private void RemoveHydrogenConstraints(IndigoObject mol)
{
// all this typically < 0.1 msec
List <int> HList = new List <int>();
foreach (IndigoObject atom in mol.iterateAtoms())
{
atom.removeConstraints("hydrogens"); // critical !!
if (atom.atomicNumber() == 1)
{
HList.Add(atom.index());
}
}
mol.removeAtoms(HList); // e.g. to make -n[H]- substructure of -n[C]-
}
