serialize_exploded
serialize_exploded()
Builds the atom-level serialized form (isomer-insensitive). Each species is replaced by its Specie.serialized form (e.g. H2O+ → "+/H/H/O"), then species tokens are sorted and joined with ".". Reactants and products are separated by "__".
Returns
- str
- Atom-level canonical key, e.g.
"+/H/H/O.H__+/H.H/H/O"forH + H2O+ -> H2O + H+.