Enable electrochem auto-selection for charged reactive species

[Copilot]

auto library selection currently enables electrochemistry only via ELECTROCHEM_ELEMENTS (currently Li), so charged CO2RR inputs can miss electrochem libraries/families. This change broadens detection to include ionic chemistry while preserving existing element-based behavior.

• Detection logic (rmgpy/data/auto_database.py)

  • In detect_chemistry(), mark has_electrochem when any reactive initial species has non-zero net charge.
  • Preserve current Li-trigger path and combine both signals so charge-based detection is not overwritten later.

• Behavioral invariant

  • has_electrochem is now true if either condition is true:
    1. at least one reactive species is charged, or
    2. an electrochem trigger element is present (ELECTROCHEM_ELEMENTS).

• Targeted coverage (test/rmgpy/data/autoDatabaseTest.py)

  • Added case for charged-species trigger ([H+]).
  • Added explicit case retaining legacy element trigger ([Li]).

# detect_chemistry() core change
if mol.get_net_charge() != 0:
    profile.has_electrochem = True

profile.has_electrochem = (
    profile.has_electrochem
    or bool(profile.elements_present & ELECTROCHEM_ELEMENTS)
)

[rwest]

Looks good to me, but it's doing exactly what I told it to do in the prompt, so I'm not an independent reviewer. Someone else should approve.

[JacksonBurns]

Makes sense to me!