Closed stestoll closed 10 months ago
Thanks! I fixed the docs. The test resfields_frames
passes on my computer, with an error of 5e-14. I'll fix the lab frame definition for the superconducting magnet after the merge. An additional example for Exp.Ordering is a good idea, I'll add that after the merge.
This changes the way a sample orientation is defined in the lab frame (see issue #245). This makes the frame interface more consistent (lab -> sample -> mol -> tensor instead of lab <- sample -> mol -> tensor).
Main tasks:
Exp.CrystalOrientation
toExp.SampleFrame
Exp.CrystalOrientation
defines crystal -> lab frame transformation,Exp.SampleFrame
defines lab -> crystal frame transformation)List of additional necessary updates , changes and checks:
Functions:
Exp.MolFrame
andExp.SampleFrame
Exp.SampleRotation
Exp.CrystalSymmetry
)Exp.MolFrame
,Exp.CrystalSymmetry
andExp.Ordering
in all sim functionsExp.Orientations
andExp.CrystalOrientation
consistently across all sim functionslevelsplot
- currently needs phi/theta inputPartial ordering:
Exp.Ordering
angle definition to conform withExp.MolFrame
Documentation:
Examples:
triplet_crystal_spinpolarization
)Downstream:
Exp.SampleRotation
- decision: keeping itrotplane
- decision: removing itExp.Ordering
intoExp.MolFrame
- decision: keeping it, not to overload MolFrame