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Improve implementations of new bond formations between Ports #42

@timbernat

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@timbernat
  • bonding.substitution : implement capping such that newly-inserted atoms in cap groups are appended to the list of atom ids, rather than mixed in (i.e. reimplement hydrogenate_mol_ports and saturate_ports to preserve initial atom order via Chem.rdmolops.RenumberAtoms)
  • Re-implement increase_bond_order to change bond in "one-shot" (rather than by iterating single-order upconversions). This would remove the need to relocate atom IDs by map number after each upconversion and would simplify sanitization

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