fix: validate isotherm units and update the roadmap - #18
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tdpham2
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September 5, 2026 12:35
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Single-isotherm parsing currently combines bar and Pa without conversion and can merge different temperatures or uptake units into a single mislabeled curve.
Normalize pressures to the first recognized pressure unit before sorting. Reject mixed temperatures, incompatible uptake/heat units, and duplicate physical pressures after conversion. Preserve existing homogeneous data behavior, result keys, and missing-heat handling.
Update the README and roadmap using the existing draft roadmap, preserving the MOFforge/MatKit/ChemGraph ownership boundary. The next sequence is real-engine reference evidence, the charge-result handoff and scripted workflow, then recovery/scaling and optional integrations. The related engine and result-contract fixes are tracked independently in #16 and #17; no new scientific capability is promoted.
Validation: 84 isotherm/plot tests passed, 1 skipped; source lint, formatting, and diff checks passed. The combined three-fix wheel suite passed 393 tests with 1 skipped outside the checkout; sdist and wheel builds passed. Real-engine validation remains pending.