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Geometry module and orix interface #272
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Added
ImageD11.sinograms.geometry
Should partially address #269 although some tasks are still outstanding
Added
orix
interface tounitcell
classunitcell.orix_phase
is now a property ofunitcell
if it was created with an integer spacegroup symmetry.unitcell.get_orix_orien()
- computes theorix
orientation from a provided numpy array ofUB
matrices. Note that this can be more than oneUB
matrix! - theorix
orientation class can contain multiple orientations.unitcell.get_ipf_colour_from_orix_orien()
- computes the IPF colour from an orix orientation given a corresponding axisunitcell.get_ipf_colour()
- computes the IPF colour from a numpy array ofUB
matricesgrain
objects now have aref_unitcell
property to supply aunitcell
class instancegrain
objects have helper methods for gettingorix_phase
andorix_orien
fromgrain.ref_unitcell
orix
interface intest/test_orix.py
- should not break CI as will be skipped on Py2nb_utils.py
to use new orix interface - much faster and more reliable now!sandbox/orix/test_pole_figures.ipynb
orix
anddiffpy.structure
as'useful'
dependencies insetup.py
forpython_version >= "3"
It's not all sunshine and roses though - unfortunately I've been unable to get a unit test to work with a large strain between
B
(e.g theB
matrix of a measured grain) andB0
(the B matrix used by the reference unit cell). I think the problem is that with large strains, there is a significant angle between [a*
of theB0
matrix in the lab frame] and [a*
of theB
matrix in the lab frame]. I will make a separate issue to track this once merged.