search

cctbx / dxtbx

Diffraction Experiment Toolbox
BSD 3-Clause "New" or "Revised" License
2 stars 12 forks source link

Setting `geometry.goniometer.axis=` for a multi-axis goniometer should be disallowed #729

Closed dagewa closed 2 months ago

dagewa commented 2 months ago

Discovered along with https://github.com/dials/dials/issues/2656.

When importing a multi-axis goniometer model the user may want to override the rotation axis in the usual way:

dials.import exp_706/frames/*.rodhypix\
    geometry.goniometer.axis=0.0488498,-0.998806,0 # about 2.8° off "vertical"

However this will silently fail. For a multi-axis goniometer, all elements of geometry.goniometer.axes must be set, not just a single axis. I think an attempt to set axis should fail with an error.