2023-03-14 - version 0.11.1#
Initialization of a crystal map with a phase list with fewer phases than in the phase ID array given returns a map with a new phase list with correct phase IDs.
2023-02-09 - version 0.11.0#
Creation of one or more
Quaternion(or instances of inheriting classes) from one or more SciPy
Creation of one
Rotationby aligning sets of vectors in two reference frames, one
Orientationby aligning sets of sample vectors and crystal vectors, and one
Misorientationby aligning two sets of crystal vectors in two different crystals.
CrystalMapgiving the row and column coordinate of each map point given by
to_matrix()are now available from the
Quaternionclass as well.
StereographicPlot.restrict_to_sector()allows two new parameters to control the amount of padding (in degrees in stereographic projection) and whether to show the sector edges. Keyword arguments can also be passed on to Matplotlib’s
Option to pass degrees to the
Option to get degrees from all
angle_with_outer()methods by passing
Option to pass degrees to the
Option to pass degrees to the
Option to get spherical coordinates from
InverseStereographicProjection.xy2spherical()in degrees or pass them as degrees to
Bumped minimal version of
diffpy.structure >= 3.0.2.
Only ASTAR .ang files return crystal maps with
"nm"as scan unit.
zwhen creating a
dzattributes of the class were deprecated in 0.10.1 and are now removed.
step_sizeswith three values to
create_coordinate_arrays()was depreacted in 0.10. and will now raise an error.
CrystalMapPlot.plot_map()was depreacted in 0.10.1 and will now raise an error if passed.
dzdatasets are not present in new orix HDF5 files. They are not read if present in older files.
Reading of EDAX TSL .ang files with ten columns should now work.
2022-10-25 - version 0.10.2#
Miller.symmetrise(unique=True)returns the correct number of symmetrically equivalent but unique vectors, by rounding to 10 instead of 12 decimals prior to finding the unique vectors with NumPy.
Unique rotations and vectors are now found by rounding to 10 instead of 12 decimals.
2022-10-03 - version 0.10.1#
zwhen creating a
dzattributes of the class are deprecated and will be removed in 0.11.0. Support for 3D crystal maps is minimal and brittle, and it was therefore decided to remove it altogether.
step_sizeswith three values to
create_coordinate_arrays()is depreacted and will raise an error in 0.11.0. See the previous point for the reason.
CrystalMapPlot.plot_map()is depreacted and will be removed in 0.11.0. See the top point for the reason.
StereographicPlot.scatter()now accepts both
sizesto set the color and sizes of scatter points, in line with
Indexing/slicing into an already indexed/sliced
CrystalMapnow correctly returns the index/slice according to
CrystalMap.shapeand not the original shape of the un-sliced map.
2022-09-22 - version 0.10.0#
Support for type hints has been introduced and a section on this topic has been added to the contributing guide.
Vector3d.pole_density_function()has been implemented which allows for calculation of the Pole Density Function (PDF) and quantification of poles in the stereographic projection.
Seven methods for sampling unit vectors from regular grids on S2 via
Calculation of the Inverse Pole Density Function (IPDF), ie. pole density in the crystal point group fundamental sector, through
orix.measuremodule has been introduced. The
measuremodule is related to quantification of orientation and vector data.
Plotting the IPF color key on a created
InversePoleFigurePlotis now possible with
Examples gallery to documentation.
Moved part of documentation showing plotting of Wulff net and symmetry markers from the tutorials to examples.
Renamed user guide notebooks to tutorials in documentation.
Reference frame labels of stereographic projection of
Symmetry.plot()from (a, b) to (e1, e2), signifying the standard Cartesian reference frame attached to a crystal.
Tighten distribution of random orientation clusters in tutorial showing clustering across fundamental region boundaries, to avoid clustering sometimes giving two clusters instead of three.
Support for Python 3.6 has been removed. The minimum supported version in
orixis now Python 3.7.
Vector3d.check_vector(), as these methods were not used internally.
Plotting of unit cells works with Matplotlib v3.6, at the expense of a warning raised with earlier versions.
2022-05-16 - version 0.9.0#
Dask computation of
outer()methods through addition of a
lazyparameter. This is useful to reduce memory usage when working with large arrays.
Dask implementation of the
Symmetryelements can now be viewed in the stereographic projection using
Symmetry.plot(). The notebook point_groups.ipynb has been added to the documentation.
Vector3d.scatter()which reprojects vectors located on the hidden hemisphere to the visible hemisphere.
Vector3d.draw_circle()which reprojects parts of circle(s) on the other hemisphere to the current hemisphere.
Rotationobjects can now be checked for equality. Equality is determined by comparing their shape, data, and whether the rotations are improper.
angle_with_outer()has been added to both
Orientationclasses which computes the misorientation angle between every
Rotationin the two sets of rotations. In the case of
Orientation.angle_with_outer(), this is the symmetry reduced misorientation.
Notebook on clustering of misorientations across fundamental region boundaries moved from the orix-demos repository to the user guide.
orix.datamodule with test data used in the user guide and tests.
Misorientation.get_distance_matrix()for memory-efficient calculation of a misorientation angle (geodesic distance) matrix between misorientations using Dask.
Clarification of crystal axes alignment in documentation.
Creation of a
Phaseinstance from a CIF file.
Rotation-based classes now interprets angles in Bunge convention by default, ie.
direction="lab2crystal". The returned
Rotationfrom this function may be inverted from prior releases and users are advised to check their code.
from_euler()methods, in addition to
"lab2crystal"(now default) and
"crystal2lab", now also accepts a convenience argument
"mtex"which is consistent with the
"crystal2lab"direction in MTEX.
Symmetryhas been corrected.
Organized user guide documentation into topics.
to_euler()methods has been deprecated, in favour of
directionin the former. This parameter will be removed in release 1.0.
Misorientation.distance()in favour of
Fixed bug in
sample_S2_uv_mesh()and removed duplicate vectors at poles.
The results from
Orientation.dot_outer()are now returned as
self.shape + other.shape, which is consistent with
Writing of property arrays in .ang writer from masked CrystalMap.
orix.scalar.Scalarclass has been removed and the data held by
Scalaris now returned directly as a
The deprecation of function
Object3d.data_dimhas expired and have been removed.
2022-02-21 - version 0.8.2#
orix.quaternion.Quaternionnow relies on numpy-quaternion for quaternion conjugation, quaternion-quaternion and quaternion-vector multiplication, and quaternion-quaternion and quaternion-vector outer products.
Rounding in functions, e.g.
Rotation.unique(), is now set consistently at 12 dp.
Miller.in_fundamental_sector()doesn’t raise errors.
Miller.unique()now correctly returns unique vectors due to implemented rounding.
2022-02-14 - version 0.8.1#
Python 3.10 support.
Option to pass figure initialization keyword arguments to Matplotlib via plotting methods.
Orientationdisorientation angles and dot products returned from
dot_outer(), which now calculates the misorientation as
other * ~self. Disorientation angles
(o2 - o1).angleand
o1.angle_with(o2)are now the same.
The inverse indices returned from
Rotation.unique()now correctly recreate the original
Handling of property arrays in .ang writer with multiple values per map point.
CrystalMap’s handling of a mask of which points are in the data.
2021-12-21 - version 0.8.0#
FundamentalSectorclass of vector normals describing a fundamental sector in the stereographic projection, typically the inverse pole figure of a
Symmetry.fundamental_sectorattribute with a
FundamentalSectorfor that symmetry.
StereographicPlot.restrict_to_sector()to restrict the stereographic projection to a sector, typically the inverse pole figure of a
StereographicPlot.stereographic_grid()to control the azimuth and polar grid lines.
Sampling of vectors in UV mesh on a unit sphere (S2).
ndimattribute to Object3d and derived classes which returns number of navigation dimensions.
Setting the symmetry of a (Mis)Orientation via a
Projection of vectors into the fundamental sector (inverse pole figure) of a symmetry.
Plotting of orientations within an inverse pole figure given a Laue symmetry and sample direction.
Inverse pole figure colouring of orientations given a Laue symmetry and sample direction.
Orientationas a shortcut to
from_neo_euler()for axis/angle pairs.
Orientationbased classes now accept a
symmetryargument upon initialisation.
Euler angle colouring of orientations given a proper point group symmetry.
Simple unit cell orientation plotting with
StereographicPlotdoesn’t use Matplotlib’s
transformsframework anymore, and (X, Y) replaces (azimuth, polar) as internal coordinates.
from_neo_eulerno longer return the smallest angle orientation when a
CrystalMap.orientationsno longer returns smallest angle orientation.
squeezehave been overridden in
Misorientationbased classes to maintain the initial symmetry of the returned instance.
Rotation.to_euler()returns angles in the ranges (0, 2 pi), (0, pi), and (0, 2 pi).
CrystalMap.get_map_data()doesn’t round values by default anymore. Passing
decimals=3retains the old behaviour.
CrystalMap.plot()doesn’t override the Matplotlib status bar by default anymore. Passing
override_status_bar=Trueretains the old behaviour.
data_dimattribute of Object3d and all derived classes is deprecated from 0.8 and will be removed in 0.9. Use
Setting (Mis)Orientation symmetry via
set_symmetry()is deprecated in 0.8, in favour of setting it directly via a
symmetry.setter, and will be removed in 0.9. Use
from_euler()no longer accepts
"Krakow_Hielscher"as a convention, use
CrystalMap.get_map_data()can return an array of shape (3,) if there are that many points in the map.
Reading of point groups with “-” sign, like -43m, from EMsoft h5ebsd files.
2021-09-07 - version 0.7.0#
Memory-efficient calculation of a misorientation angle (geodesic distance) matrix between orientations using Dask.
Symmetry reduced calculations of dot products between orientations.
Two notebooks on clustering of orientations (not misorientations) across fundamental region boundaries are added to the user guide from the orix-demos repository.
Misorientation.scatter()(and subclasses) to plot orientations in either axis-angle or Rodrigues fundamental zone.
Object3d.get_random_sample(), inherited by all 3D objects, returning a new flattened instance with elements drawn randomly from the original instance.
transpose()method to all 3D classes to transpose navigation dimensions.
Reading of a
CrystalMapfrom orientation data in Bruker’s HDF5 file format.
Uniform sampling of orientation space using cubochoric sampling.
to_euler()changed internally, “Krakow_Hielscher” deprecated, use “MTEX” instead.
Default orientation space sampling method from “haar_euler” to “cubochoric”.
2021-05-23 - version 0.6.0#
Python 3.9 support.
User guide with Jupyter notebooks as part of the Read the Docs documentation.
CrystalMap.plot()method for easy plotting of phases, properties etc.
.ang file writer for CrystalMap objects (via
Millerclass, inheriting functionality from the
Vector3dclass, to handle operations with direct lattice vectors (uvw/UVTW) and reciprocal lattice vectors (hkl/hkil).
Vector3d.draw_circle()methods to show unit vectors and great/small circles in stereographic projection.
Stereographic plot using Matplotlib’s
transformsframework for plotting vectors, great/small circles, and symmetry elements.
projectionsmodule for projecting vectors to various coordinates, including stereographic coordinates.
CrystalMap.empty()class method to create empty map of a given shape with identity rotations.
Sampling of SO(3) now provided via two methods (up from the one in previous versions).
Warning when trying to create rotations from large Euler angles.
Passing symmetry when initializing an
Overloaded division for
Vector3d(left hand side) by numbers and suitably shaped array-like objects.
Names of spherical coordinates for the
radial. Similar changes to to/from_polar parameter names.
CrystalMap.get_map_data()tries to respect input data type, other minor improvements.
Continuous integration migrated from Travis CI to GitHub Actions.
Symmetry is preserved when creating a misorientation from orientations or when inverting orientations.
Reading of properties (scores etc.) from EMsoft h5ebsd files with certain map shapes.
Reading of crystal symmetry from EMsoft h5ebsd dot product files in CrystalMap plugin.
2020-11-03 - version 0.5.1#
This project now keeps a Changelog.
Testing for Python 3.8 on macOS.
CrystalMapproperties allow arrays with number of dimensions greater than 2.
.ang file reader now recognises phase IDs defined in the header.
EMsoft file reader reads unrefined Euler angles correctly.