Molecule2 molecule2Creator(Atom atom1, Atom atom2, double bondLength)
{
Molecule2 molecule = new Molecule2();
molecule.bondLength = bondLength;
atom2.position = atom1.position;
atom2.position.X += bondLength;
if (atom2.position.X > size.X)
{
atom2.position.X -= 2 * bondLength;
}
return(molecule);
}
void Molecule2Computer(Molecule2 molecule)
{
molecule.position = AddVector(molecule.position, ScalarMultiple(timeIncrement, molecule.velocity));
double reducedMass;
reducedMass = molecule.atom1.mass * molecule.atom2.mass / molecule.mass;
Dvector r = ScalarMultiple(molecule.atom1.mass / molecule.mass, AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
molecule.interiaTensor[0, 0] = (Math.Pow(molecule.position.Y - molecule.atom1.position.Y, 2) + Math.Pow(molecule.position.Z - molecule.atom1.position.Z, 2)) * molecule.atom1.mass
+ (Math.Pow(molecule.position.Y - molecule.atom2.position.Y, 2) + Math.Pow(molecule.position.Z - molecule.atom2.position.Z, 2)) * molecule.atom2.mass;
molecule.interiaTensor[1, 1] = (Math.Pow(molecule.position.X - molecule.atom1.position.X, 2) + Math.Pow(molecule.position.Z - molecule.atom1.position.Z, 2)) * molecule.atom1.mass
+ (Math.Pow(molecule.position.X - molecule.atom2.position.X, 2) + Math.Pow(molecule.position.Z - molecule.atom2.position.Z, 2)) * molecule.atom2.mass;
molecule.interiaTensor[2, 2] = (Math.Pow(molecule.position.X - molecule.atom1.position.X, 2) + Math.Pow(molecule.position.Y - molecule.atom1.position.Y, 2)) * molecule.atom1.mass
+ (Math.Pow(molecule.position.X - molecule.atom2.position.X, 2) + Math.Pow(molecule.position.Y - molecule.atom2.position.Y, 2)) * molecule.atom2.mass;
molecule.interiaTensor[1, 0] = (molecule.position.X - molecule.atom1.position.X) * (molecule.atom1.position.Y - molecule.position.Y) * molecule.atom1.mass + (molecule.position.X - molecule.atom2.position.X) * (molecule.atom2.position.Y - molecule.position.Y) * molecule.atom2.mass;
molecule.interiaTensor[2, 0] = (molecule.position.X - molecule.atom1.position.X) * (molecule.atom1.position.Z - molecule.position.Z) * molecule.atom1.mass + (molecule.position.X - molecule.atom2.position.X) * (molecule.atom2.position.Z - molecule.position.Z) * molecule.atom2.mass;
molecule.interiaTensor[2, 1] = (molecule.position.Y - molecule.atom1.position.Y) * (molecule.atom1.position.Z - molecule.position.Z) * molecule.atom1.mass + (molecule.position.Y - molecule.atom2.position.Y) * (molecule.atom2.position.Z - molecule.position.Z) * molecule.atom2.mass;
molecule.interiaTensor[0, 1] = molecule.interiaTensor[1, 0];
molecule.interiaTensor[0, 2] = molecule.interiaTensor[2, 0];
molecule.interiaTensor[1, 2] = molecule.interiaTensor[2, 1];
if (molecule.atom1.position.X > size.X || molecule.atom1.position.X < 0)
{
molecule.atom1.velocity.X = -molecule.atom1.velocity.X;
molecule.velocity.X += molecule.atom1.velocity.X * 2 * (molecule.atom1.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom1.velocity.X / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom1.position.Y > size.Y || molecule.atom1.position.Y < 0)
{
molecule.atom1.velocity.Y = -molecule.atom1.velocity.Y;
molecule.velocity.Y += molecule.atom1.velocity.Y * 2 * (molecule.atom1.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom1.velocity.Y / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom1.position.Z > size.Z || molecule.atom1.position.Z < 0)
{
molecule.atom1.velocity.Z = -molecule.atom1.velocity.Z;
molecule.velocity.Z += molecule.atom1.velocity.Z * 2 * (molecule.atom1.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom1.velocity.Z / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom2.position.X > size.X || molecule.atom2.position.X < 0)
{
molecule.atom2.velocity.X = -molecule.atom2.velocity.X;
molecule.velocity.X += molecule.atom2.velocity.X * 2 * (molecule.atom2.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom2.velocity.X / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom2.position.Y > size.Y || molecule.atom2.position.Y < 0)
{
molecule.atom2.velocity.Y = -molecule.atom2.velocity.Y;
molecule.velocity.Y += molecule.atom2.velocity.Y * 2 * (molecule.atom2.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom2.velocity.Y / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom2.position.Z > size.Z || molecule.atom2.position.Z < 0)
{
molecule.atom2.velocity.Z = -molecule.atom2.velocity.Z;
molecule.velocity.Z += molecule.atom2.velocity.Z * 2 * (molecule.atom2.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom2.velocity.Z / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
foreach (Atom atom in atoms)
{
if (molecule.atom1 != atom && AbsVect(AddVector(atom.position, ScalarMultiple(-1, molecule.atom1.position))) < atom.radius + molecule.atom1.radius)
{
Collision(molecule.atom1, atom);
molecule.angularVelocity = Crossproduct(AddVector(molecule.atom1.velocity, ScalarMultiple(-1, molecule.atom2.velocity)), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom2 != atom && AbsVect(AddVector(atom.position, ScalarMultiple(-1, molecule.atom2.position))) < atom.radius + molecule.atom2.radius)
{
Collision(molecule.atom2, atom);
molecule.angularVelocity = Crossproduct(AddVector(molecule.atom1.velocity, ScalarMultiple(-1, molecule.atom2.velocity)), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
}
molecule.angularVelocity = Crossproduct(AddVector(molecule.atom2.velocity, ScalarMultiple(-1, molecule.atom1.velocity)), AddVector(molecule.atom2.velocity, ScalarMultiple(-1, molecule.atom1.velocity)));
molecule.AngularMomentum.X = molecule.interiaTensor[0, 0] * molecule.angularVelocity.X + molecule.interiaTensor[0, 1] * molecule.angularVelocity.Y + molecule.interiaTensor[0, 2] * molecule.angularVelocity.Z;
molecule.AngularMomentum.Y = molecule.interiaTensor[1, 0] * molecule.angularVelocity.X + molecule.interiaTensor[1, 1] * molecule.angularVelocity.Y + molecule.interiaTensor[1, 2] * molecule.angularVelocity.Z;
molecule.AngularMomentum.Z = molecule.interiaTensor[2, 0] * molecule.angularVelocity.X + molecule.interiaTensor[2, 1] * molecule.angularVelocity.Y + molecule.interiaTensor[2, 2] * molecule.angularVelocity.Z;
}
void Molecule2ComputerDelegate(object Molecule2Delegate)
{
Molecule2 molecule = (Molecule2)Molecule2Delegate;
Molecule2Computer(molecule);
}