/// <summary>
/// Clear all transient properties assigned by this class. Assigned charges
/// and atom type names remain set.
/// </summary>
/// <param name="mol">molecule</param>
public virtual void ClearProps(IAtomContainer mol)
{
mol.RemoveProperty(MMFF_EDGEMAP_CACHE);
mol.RemoveProperty(MMFF_ADJLIST_CACHE);
foreach (var bond in mol.Bonds)
{
bond.RemoveProperty(MMFF_AROM);
}
}
