feat(properties): prefer atmospheric BP; mark pressure when non-standard - #63
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…t standard The BP parser took the median of all readings, so a compound listed only at reduced pressure (geraniol: 125 °C @ ~12 mmHg) reported a misleadingly low value. Now it: - PREFERS an atmospheric (~700–820 mmHg) reading when one exists (geraniol -> 230 °C); - when only reduced/elevated-pressure data exists, reports the highest-pressure reading AND its pressure, so the value stays honest rather than silently wrong. Adds a `boiling_point_pressure_mmhg` column (None/NaN when atmospheric); predict.py reads it; the workbench shows "BP °C (at N mmHg)" when non-standard. Verified: geraniol 230, vanillin 285, limonene 178; honest None when PubChem has no usable BP. Signed-off-by: Austin L. <86896075+rvnminers-A-and-N@users.noreply.github.com>
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Fixes the geraniol-type caveat you flagged, and keeps non-standard data instead of dropping it (with its conditions marked).
Parser change
The BP parser took the median of all readings, so a compound PubChem lists only at reduced pressure (geraniol: ~125 °C @ ~12 mmHg) reported a misleadingly low value. Now it:
Schema + surfacing
boiling_point_pressure_mmhgcolumn (None when atmospheric).predict.pyreads it; the workbench shows "BP °C (at N mmHg)" when non-standard.Nonewhen PubChem has no usable BP.The volatiles table is being re-crawled with the corrected parser now.