Changes in src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp [9eb71b3:897a01]

File:

• src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified) (7 diffs)

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

@@ -50 +50 @@
 #include "Element/element.hpp"
 #include "Element/periodentafel.hpp"
+#include "LinearAlgebra/Line.hpp"
 #include "LinearAlgebra/Vector.hpp"
 #include "UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp"
@@ -57 +58 @@
 GLMoleculeObject_atom::GLMoleculeObject_atom(
     QGLSceneNode *mesh[],
+    QGLSceneNode *mesharrow[],
     QObject *parent,
     QtObservedAtom::ptr &_ObservedAtom) :
   GLMoleculeObject(mesh, parent),
+  GLMoleculeObjectVelocity(mesharrow, this),
+  GLMoleculeObjectForce(mesharrow, this),
   ObservedAtom(_ObservedAtom)
 {
@@ -69 +73 @@
   setObjectId(_id);
   resetPosition();
+  resetVelocity();
+  resetForce();
   resetElement();
+
+  GLMoleculeObjectVelocity.setMaterial(GLMoleculeObject::m_velocityMaterial);
+  GLMoleculeObjectForce.setMaterial(GLMoleculeObject::m_forceMaterial);
 
   m_selected = ObservedAtom->getAtomSelected();
@@ -77 +86 @@
   connect( ObservedAtom.get(), SIGNAL(elementChanged()), this, SLOT(resetElement()));
   connect( ObservedAtom.get(), SIGNAL(positionChanged()), this, SLOT(resetPosition()));
+  connect( ObservedAtom.get(), SIGNAL(velocityChanged()), this, SLOT(resetVelocity()));
+  connect( ObservedAtom.get(), SIGNAL(forceChanged()), this, SLOT(resetForce()));
   connect( ObservedAtom.get(), SIGNAL(selectedChanged()), this, SLOT(resetSelected()));
 }
@@ -95 +106 @@
 }
 
+static void setArrow(
+    const Vector &_position,
+    const Vector &_arrow,
+    const double _offset,
+    GLMoleculeObject &_obj)
+{
+  // set position (cylinder offset is in its barymetric center)
+  Vector OneFourth(_position + (_offset/_arrow.Norm()+.75) * _arrow);
+  _obj.setPosition(QVector3D(OneFourth[0], OneFourth[1], OneFourth[2]));
+}
+
 void GLMoleculeObject_atom::resetPosition()
 {
@@ -100 +122 @@
   LOG(4, "INFO: GLMoleculeObject_atom::resetPosition() - new position is "+toString(Position)+".");
   setPosition(QVector3D(Position[0], Position[1], Position[2]));
+  setArrow(Position, 10.*ObservedAtom->getAtomVelocity(), scaleX(), GLMoleculeObjectVelocity);
+  setArrow(Position, 10.*ObservedAtom->getAtomForce(), scaleX(), GLMoleculeObjectForce);
+}
+
+static void alignArrow(
+    const Vector &_arrow,
+    GLMoleculeObject &_obj)
+{
+  if (_arrow.IsZero()) {
+    _obj.setScaleZ(0.);
+    return;
+  }
+  // calculate position
+  Vector Z(unitVec[2]); // cylinder are initially aligned along the Z axis
+  Vector b;
+  Vector OtherAxis;
+  double alpha;
+  // construct rotation axis
+  b = -1.*_arrow;
+  b.VectorProduct(Z);
+  Line axis(zeroVec, b);
+  // calculate rotation angle
+  alpha = _arrow.Angle(Z);
+  // construct other axis to check right-hand rule
+  OtherAxis = b;
+  OtherAxis.VectorProduct(Z);
+  // assure right-hand rule for the rotation
+  if (_arrow.ScalarProduct(OtherAxis) < MYEPSILON)
+    alpha = M_PI-alpha;
+  // check
+  Vector a_rotated = axis.rotateVector(_arrow, alpha);
+  LOG(5, "DEBUG: Aligning arrow " << _arrow << " to " << a_rotated
+      << " around " << b << " by " << alpha/M_PI*180. << ".");
+
+  _obj.setScaleZ(10.*_arrow.Norm());
+  _obj.setRotationVector(QVector3D(b[0], b[1], b[2]));
+  _obj.setRotationAngle(alpha/M_PI*180.);
+}
+
+void GLMoleculeObject_atom::resetVelocity()
+{
+  const Vector Velocity = ObservedAtom->getAtomVelocity();
+  LOG(4, "INFO: GLMoleculeObject_atom::resetVelocity() - new velocity is "+toString(Velocity)+".");
+  alignArrow(Velocity, GLMoleculeObjectVelocity);
+//  GLMoleculeObjectForce.setScaleZ(Velocity.Norm());
+}
+
+void GLMoleculeObject_atom::resetForce()
+{
+  const Vector Force = ObservedAtom->getAtomForce();
+  LOG(4, "INFO: GLMoleculeObject_atom::resetForce() - new force is "+toString(Force)+".");
+  alignArrow(Force, GLMoleculeObjectForce);
+//  GLMoleculeObjectForce.setScaleZ(Force.Norm());
 }
 
@@ -144 +219 @@
   // call old hook to do the actual paining
   GLMoleculeObject::draw(painter, cameraPlane);
+  GLMoleculeObjectVelocity.draw(painter, cameraPlane);
+  GLMoleculeObjectForce.draw(painter, cameraPlane);
 }