JensKrumsieck/ChemSharp

namespace ChemSharp.Molecules.Mathematics;

public static class ChemMathUtil
{
    /// <summary>
    ///     See BondTo Method
    /// </summary>
    private const float Delta = 25f;

    /// <summary>
    ///     Tests if Atom is Bond to another based on distance!
    ///     allow uncertainty of <see cref="Delta" /> overall
    /// </summary>
    /// <param name="atom"></param>
    /// <param name="test"></param>
    /// <param name="delta"></param>
    /// <returns></returns>
    public static bool BondToByCovalentRadii(this Atom atom, Atom test, float delta = Delta)
    {
        var check = (atom.CovalentRadius + (float)test.CovalentRadius + delta) / 100f;
        return atom.DistanceToSquared(test) < check * check;
    }
}