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fix: the six minor findings of the YAML study review - #30
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- a missing study file, or a product or studied species that is not one name, is reported as an invalid study instead of a traceback - the studied species cannot be the product - when every Ea fit is skipped, the run stops with a clear message instead of KeyError 'c0(...)', and nothing empty is cached - check prints the negative-barrier warnings and overall ΔG for typed energies, and warns about typed energies no step uses - a species name starting with "via" is no longer misread - a re-run that reuses the barrier tables prints the same warnings and ΔG Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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Fixes the six minor findings left from the final review of #28. Each has a test that failed before the fix.
product: [P]orstudied_species: [S]crash with a tracebacktest_missing_file_is_a_study_error,test_product_and_studied_species_must_be_namestest_studied_species_cannot_be_the_productKeyError: 'c0(S)'test_flux_sign_handlingcheckmisses warnings thatrungivescheckprints negative-barrier warnings and ΔG for typed energies; typed energies no step uses are a warningtest_check_shows_typed_energy_warnings,test_unused_typed_energy_is_a_warningtest_species_name_starting_with_viatest_rerun_reports_the_same_messagesdocs/USAGE.mddocuments the new message and warnings. All 13 test files pass; ruff 0.16.10 is clean; both examples passcheck.🤖 Generated with Claude Code