source: src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp@ 49c965

/*
 * Project: MoleCuilder
 * Description: creates and alters molecular systems
 * Copyright (C)  2010-2012 University of Bonn. All rights reserved.
 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
 */

/*
 * GLMoleculeObject_bond.cpp
 *
 *  Created on: Aug 17, 2011
 *      Author: heber
 */

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

#include "GLMoleculeObject_bond.hpp"

#include <Qt3D/qglmaterial.h>
#include <Qt3D/qglscenenode.h>

#include "CodePatterns/MemDebug.hpp"

#include <cmath>

#include "CodePatterns/Assert.hpp"
#include "CodePatterns/Log.hpp"
#include "CodePatterns/Observer/Notification.hpp"
#include "Atom/atom.hpp"
#include "Bond/bond.hpp"
#include "Element/element.hpp"
#include "Helpers/defs.hpp"
#include "LinearAlgebra/Line.hpp"
#include "LinearAlgebra/Vector.hpp"

GLMoleculeObject_bond::GLMoleculeObject_bond(QGLSceneNode *mesh, QObject *parent, const bond *bondref, const enum SideOfBond side) :
  GLMoleculeObject(mesh, parent),
  Observer(std::string("GLMoleculeObject_bond")
      +toString(bondref->leftatom->getId())
      +std::string("-")
      +toString(bondref->rightatom->getId())),
  _bond(bondref),
  BondSide(side)
{
  // sign on as observer (obtain non-const instance before)
  _bond->signOn(this, BondObservable::BondRemoved);
  _bond->leftatom->signOn(this, AtomObservable::PositionChanged);
  _bond->rightatom->signOn(this, AtomObservable::PositionChanged);

  size_t elementno = 0;
  switch (BondSide) {
    case left:
      if (_bond->leftatom->getType() != NULL) {
        elementno = _bond->leftatom->getType()->getAtomicNumber();
      } else { // if not element yet set, set to hydrogen
        elementno = 1;
      }
      break;
    case right:
      if (_bond->rightatom->getType() != NULL) {
        elementno = _bond->rightatom->getType()->getAtomicNumber();
      } else { // if not element yet set, set to hydrogen
        elementno = 1;
      }

      break;
    default:
      ASSERT(0,
          "GLMoleculeObject_bond::GLMoleculeObject_bond() - side is not a valid argument: "+toString(BondSide)+".");
      break;
  }

  QGLMaterial *elementmaterial = getMaterial(elementno);
  setMaterial(elementmaterial);

  resetPosition();
}

GLMoleculeObject_bond::~GLMoleculeObject_bond()
{
  // sign on as observer (obtain non-const instance before)
  if (_bond){
    _bond->signOff(this, BondObservable::BondRemoved);
    _bond->leftatom->signOff(this, AtomObservable::PositionChanged);
    _bond->rightatom->signOff(this, AtomObservable::PositionChanged);
    LOG(2, "INFO: Destroying  GLMoleculeObject_bond to bond " << *_bond << " and side " << BondSide << ".");
  }else{
    LOG(2, "INFO: Destroying  GLMoleculeObject_bond (bond already killed).");
  }
}

void GLMoleculeObject_bond::update(Observable *publisher)
{
#ifdef LOG_OBSERVER
  observerLog().addMessage() << "++ Update of Observer " << observerLog().getName(this) << " from bond " << *_bond << ".";
#endif
}

void GLMoleculeObject_bond::subjectKilled(Observable *publisher)
{
  LOG(2, "INFO: Received subjectKilled from " << *_bond << ".");
  switch (BondSide) {
    case left:
      emit BondRemoved(_bond->leftatom->getId(), _bond->rightatom->getId());
      break;
    case right:
      emit BondRemoved(_bond->rightatom->getId(), _bond->leftatom->getId());
      break;
    default:
      ASSERT(0,
          "GLMoleculeObject_bond::subjectKilled() - side is not a valid argument: "+toString(BondSide)+".");
      break;
  }

  // Don't let the destructor automatically sign off from a dead bond!
  _bond->leftatom->signOff(this, AtomObservable::PositionChanged);
  _bond->rightatom->signOff(this, AtomObservable::PositionChanged);
  _bond = NULL;
  delete this;
}

void GLMoleculeObject_bond::recieveNotification(Observable *publisher, Notification_ptr notification)
{
#ifdef LOG_OBSERVER
  observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
      << " received notification from bond " << *_bond << " for channel "
      << notification->getChannelNo() << ".";
#endif
  if (publisher == dynamic_cast<const Observable*>(_bond)){
    // from the bond
    switch (notification->getChannelNo()) {
      case BondObservable::BondRemoved:
        LOG(2, "INFO: Received notification of BondRemoved from " << *_bond << ".");
        switch (BondSide) {
          case left:
            emit BondRemoved(_bond->leftatom->getId(), _bond->rightatom->getId());
            break;
          case right:
            emit BondRemoved(_bond->rightatom->getId(), _bond->leftatom->getId());
            break;
          default:
            ASSERT(0,
                "GLMoleculeObject_bond::recieveNotification() - side is not a valid argument: "+toString(BondSide)+".");
            break;
        }

        // Don't let the destructor automatically sign off from a dead bond!
        _bond->leftatom->signOff(this, AtomObservable::PositionChanged);
        _bond->rightatom->signOff(this, AtomObservable::PositionChanged);
        _bond = NULL;
        delete this;
        break;
          default:
            break;
    }
  }else{
    // from an atom
    switch (notification->getChannelNo()) {
      case AtomObservable::PositionChanged:
        LOG(2, "INFO: Received notification of PositionChanged.");
        resetPosition();
        emit changed();
    }
  }
}

void GLMoleculeObject_bond::resetPosition()
{
  Vector Position;
  Vector OtherPosition;
  switch (BondSide) {
    case left:
      Position = _bond->leftatom->getPosition();
      OtherPosition = _bond->rightatom->getPosition();
      break;
    case right:
      Position = _bond->rightatom->getPosition();
      OtherPosition = _bond->leftatom->getPosition();
      break;
    default:
      ASSERT(0,
          "GLMoleculeObject_bond::resetPosition() - side is not a valid argument: "+toString(BondSide)+".");
      break;
  }
  const double distance =
      Position.distance(OtherPosition)/2.;
  setScaleZ(distance);

  // calculate position
  Vector Z(0.,0.,1.);
  Vector zeroVec(0.,0.,0.);
  Vector a,b;
  Vector OtherAxis;
  double alpha;
  a = Position - OtherPosition;
  // construct rotation axis
  b = a;
  b.VectorProduct(Z);
  Line axis(zeroVec, b);
  // calculate rotation angle
  alpha = a.Angle(Z);
  // construct other axis to check right-hand rule
  OtherAxis = b;
  OtherAxis.VectorProduct(Z);
  // assure right-hand rule for the rotation
  if (a.ScalarProduct(OtherAxis) < MYEPSILON)
    alpha = M_PI-alpha;
  // check
  Vector a_rotated = axis.rotateVector(a, alpha);
  LOG(3, "INFO: Created cylinder from "// << Position << " to " << OtherPosition
      << a << " to " << a_rotated << " around " << b << " by " << alpha/M_PI*180. << ", respectively.");

  // set position
  setPosition(QVector3D(Position[0], Position[1], Position[2]));
  setRotationVector(QVector3D(b[0], b[1], b[2]));
  setRotationAngle(alpha/M_PI*180.);
}