public static IAtom GetMostElectronegativeAtom(this IAtomContainer mol)
{
if (mol == null || !mol.Atoms.Any() || !mol.Bonds.Any())
{
return(null);
}
IAtom atomOut = null;
foreach (var bond in mol.Bonds)
{
var contender = bond.GetMostElectronegativeAtom();
var num = contender?.Electronegativity() ?? 0D;
var cur = atomOut?.Electronegativity() ?? 0D;
if (num > cur)
{
atomOut = contender;
}
}
return(atomOut);
}