source: src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp@ 96f14a

/*
 * Project: MoleCuilder
 * Description: creates and alters molecular systems
 * Copyright (C)  2010-2012 University of Bonn. All rights reserved.
 * Copyright (C)  2013 Frederik Heber. All rights reserved.
 * 
 *
 *   This file is part of MoleCuilder.
 *
 *    MoleCuilder is free software: you can redistribute it and/or modify
 *    it under the terms of the GNU General Public License as published by
 *    the Free Software Foundation, either version 2 of the License, or
 *    (at your option) any later version.
 *
 *    MoleCuilder is distributed in the hope that it will be useful,
 *    but WITHOUT ANY WARRANTY; without even the implied warranty of
 *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 *    GNU General Public License for more details.
 *
 *    You should have received a copy of the GNU General Public License
 *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
 */

/*
 * GLWorldScene.cpp
 *
 *  This is based on the Qt3D example "teaservice", specifically parts of teaservice.cpp.
 *
 *  Created on: Aug 17, 2011
 *      Author: heber
 */

// include config.h
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

#include "GLWorldScene.hpp"
#include <Qt3D/qglview.h>
#include <Qt3D/qglbuilder.h>
#include <Qt3D/qglscenenode.h>
#include <Qt3D/qglsphere.h>
#include <Qt3D/qglcylinder.h>

#include "UIElements/Views/Qt4/Qt3D/GLMoleculeObject.hpp"
#include "UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp"
#include "UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp"
#include "UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp"
#include "UIElements/Views/Qt4/Qt3D/GLMoleculeObject_shape.hpp"

#include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp"

#include "CodePatterns/MemDebug.hpp"

#include "CodePatterns/Log.hpp"

#include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
#include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
#include "Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp"
#include "Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp"
#include "Atom/atom.hpp"
#include "Bond/bond.hpp"
#include "Descriptors/AtomIdDescriptor.hpp"
#include "Descriptors/MoleculeIdDescriptor.hpp"
#include "Helpers/helpers.hpp"
#include "Shapes/ShapeRegistry.hpp"
#include "molecule.hpp"
#include "World.hpp"

#include <iostream>

using namespace MoleCuilder;

GLWorldScene::GLWorldScene(
    QtObservedInstanceBoard * _board,
    QObject *parent) :
  QObject(parent),
  selectionMode(SelectAtom),
  board(_board)
{
  int sphereDetails[] = {5, 3, 2, 0};
  int cylinderDetails[] = {16, 8, 6, 3};
  for (int i=0;i<GLMoleculeObject::DETAILTYPES_MAX;i++){
    QGLBuilder emptyBuilder;
    GLMoleculeObject::meshEmpty[i] = emptyBuilder.finalizedSceneNode();
    QGLBuilder sphereBuilder;
    sphereBuilder << QGLSphere(2.0, sphereDetails[i]);
    GLMoleculeObject::meshSphere[i] = sphereBuilder.finalizedSceneNode();
    GLMoleculeObject::meshSphere[i]->setOption(QGLSceneNode::CullBoundingBox, true);
    QGLBuilder cylinderBuilder;
    cylinderBuilder << QGLCylinder(.25,.25,1.0,cylinderDetails[i]);
    GLMoleculeObject::meshCylinder[i] = cylinderBuilder.finalizedSceneNode();
    GLMoleculeObject::meshCylinder[i]->setOption(QGLSceneNode::CullBoundingBox, true);
  }
  connect(board, SIGNAL(moleculeInserted(QtObservedMolecule::ptr)),
      this, SLOT(moleculeSignOn(QtObservedMolecule::ptr)), Qt::DirectConnection);
  connect(board, SIGNAL(moleculeRemoved(ObservedValue_Index_t)),
      this, SLOT(moleculeSignOff(ObservedValue_Index_t)), Qt::DirectConnection);
  connect(board, SIGNAL(atomInserted(QtObservedAtom::ptr)),
      this, SLOT(atomInserted(QtObservedAtom::ptr)));
  connect(board, SIGNAL(atomRemoved(ObservedValue_Index_t)),
      this, SLOT(atomRemoved(ObservedValue_Index_t)));
  connect(board, SIGNAL(bondInserted(QtObservedBond::ptr)),
      this, SLOT(bondInserted(QtObservedBond::ptr)));
  connect(board, SIGNAL(bondRemoved(ObservedValue_Index_t)),
      this, SLOT(bondRemoved(ObservedValue_Index_t)));
  connect(this, SIGNAL(insertMolecule(QtObservedMolecule::ptr)),
      this, SLOT(moleculeInserted(QtObservedMolecule::ptr)) );
  connect(this, SIGNAL(removeMolecule(QtObservedMolecule*)),
      this, SLOT(moleculeRemoved(QtObservedMolecule*)) );

//  connect(this, SIGNAL(updated()), this, SLOT(update()));
}

GLWorldScene::~GLWorldScene()
{
  // remove all elements
  GLMoleculeObject::cleanMaterialMap();
}

void GLWorldScene::atomClicked(atomId_t no)
{
   LOG(3, "INFO: GLMoleculeObject_molecule - atom " << no << " has been clicked.");
   const atom * const Walker = const_cast<const World &>(World::getInstance()).
       getAtom(AtomById(no));
   ASSERT( Walker != NULL,
       "GLWorldScene::atomClicked() - clicked atom has disappeared.");
   if (selectionMode == SelectAtom){
     if (!World::getInstance().isSelected(Walker))
       SelectionAtomById(std::vector<atomId_t>(1,no));
     else
       SelectionNotAtomById(std::vector<atomId_t>(1,no));
   }else if (selectionMode == SelectMolecule){
     const molecule *mol = Walker->getMolecule();
     ASSERT(mol, "Atom without molecule has been clicked.");
     molids_t ids(1, mol->getId());
     if (!World::getInstance().isSelected(mol))
       SelectionMoleculeById(ids);
     else
       SelectionNotMoleculeById(ids);
   }
   emit clicked(no);
}

void GLWorldScene::moleculeClicked(moleculeId_t no)
{
   LOG(3, "INFO: GLMoleculeObject_molecule - mol " << no << " has been clicked.");
   const molecule * const mol= const_cast<const World &>(World::getInstance()).
       getMolecule(MoleculeById(no));
   ASSERT(mol, "Atom without molecule has been clicked.");
   molids_t ids(1, mol->getId());
   if (!World::getInstance().isSelected(mol))
     SelectionMoleculeById(ids);
   else
     SelectionNotMoleculeById(ids);
   emit clicked(no);
}

/** Prepares insertion of a general atom.
 *
 * This is called before the insertion into a molecule and thus before the
 * insertion into the scene.
 *
 * @param _atom atom to insert
 */
void GLWorldScene::atomInserted(QtObservedAtom::ptr _atom)
{
  const ObservedValue_Index_t atomid = _atom->getIndex();
  ASSERT( QtObservedAtomMap.find(atomid) == QtObservedAtomMap.end(),
      "GLWorldScene::AtomInserted() - atom with id "+toString(_atom->getAtomIndex())
      +" is already present in QtObservedAtomMap.");
  QtObservedAtomMap[atomid] = _atom;
}

/** Removes an general atom.
 *
 * This is called when the atom has been removed from the molecule.
 *
 * @param _atom atom to remove
 */
void GLWorldScene::atomRemoved(ObservedValue_Index_t _atomid)
{
  const QtObservedAtomMap_t::iterator eraseiter = QtObservedAtomMap.find(_atomid);
  ASSERT( eraseiter != QtObservedAtomMap.end(),
      "GLWorldScene::AtomRemoved() - atom with id "+toString(_atomid)
      +" is not present in QtObservedAtomMap.");
  QtObservedAtomMap.erase(eraseiter);
}

/** Prepares insertion of a bond.
 *
 * This is called before the insertion into a molecule and thus before the
 * insertion into the scene.
 *
 * @param _bond bond to insert
 */
void GLWorldScene::bondInserted(QtObservedBond::ptr _bond)
{
  const ObservedValue_Index_t bondid = _bond->getIndex();
  ASSERT( QtObservedBondMap.find(bondid) == QtObservedBondMap.end(),
      "GLWorldScene::BondInserted() - bond with id "+toString(_bond->getBondIndex())
      +" is already present in QtObservedBondMap.");
  QtObservedBondMap[bondid] = _bond;

  // assign to its molecule if present
  const moleculeId_t molid = _bond->getMoleculeIndex();
  if (molid != (moleculeId_t)-1) {
    QtObservedMolecule::ptr mol = board->getObservedMolecule(molid);
    emit moleculesBondInserted(_bond, mol.get());
  } else {
    // watch bond till it has a molecule
    connect( _bond.get(), SIGNAL(moleculeIndexChanged(moleculeId_t,moleculeId_t)),
        this, SLOT(bondsMoleculeChanged(moleculeId_t, moleculeId_t)));
  }
}

/** Handle change of molecule from initial none.
 *
 */
void GLWorldScene::bondsMoleculeChanged(moleculeId_t _oldid, moleculeId_t _newid)
{
  ASSERT( _oldid == (moleculeId_t)-1,
      "GLWorldScene::bondsMoleculeChanged() - got true index change from "
      +toString(_oldid)+" to "+toString(_newid)+" and not just added to mol.");
  QtObservedBond* bondref = static_cast<QtObservedBond*>(sender());

  // disconnect from further molecule changes
  disconnect( bondref, SIGNAL(moleculeIndexChanged(moleculeId_t,moleculeId_t)),
      this, SLOT(bondsMoleculeChanged(moleculeId_t, moleculeId_t)));

  // add it to its molecule
  QtObservedMolecule::ptr mol = board->getObservedMolecule(_newid);
  emit moleculesBondInserted(bondref->getRef(), mol.get());
}


/** Removes an general bond.
 *
 * This is called when the bond has been removed from the molecule.
 *
 * @param _bond bond to remove
 */
void GLWorldScene::bondRemoved(ObservedValue_Index_t _bondid)
{
  const QtObservedBondMap_t::iterator eraseiter = QtObservedBondMap.find(_bondid);
  ASSERT( eraseiter != QtObservedBondMap.end(),
      "GLWorldScene::BondRemoved() - bond with id "+toString(_bondid)
      +" is not present in QtObservedBondMap.");
  QtObservedBond::ptr bondref = eraseiter->second;

  // tell its assigned molecule if present
  const moleculeId_t molid = bondref->getMoleculeIndex();
  if (molid != (moleculeId_t)-1) {
    QtObservedMolecule::ptr mol = board->getObservedMolecule(molid);
    emit moleculesBondRemoved(_bondid, mol.get());
  } else {
    // it might have still been waiting for a molecule assignment
    disconnect( bondref.get(), SIGNAL(moleculeIndexChanged(moleculeId_t,moleculeId_t)),
        this, SLOT(bondsMoleculeChanged(moleculeId_t, moleculeId_t)));
  }
  QtObservedBondMap.erase(eraseiter);
}

/** Inserts an atom into the scene when molecule is present.
 *
 * @param _atom atom to insert
 */
void GLWorldScene::moleculesAtomInserted(QtObservedAtom::ptr _atom, QtObservedMolecule * _mol)
{
  const ObservedValue_Index_t atomid = _atom->getIndex();
  // this ASSERT cannot work: The same molecule may get reassigned to a different
  // molecule, when e.g. the time step changes (which triggers an update-molecules).
  // The GUI is slow and may lack behind and thus get  to execute the event
  // moleculeAtomInserted when the change has been already been done.
//  ASSERT( (atommol == NULL) || (_mol == atommol),
//      "GLWorldScene::moleculesAtomInserted() - atom "+toString(atomid)
//      +" claims to belong to QtObservedMolecule "+toString(atommol)
//      +" but signal came from QtObservedMolecule "+toString(_mol)+".");
  LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom " << _atom->getAtomIndex());
  const ObservedValue_Index_t molid = _mol->getIndex();

  // check of molecule is already present
  boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);
  const MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
  if (moliter != MoleculesinSceneMap.end()) {
    const RemovedMoleculesMap_t::iterator emptyiter = EmptyMolecules.find(_mol);
    if (emptyiter != EmptyMolecules.end())
      EmptyMolecules.erase(emptyiter);
    // check that it is the right molecule
    QtObservedMolecule::ptr &checkmol = moliter->second->ObservedMolecule;
    if (checkmol.get() == _mol) {
      LOG(3, "INFO: GLWorldScene: Sending signal moleculesAtomInserted for atom "
          << _atom->getAtomIndex());
      QMetaObject::invokeMethod(moliter->second,        // pointer to a QObject
                                "atomInserted",       // member name (no parameters here)
                                Qt::QueuedConnection,     // connection type
                                Q_ARG(QtObservedAtom::ptr, _atom));     // parameters
    } else {
      // relay atomRemoved to GLMoleculeObject_molecule in RemovedMolecules
//      LOG(3, "INFO: GLWorldScene: Sending signal moleculesAtomInserted for atom "+toString(_atomid)
//          +" to molecule in RemovedMolecules.");
//      const RemovedMoleculesMap_t::iterator removedmoliter = RemovedMolecules.find(molid);
//      ASSERT( removedmoliter != RemovedMolecules.end(),
//          "GLWorldScene::moleculesAtomInserted() - signal from old mol "
//          +toString(molid)+", but not present in RemovedMolecules");
//      QMetaObject::invokeMethod(removedmoliter->second,        // pointer to a QObject
//                                "atomInserted ",       // member name (no parameters here)
//                                Qt::QueuedConnection,     // connection type
//                                Q_ARG(QtObservedAtom::ptr, _atom));     // parameters
      ASSERT( 0,
          "GLWorldScene::moleculesAtomInserted() - would need to send atomInserted to already removed molecule.");
    }
  } else {
    const RemovedMoleculesMap_t::iterator removedmoliter = RemovedMolecules.find(_mol);
    if (removedmoliter != RemovedMolecules.end()) {
      ASSERT( 0,
          "GLWorldScene::moleculesAtomInserted() - would need to send atomInserted to already removed molecule.");
    } else {
      boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
      // only record missed state for molecule if (still) present but not instantiated
      if (QtObservedMoleculeMap.count(molid)) {
        // store signal for when it is instantiated
        if (MoleculeMissedStateMap.count(molid) == 0)
          MoleculeMissedStateMap.insert( std::make_pair(molid ,StateChangeMap_t()) );
        MoleculeMissedStateMap[molid].insert( std::make_pair(atomid, atomInsertedState) );
        ASSERT( QtObservedAtomMap[atomid] == _atom,
            "GLWorldScene::moleculesAtomInserted() - atom "+toString(atomid)
            +" inserted in molecule "+toString(_mol->getMolIndex())
            +" which does not match atom in QtObservedAtomMap.");
        LOG(3, "INFO: GLWorldScene: Placing atomInserted for atom " << _atom->getAtomIndex()
             << " and molecule " << _mol->getMolIndex() << " into missed state map.");
      }
    }
  }
}

/** Removes an atom into the scene before molecule is present.
 *
 * @param _atomid atom to remove
 */
void GLWorldScene::moleculesAtomRemoved(ObservedValue_Index_t _atomid, QtObservedMolecule * _mol)
{
  LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_atomid)+".");

  const ObservedValue_Index_t molid = _mol->getIndex();
  // check of molecule is already present
  boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);
  const MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
  if (moliter != MoleculesinSceneMap.end()) {
    const QtObservedMolecule::ptr &checkmol = moliter->second->ObservedMolecule;
    if (checkmol.get() == _mol) {
      LOG(3, "INFO: GLWorldScene: Sending signal moleculesAtomRemoved for atom "+toString(_atomid)+".");
      QMetaObject::invokeMethod(moliter->second,        // pointer to a QObject
                                "atomRemoved",       // member name (no parameters here)
                                Qt::QueuedConnection,     // connection type
                                Q_ARG(ObservedValue_Index_t, _atomid));     // parameters
    } else {
      // relay atomRemoved to GLMoleculeObject_molecule in RemovedMolecules
      LOG(3, "INFO: GLWorldScene: Sending signal moleculesAtomRemoved for atom "+toString(_atomid)
          +" to molecule in RemovedMolecules.");
      const RemovedMoleculesMap_t::iterator removedmoliter = RemovedMolecules.find(_mol);
      ASSERT( removedmoliter != RemovedMolecules.end(),
          "GLWorldScene::moleculesAtomRemoved() - signal from old molecule "
          +toString(molid)+", but not present in RemovedMolecules");
#ifndef NDEBUG
      const QtObservedMolecule::ptr &othercheckmol = removedmoliter->second->ObservedMolecule;
#endif
      ASSERT( othercheckmol.get() == _mol,
          "GLWorldScene::moleculesAtomRemoved() - signal from old molecule "
          +toString(molid)+", but different one "+toString(othercheckmol)
          +" present in RemovedMolecules.");
      QMetaObject::invokeMethod(removedmoliter->second,        // pointer to a QObject
                                "atomRemoved",       // member name (no parameters here)
                                Qt::QueuedConnection,     // connection type
                                Q_ARG(ObservedValue_Index_t, _atomid));     // parameters
    }
  } else {
    const RemovedMoleculesMap_t::iterator removedmoliter = RemovedMolecules.find(_mol);
    if (removedmoliter != RemovedMolecules.end()) {
      ASSERT( removedmoliter != RemovedMolecules.end(),
          "GLWorldScene::moleculesAtomRemoved() - signal from old molecule "
          +toString(molid)+", but not present in RemovedMolecules");
#ifndef NDEBUG
      const QtObservedMolecule::ptr &othercheckmol = removedmoliter->second->ObservedMolecule;
#endif
      ASSERT( othercheckmol.get() == _mol,
          "GLWorldScene::moleculesAtomRemoved() - signal from old molecule "
          +toString(molid)+", but different one "+toString(othercheckmol)
          +" present in RemovedMolecules.");
      QMetaObject::invokeMethod(removedmoliter->second,        // pointer to a QObject
                                "atomRemoved",       // member name (no parameters here)
                                Qt::QueuedConnection,     // connection type
                                Q_ARG(ObservedValue_Index_t, _atomid));     // parameters
    } else {
      boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
      // only record missed state for molecule if (still) present but not instantiated
      if (QtObservedMoleculeMap.count(molid)) {
        // store signal for when it is instantiated
        if (MoleculeMissedStateMap.count(molid) == 0)
          MoleculeMissedStateMap.insert( std::make_pair(molid, StateChangeMap_t()) );
        MoleculeMissedStateMap[molid].insert( std::make_pair(_atomid, atomRemovedState) );
        LOG(3, "INFO: GLWorldScene: Placing atomRemoved for atom " << _atomid
             << " and molecule " << molid << " into missed state map.");
      }
    }
  }
}

/** Inserts an bond into the scene when molecule is present.
 *
 * @param _bond bond to insert
 */
void GLWorldScene::moleculesBondInserted(QtObservedBond::ptr _bond, QtObservedMolecule * _mol)
{
  const ObservedValue_Index_t bondid = _bond->getIndex();
  LOG(3, "INFO: GLWorldScene: Received signal bondInserted for bond " << _bond->getBondIndex());
  const ObservedValue_Index_t molid = _mol->getIndex();

  // check of molecule is already present
  boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);
  const MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
  if (moliter != MoleculesinSceneMap.end()) {
    // check that it is the right molecule
    QtObservedMolecule::ptr &checkmol = moliter->second->ObservedMolecule;
    ASSERT( checkmol.get() == _mol,
        "GLWorldScene::moleculesBondInserted() - claimed and present molecule differ.");
    LOG(3, "INFO: GLWorldScene: Sending signal moleculesBondInserted for bond "
        << _bond->getBondIndex());
    QMetaObject::invokeMethod(moliter->second,        // pointer to a QObject
                              "bondInserted",       // member name (no parameters here)
                              Qt::QueuedConnection,     // connection type
                              Q_ARG(QtObservedBond::ptr, _bond));     // parameters
  } else {
#ifndef NDEBUG
    const RemovedMoleculesMap_t::iterator removedmoliter = RemovedMolecules.find(_mol);
    ASSERT( removedmoliter != RemovedMolecules.end(),
          "GLWorldScene::moleculesBondInserted() - would need to send bondInserted to already removed molecule.");
#endif
    boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
    // only record missed state for molecule if (still) present but not instantiated
    if (QtObservedMoleculeMap.count(molid)) {
      // store signal for when it is instantiated
      if (MoleculeMissedStateMap.count(molid) == 0)
        MoleculeMissedStateMap.insert( std::make_pair(molid ,StateChangeMap_t()) );
      MoleculeMissedStateMap[molid].insert( std::make_pair(bondid, bondInsertedState) );
      ASSERT( QtObservedBondMap[bondid] == _bond,
          "GLWorldScene::moleculesBondInserted() - bond "+toString(bondid)
          +" inserted in molecule "+toString(_mol->getMolIndex())
          +" which does not match bond in QtObservedBondMap.");
      LOG(3, "INFO: GLWorldScene: Placing bondInserted for bond " << _bond->getBondIndex()
           << " and molecule " << _mol->getMolIndex() << " into missed state map.");
    }
  }
}

/** Removes an bond into the scene before molecule is present.
 *
 * @param _bondid bond to remove
 */
void GLWorldScene::moleculesBondRemoved(ObservedValue_Index_t _bondid, QtObservedMolecule * _mol)
{
  LOG(3, "INFO: GLWorldScene: Received signal bondRemoved for bond "+toString(_bondid)+".");

  const ObservedValue_Index_t molid = _mol->getIndex();
  // check of molecule is already present
  boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);
  const MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
  if (moliter != MoleculesinSceneMap.end()) {
    const QtObservedMolecule::ptr &checkmol = moliter->second->ObservedMolecule;
    if (checkmol.get() == _mol) {
      LOG(3, "INFO: GLWorldScene: Sending signal moleculesBondRemoved for bond "+toString(_bondid)+".");
      QMetaObject::invokeMethod(moliter->second,        // pointer to a QObject
                                "bondRemoved",       // member name (no parameters here)
                                Qt::QueuedConnection,     // connection type
                                Q_ARG(ObservedValue_Index_t, _bondid));     // parameters
    } else {
      // relay bondRemoved to GLMoleculeObject_molecule in RemovedMolecules
      LOG(3, "INFO: GLWorldScene: Sending signal moleculesBondRemoved for bond "+toString(_bondid)
          +" to molecule in RemovedMolecules.");
      const RemovedMoleculesMap_t::iterator removedmoliter = RemovedMolecules.find(_mol);
      ASSERT( removedmoliter != RemovedMolecules.end(),
          "GLWorldScene::moleculesBondRemoved() - signal from old molecule "
          +toString(molid)+", but not present in RemovedMolecules");
#ifndef NDEBUG
      const QtObservedMolecule::ptr &othercheckmol = removedmoliter->second->ObservedMolecule;
      ASSERT( othercheckmol.get() == _mol,
          "GLWorldScene::moleculesBondRemoved() - signal from old molecule "
          +toString(molid)+", but different one "+toString(othercheckmol)
          +" present in RemovedMolecules.");
#endif
      QMetaObject::invokeMethod(removedmoliter->second,        // pointer to a QObject
                                "bondRemoved",       // member name (no parameters here)
                                Qt::QueuedConnection,     // connection type
                                Q_ARG(ObservedValue_Index_t, _bondid));     // parameters
    }
  } else {
    const RemovedMoleculesMap_t::iterator removedmoliter = RemovedMolecules.find(_mol);
    if (removedmoliter != RemovedMolecules.end()) {
      ASSERT( removedmoliter != RemovedMolecules.end(),
          "GLWorldScene::moleculesBondRemoved() - signal from old molecule "
          +toString(molid)+", but not present in RemovedMolecules");
#ifndef NDEBUG
      const QtObservedMolecule::ptr &othercheckmol = removedmoliter->second->ObservedMolecule;
      ASSERT( othercheckmol.get() == _mol,
          "GLWorldScene::moleculesBondRemoved() - signal from old molecule "
          +toString(molid)+", but different one "+toString(othercheckmol)
          +" present in RemovedMolecules.");
#endif
      QMetaObject::invokeMethod(removedmoliter->second,        // pointer to a QObject
                                "bondRemoved",       // member name (no parameters here)
                                Qt::QueuedConnection,     // connection type
                                Q_ARG(ObservedValue_Index_t, _bondid));     // parameters
    } else {
      boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
      // only record missed state for molecule if (still) present but not instantiated
      if (QtObservedMoleculeMap.count(molid)) {
        // store signal for when it is instantiated
        if (MoleculeMissedStateMap.count(molid) == 0)
          MoleculeMissedStateMap.insert( std::make_pair(molid, StateChangeMap_t()) );
        MoleculeMissedStateMap[molid].insert( std::make_pair(_bondid, bondRemovedState) );
        LOG(3, "INFO: GLWorldScene: Placing bondRemoved for bond " << _bondid
             << " and molecule " << molid << " into missed state map.");
      }
    }
  }
}

void GLWorldScene::moleculeSignOn(QtObservedMolecule::ptr _mol)
{
  // sign on to QtObservedMolecule to get atomInserted/..Removed signals from same
  // source as GLMoleculeObject_molecule would
  connect(_mol.get(), SIGNAL(atomInserted(QtObservedAtom::ptr, QtObservedMolecule *)),
      this, SLOT(moleculesAtomInserted(QtObservedAtom::ptr, QtObservedMolecule *)) );
  connect(_mol.get(), SIGNAL(atomRemoved(ObservedValue_Index_t, QtObservedMolecule *)),
      this, SLOT(moleculesAtomRemoved(ObservedValue_Index_t, QtObservedMolecule *)) );
  const ObservedValue_Index_t molid = _mol->getIndex();
  ASSERT( QtObservedMoleculeMap.find(molid) == QtObservedMoleculeMap.end(),
      "GLWorldScene::moleculeSignOn() - molecule with id "+toString(_mol->getMolIndex())
      +" is already present in QtObservedMoleculeMap.");
  QtObservedMoleculeMap[molid] = _mol;

  LOG(3, "INFO: GLWorldScene: Received signal moleculeSignOn for molecule " << _mol->getMolIndex());

  emit insertMolecule(_mol);
}

void GLWorldScene::moleculeSignOff(ObservedValue_Index_t _id)
{
  const QtObservedMoleculeMap_t::iterator eraseiter = QtObservedMoleculeMap.find(_id);
  ASSERT( eraseiter != QtObservedMoleculeMap.end(),
      "GLWorldScene::moleculeSignOff() - cannot find id "+toString(_id)+" in map.");
  QtObservedMolecule * mol = eraseiter->second.get();
  QtObservedMoleculeMap.erase(eraseiter);

  LOG(3, "INFO: GLWorldScene: Received signal moleculeSignOff for molecule " << mol->getMolIndex());

  emit removeMolecule(mol);
}

/** Inserts a molecule into the scene.
 *
 * @param _mol molecule to insert
 */
void GLWorldScene::moleculeInserted(QtObservedMolecule::ptr _mol)
{
  ASSERT (_mol,
      "GLWorldScene::moleculeInserted() - received shared_ptr for molecule is empty?");
  const ObservedValue_Index_t molid = _mol->getIndex();
  LOG(3, "INFO: GLWorldScene: Received signal moleculeInserted for molecule "
      << _mol->getMolIndex());

  boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);

  MoleculeNodeMap::const_iterator iter = MoleculesinSceneMap.find(molid);
  ASSERT( iter == MoleculesinSceneMap.end(),
      "GLWorldScene::moleculeInserted() - molecule's id "+toString(_mol->getMolIndex())
      +" already present.");

  // add new object
  LOG(1, "DEBUG: Adding GLMoleculeObject_molecule to id " << _mol->getMolIndex());
  GLMoleculeObject_molecule *molObject =
      new GLMoleculeObject_molecule(
          GLMoleculeObject::meshEmpty,
          this,
          *board,
          _mol);
  ASSERT( molObject != NULL,
      "GLWorldScene::moleculeInserted - could not create molecule object for "
      +toString(_mol->getMolIndex()));
#ifndef NDEBUG
  std::pair<MoleculeNodeMap::iterator, bool> inserter =
#endif
  MoleculesinSceneMap.insert( make_pair(molid, molObject) );
  ASSERT(inserter.second,
      "GLWorldScene::moleculeInserted() - molecule "+toString(_mol->getMolIndex())
      +" already present in scene.");

  // now handle all state changes that came up before the instantiation
  if (MoleculeMissedStateMap.count(molid) != 0) {
//      ASSERT( !MoleculeMissedStateMap[molid].empty(),
//          "GLWorldScene::moleculeInserted() - we have an empty state change map for molecule with id "
//          +toString(molid));
    boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
    for (StateChangeMap_t::iterator iter = MoleculeMissedStateMap[molid].begin();
        !MoleculeMissedStateMap[molid].empty();
        iter = MoleculeMissedStateMap[molid].begin()) {
      std::pair<StateChangeMap_t::iterator, StateChangeMap_t::iterator> rangeiter =
          MoleculeMissedStateMap[molid].equal_range(iter->first);
      const size_t StateCounts = std::distance(rangeiter.first, rangeiter.second);
      if (StateCounts > 1) {
        // more than one state change, have to combine
        typedef std::map<StateChangeType, size_t> StateChangeAmounts_t;
        StateChangeAmounts_t StateChangeAmounts;
        for (StateChangeMap_t::const_iterator stateiter = rangeiter.first;
            stateiter != rangeiter.second; ++stateiter)
          ++StateChangeAmounts[stateiter->second];
        // is it an atom?
        if ((StateChangeAmounts[atomInsertedState] + StateChangeAmounts[atomRemovedState]) != 0) {
          ASSERT( StateChangeAmounts[atomInsertedState] >= StateChangeAmounts[atomRemovedState],
              "GLWorldScene::moleculeInserted() - more atomRemoved states "
              +toString(StateChangeAmounts[atomRemovedState])+" than atomInserted "
              +toString(StateChangeAmounts[atomInsertedState])+" for atom "+toString(iter->first));
          if (StateChangeAmounts[atomInsertedState] > StateChangeAmounts[atomRemovedState]) {
            LOG(1, "INFO: invoking atomInserted for atom " << iter->first);
            QMetaObject::invokeMethod(molObject,        // pointer to a QObject
                                      "atomInserted",       // member name (no parameters here)
                                      Qt::QueuedConnection,     // connection type
                                      Q_ARG(QtObservedAtom::ptr, QtObservedAtomMap[iter->first]));     // parameters
          } else {
            LOG(1, "INFO: Atom " << iter->first << " has been inserted and removed already.");
          }
        }
        // or is it a bond?
        if ((StateChangeAmounts[bondInsertedState] + StateChangeAmounts[bondInsertedState]) != 0) {
          ASSERT( StateChangeAmounts[bondInsertedState] >= StateChangeAmounts[bondRemovedState],
              "GLWorldScene::moleculeInserted() - more bondRemoved states "
              +toString(StateChangeAmounts[bondRemovedState])+" than bondInserted "
              +toString(StateChangeAmounts[bondInsertedState])+" for bond "+toString(iter->first));
          if (StateChangeAmounts[bondInsertedState] > StateChangeAmounts[bondRemovedState]) {
            LOG(1, "INFO: invoking bondInserted for bond " << iter->first);
            QMetaObject::invokeMethod(molObject,        // pointer to a QObject
                                      "bondInserted",       // member name (no parameters here)
                                      Qt::QueuedConnection,     // connection type
                                      Q_ARG(QtObservedBond::ptr, QtObservedBondMap[iter->first]));     // parameters
          } else {
            LOG(1, "INFO: Bond " << iter->first << " has been inserted and removed already.");
          }
        }
        ASSERT( (StateChangeAmounts[bondInsertedState] + StateChangeAmounts[bondInsertedState]
            + StateChangeAmounts[atomInsertedState] + StateChangeAmounts[atomRemovedState]) != 0,
            "GLWorldScene::moleculeInserted() - state with no changes for "+toString(iter->first));
        // removed all state changes for this atom/bond
        MoleculeMissedStateMap[molid].erase(rangeiter.first, rangeiter.second);
      } else {
        // can only be an insertion
        switch (rangeiter.first->second) {
          case atomRemovedState:
            ASSERT( 0,
                "GLWorldScene::moleculeInserted() - atomRemoved state without atomInserted for atom "
                +toString(iter->first));
            break;
          case atomInsertedState:
          {
            LOG(1, "INFO: invoking atomInserted for atom " << iter->first);
            QMetaObject::invokeMethod(molObject,        // pointer to a QObject
                                      "atomInserted",       // member name (no parameters here)
                                      Qt::QueuedConnection,     // connection type
                                      Q_ARG(QtObservedAtom::ptr, QtObservedAtomMap[iter->first]));     // parameters
            break;
          }
          case bondRemovedState:
            ASSERT( 0,
                "GLWorldScene::moleculeInserted() - bondRemoved state without bondInserted for bond "
                +toString(iter->first));
            break;
          case bondInsertedState:
          {
            LOG(1, "INFO: invoking bondInserted for bond " << iter->first);
            QMetaObject::invokeMethod(molObject,        // pointer to a QObject
                                      "bondInserted",       // member name (no parameters here)
                                      Qt::QueuedConnection,     // connection type
                                      Q_ARG(QtObservedBond::ptr, QtObservedBondMap[iter->first]));     // parameters
            break;
          }
          default:
            ASSERT( 0,
                "GLWorldScene::moleculeInserted() - there are unknown change states.");
            break;
        }
        // removed state changes for this atom/bond
        MoleculeMissedStateMap[molid].erase(iter);
      }
    }
  }

  connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
  connect (molObject, SIGNAL(changeOccured()), this, SIGNAL(changeOccured()));
  connect (molObject, SIGNAL(atomClicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
  connect (molObject, SIGNAL(moleculeClicked(moleculeId_t)), this, SLOT(moleculeClicked(moleculeId_t)));
  connect (molObject, SIGNAL(moleculeEmptied(QtObservedMolecule::ptr)), this, SLOT(moleculeEmpty(QtObservedMolecule::ptr)));
  connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
  connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
  connect (molObject, SIGNAL(hoverChanged(const atomId_t)), this, SIGNAL(hoverChanged(const atomId_t)));
  connect (molObject, SIGNAL(hoverChanged(const moleculeId_t, int)), this, SIGNAL(hoverChanged(const moleculeId_t, int)));
  connect (molObject, SIGNAL(hoverChanged(const moleculeId_t, int)), this, SIGNAL(hoverChanged(const moleculeId_t, int)));

  emit changed();
  emit changeOccured();

  // remove state change map for the molecule
  {
    boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
    MoleculeMissedStateMap.erase(molid);
  }
}

/** Removes a molecule from the scene.
 *
 * @param _mol QtObservedMolecule instance of molecule to remove
 */
void GLWorldScene::moleculeRemoved(QtObservedMolecule* _mol)
{
  const ObservedValue_Index_t molid = _mol->getIndex();
  LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(molid)+".");

  boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);

  MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(molid);
  ASSERT ( iter != MoleculesinSceneMap.end(),
      "GLWorldScene::moleculeRemoved() - to be removed molecule "+toString(_mol->getMolIndex())
      +" is already gone.");
  // check if it's already empty
  const RemovedMoleculesMap_t::iterator emptyiter = EmptyMolecules.find(_mol);
  if (emptyiter != EmptyMolecules.end()) {
    LOG(1, "DEBUG: Removing empty GLMoleculeObject_molecule to id " << _mol->getMolIndex()
        << " from scene.");
    // it's already empty, remove it
    ASSERT( emptyiter->second == iter->second,
        "GLWorldScene::moleculeRemoved() - empty molecule "
        +toString(emptyiter->second)+" and removed molecule "
        +toString(iter->second)+" don't match.");
    LOG(1, "DEBUG: Deleting already empty GLMoleculeObject_molecule to id " << _mol->getMolIndex());
    GLMoleculeObject_molecule *molObject = emptyiter->second;
    EmptyMolecules.erase(emptyiter);
    molObject->disconnect();
    delete molObject;

    emit changed();
    emit changeOccured();
  } else {
    // otherwise note it as removal candidate
    RemovedMolecules.insert( std::make_pair(_mol, iter->second) );
  }
  MoleculesinSceneMap.erase(iter);

  // remove any possible state changes left
  {
    boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
    MoleculeMissedStateMap.erase(molid);
  }
}

void GLWorldScene::moleculeEmpty(QtObservedMolecule::ptr _mol)
{
  LOG(3, "INFO: GLWorldScene: Received signal moleculeEmpty for molecule "
      +toString(_mol->getMolIndex())+".");

  boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);

  const ObservedValue_Index_t molid = _mol->getIndex();
  MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(molid);
  if ( iter == MoleculesinSceneMap.end()) {
    RemovedMoleculesMap_t::iterator removeiter = RemovedMolecules.find(_mol.get());
    ASSERT ( removeiter != RemovedMolecules.end(),
        "GLWorldScene::moleculeEmpty() - to be removed molecule "+toString(_mol->getMolIndex())
        +" is neither in MoleculesinSceneMap, nor in RemovedMolecules.");
    // it's noted for removal already, remove it
    LOG(1, "DEBUG: Deleting empty GLMoleculeObject_molecule to id " << _mol->getMolIndex());
    GLMoleculeObject_molecule *molObject = removeiter->second;
    RemovedMolecules.erase(removeiter);
    molObject->disconnect();
    delete molObject;

    emit changed();
    emit changeOccured();
  } else {
    // otherwise just note it as empty
    EmptyMolecules.insert( std::make_pair(_mol.get(), iter->second) );
  }

//  // remove any possible state changes left
//  {
//    boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
//    MoleculeMissedStateMap.erase(molid);
//  }
}

void GLWorldScene::moleculesVisibilityChanged(ObservedValue_Index_t _id, bool _visible)
{
  boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);
  MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
  ASSERT( iter != MoleculesinSceneMap.end(),
      "GLWorldScene::moleculeInserted() - molecule's id "
      +toString(board->getMoleculeIdToIndex(_id))+" is unknown.");

  GLMoleculeObject_molecule *molObject = iter->second;
  molObject->setVisible(_visible);

  emit changed();
  emit changeOccured();
}

/** Adds a shape to the scene.
 *
 */
void GLWorldScene::addShape(const std::string &_name)
{
  Shape * const shape = ShapeRegistry::getInstance().getByName(_name);
  if (shape != NULL) {
    GLMoleculeObject_shape *shapeObject = new GLMoleculeObject_shape(*shape, this);
    ShapeNodeMap::iterator iter = ShapesinSceneMap.find(_name);
    ASSERT(iter == ShapesinSceneMap.end(),
        "GLWorldScene::addShape() - same shape "+_name+" added again.");
    ShapesinSceneMap.insert( make_pair(_name, shapeObject) );
  } else
    ELOG(2, "GLWorldScene::addShape() - shape disappeared before we could draw it.");

  emit changed();
}

void GLWorldScene::removeShape(const std::string &_name)
{
  ShapeNodeMap::iterator iter = ShapesinSceneMap.find(_name);
  ASSERT(iter != ShapesinSceneMap.end(),
      "GLWorldScene::removeShape() - shape "+_name+" not in scene.");
  ShapesinSceneMap.erase(iter);
  delete(iter->second);

  emit changed();
}

void GLWorldScene::updateSelectedShapes()
{
  foreach (QObject *obj, children()) {
    GLMoleculeObject_shape *shapeobj = qobject_cast<GLMoleculeObject_shape *>(obj);
      if (shapeobj){
        shapeobj->enable(ShapeRegistry::getInstance().isSelected(shapeobj->getShape()));
      }
  }

  emit changed();
}

void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
{
  // Initialize all of the mesh objects that we have as children.
   foreach (QObject *obj, children()) {
     GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
       if (meshobj)
         meshobj->initialize(view, painter);
   }
}

void GLWorldScene::draw(QGLPainter *painter, const QVector4D &cameraPlane) const
{
   // 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);
   }
}

void GLWorldScene::setSelectionMode(SelectionModeType mode)
{
  selectionMode = mode;
  // TODO send update to toolbar
}

void GLWorldScene::setSelectionModeAtom()
{
  setSelectionMode(SelectAtom);
}

void GLWorldScene::setSelectionModeMolecule()
{
  setSelectionMode(SelectMolecule);
}