using System; namespace Science.Physics.GeneralPhysics { /// /// Molecule /// public class Molecule { public Molecule() { } private double f, I; public double Frequency { get{return f;} set{f=value;} } public double MomentOfInertia { get{return I;} set{I=value;} } private int n, J; public int VibrationalQuantumNumber { get{return n;} set{n=value;} } public int RotationalQuantumNumber { get{return J;} set{J=value;} } public double VibrationalEnergy { get{return (n+0.5)*Constant.PlankConstant*f;} } public double RotationalEnergy { get { return Constant.PlankConstant*Constant.PlankConstant /2.0/Math.PI/2.0/Math.PI/2.0/I*J*(J+1.0); } } public double TotalEnergy { get{return this.VibrationalEnergy+this.RotationalEnergy;} } } }