Nothing constrained the tilted geometry. Every existing test is either
self-consistent or moves one angle at a time, and every file CI writes has zero
tilt - where a swapped axis, a reversed composition order and a wrong pivot all
give exactly the same answer. Two real bugs lived in that gap.
Two checks, because there are two things to guard.
DiffractionGeometry_Tilted_vs_PyFAI_and_DIALS pins the model itself: all three
PONI angles non-zero and of mixed sign, compared per pixel against reference
positions from pyFAI (an independent implementation of the convention) and from
DIALS, to 2 um. Because the references are quoted in their own frames and the
test applies the documented mappings - pyFAI (t1,t2,t3) -> our (x,y,z), and
imgCIF = ours turned 180 degrees about x - it pins those relations too, not just
the arithmetic. The comment gives the snippets to regenerate both sets.
tests/nxmx_geometry_dials_test.py guards the writer, which is where the bugs
actually were and which the unit test cannot reach. CI writes a master, patches
the geometry in and asks DIALS where the panel is. Only the angle VALUES are
patched; the axis vectors, the depends_on chain and the pivot stay as the writer
emitted them, so they remain under test. Verified to fail on the pre-fix
encoding: 7.3 mm, exit 1, naming the chain as the thing to look at.
Recorded in both, because it cost an hour: compare via get_origin() and the
fast/slow axes, NOT get_pixel_lab_coord(), which applies a parallax correction
from the sensor thickness that Jungfraujoch does not model - about 0.1 mm at the
detector edge, easily mistaken for a geometry error.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
leonarski_fandClaude Opus 5
659ba0d5b9
