fix: skip ionization when no ions would be added - #44
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When concentration is 0 and neutralize is false, ionize() was still called with empty ion counts and MDAnalysis raised ValueError on merging empty AtomGroups. Return the solvated universe unchanged. Fixes emdgroup#42
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Summary
ionize_solvated_systemcalledionize()even whenconcentration=0.0andneutralize=False, so both ion counts were zero. MDAnalysis then tried to merge empty cation/anion AtomGroups and raisedValueError: cannot merge empty AtomGroup.Return the solvated universe unchanged (and an empty species list) when no ions would be added — same outcome as
ion_config is None.Test plan
pytest mdfactory/tests/test_solvation.py::test_ionize_solvated_system_skips_when_no_ions --no-covpytest mdfactory/tests/test_solvation.py --no-cov(4 passed)Fixes #42