector<atom*> &atoms = World::getInstance().getAllAtoms();
+
+  if (atoms.size() > 0) {
+    for (std::vector<atom*>::const_iterator atomiter = atoms.begin();
+        atomiter != atoms.end();
+        atomiter++) {
+      // create atom objects in scene
+      atomInserted((*atomiter)->getId());
+
+      // create bond objects in scene
+      const BondList &bondlist = (*atomiter)->getListOfBonds();
+      for (BondList::const_iterator bonditer = bondlist.begin();
+          bonditer != bondlist.end();
+          ++bonditer) {
+        const bond::ptr _bond = *bonditer;
+        const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
+            GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
+        bondInserted(_bond, side);
+      }
+    }
+  }
+}
+
+/** Update the WorldScene with molecules and atoms from World.
+ *
+ * This function should be called after e.g. WorldTime::TimeChanged was
+ * received or after another molecule has been loaded.
+ *
+ */
+void GLWorldScene::update()
+{
+  const std::vector<atom*> &atoms = World::getInstance().getAllAtoms();
+
+  if (atoms.size() > 0) {
+    for (std::vector<atom*>::const_iterator atomiter = atoms.begin();
+        atomiter != atoms.end();
+        atomiter++) {
+      // check whether atom already exists
+      const atomId_t atomid = (*atomiter)->getId();
+      const bool atom_present = AtomsinSceneMap.count(atomid);
+      if (!atom_present)
         atomInserted((*atomiter)->getId());
-
-        // create bond objects in scene
-        const BondList &bondlist = (*atomiter)->getListOfBonds();
-        for (BondList::const_iterator bonditer = bondlist.begin();
-            bonditer != bondlist.end();
-            ++bonditer) {
-          const bond::ptr _bond = *bonditer;
-          const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
-              GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
+      else
+        AtomsinSceneMap[atomid]->resetPosition();
+
+
+      // create bond objects in scene
+      const BondList &bondlist = (*atomiter)->getListOfBonds();
+      for (BondList::const_iterator bonditer = bondlist.begin();
+          bonditer != bondlist.end();
+          ++bonditer) {
+        const bond::ptr _bond = *bonditer;
+        const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
+            GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
+        bool bond_present = false;
+        const BondIds ids = getBondIds(_bond,side);
+        if (atom_present) {
+          // check whether bond is not present already
+          bond_present = BondsinSceneMap.count(ids);
+        }
+        if (!bond_present)
           bondInserted(_bond, side);
+        else {
+          BondsinSceneMap[ids]->resetPosition();
+          BondsinSceneMap[ids]->resetWidth();
         }
       }
@@ -246 +291 @@
 }
 
-/** Adds a bond to the scene.
- *
- * @param _bond bond to add
- * @param side which side of the bond (left or right)
- */
-void GLWorldScene::bondInserted(const bond::ptr _bond, const enum GLMoleculeObject_bond::SideOfBond side)
-{
-  LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
-  //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
-
+/** Helper function to get bond ids in the correct order for BondNodeMap.
+ *
+ * \return pair of ids in correct order.
+ */
+GLWorldScene::BondIds GLWorldScene::getBondIds(
+    const bond::ptr _bond,
+    const enum GLMoleculeObject_bond::SideOfBond _side) const
+{
   BondIds ids;
-  switch (side) {
+  switch (_side) {
     case GLMoleculeObject_bond::left:
       ids = std::make_pair(_bond->leftatom->getId(), _bond->rightatom->getId());
@@ -265 +308 @@
       break;
   }
-#ifndef NDEBUG
+  return ids;
+}
+
+/** Adds a bond to the scene.
+ *
+ * @param _bond bond to add
+ * @param side which side of the bond (left or right)
+ */
+void GLWorldScene::bondInserted(const bond::ptr _bond, const enum GLMoleculeObject_bond::SideOfBond _side)
+{
+  LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
+  //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
+
+  const BondIds ids = getBondIds(_bond, _side);
   BondNodeMap::iterator iter = BondsinSceneMap.find(ids);
-  ASSERT(iter == BondsinSceneMap.end(),
-      "GLWorldScene::bondAdded() - same left-sided bond "+toString(*_bond)+" added again.");
-#endif
-  GLMoleculeObject_bond * bondObject =
-      new GLMoleculeObject_bond(meshCylinder, this, _bond, side);
-  connect (
-      bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),
-      this, SLOT(bondRemoved(const atomId_t, const atomId_t)));
-  connect (bondObject, SIGNAL(changed()), this, SIGNAL(changed()));
-  BondsinSceneMap.insert( make_pair(ids, bondObject) );
-//    BondIdsinSceneMap.insert( Leftids );
+  if (iter == BondsinSceneMap.end()) {
+    GLMoleculeObject_bond * bondObject =
+        new GLMoleculeObject_bond(meshCylinder, this, _bond, _side);
+    connect (
+        bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),
+        this, SLOT(bondRemoved(const atomId_t, const atomId_t)));
+    connect (bondObject, SIGNAL(changed()), this, SIGNAL(changed()));
+    BondsinSceneMap.insert( make_pair(ids, bondObject) );
+  //    BondIdsinSceneMap.insert( Leftids );
+  } else {
+    iter->second->resetPosition();
+    iter->second->resetWidth();
+  }
   emit changeOccured();
 }