JensKrumsieck/ChemSharp

using Nodo;

namespace ChemSharp.Molecules;

public sealed class Bond : Edge<Atom>
{
    private Atom[]? _atoms;

    /// <summary>
    ///     Indicates whether bond is aromatic
    /// </summary>
    public bool IsAromatic = false;

    /// <summary>
    ///     Bond order, not supported by all file types
    /// </summary>
    public int Order = 1;

    public Bond(Atom source, Atom target) : base(source, target) { }
    public Atom Atom1 => Source;
    public Atom Atom2 => Target;

    /// <summary>
    ///     Gets Bond Length
    /// </summary>
    public float Length => Atom1.DistanceTo(Atom2);

    /// <summary>
    ///     Returns Atoms as List to do LINQ
    /// </summary>
    public Atom[] Atoms => _atoms ??= new[] {Atom1, Atom2};

    public override string ToString() => $"{Atom1.Title} - {Atom2.Title} : {Length}";
}