Merge pull request #600 from argerlt/Add-Rotation_from_path_ends

hakonanes · web-flow · commit 41bc84aff4c9 · 2025-11-12T19:41:05.000+01:00
Add rotation from path ends
diff --git a/CHANGELOG.rst b/CHANGELOG.rst
@@ -34,6 +34,8 @@ Added
   An example of a custom projection is the :class:`~orix.plot.StereographicPlot`.
   This function replaces the previous behavior of relying on a side-effect of importing
   the :mod:`orix.plot` module, which also registered the projections.
+- Method ``from_path_ends()`` to return quaternions, rotations, orientations, or
+  misorientations along the shortest path between two or more points.
 
 Changed
 -------
diff --git a/examples/plotting/visualizing_rotation_vector_paths.py b/examples/plotting/visualizing_rotation_vector_paths.py
@@ -0,0 +1,154 @@
+#
+# Copyright 2018-2025 the orix developers
+#
+# This file is part of orix.
+#
+# orix is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+#
+# orix is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with orix. If not, see <http://www.gnu.org/licenses/>.
+#
+
+"""
+===============================================
+Visualizing paths between rotations and vectors
+===============================================
+
+This example shows how define and plot paths through either rotation or vector space.
+This is akin to describing crystallographic fiber textures in metallurgy, or the
+shortest arcs connecting points on the surface of a unit sphere.
+
+In both cases, "shortest" is defined as the route that minimizes the movement required
+to transform from point to point, which is typically not a stright line when plotted
+into a euclidean projection (axis-angle, stereographic, etc.).
+"""
+
+import matplotlib as mpl
+import matplotlib.pyplot as plt
+import numpy as np
+
+from orix.plot import register_projections
+from orix.plot.direction_color_keys import DirectionColorKeyTSL
+from orix.quaternion import Orientation, Rotation
+from orix.quaternion.symmetry import C1, Oh
+from orix.sampling import sample_S2
+from orix.vector import Vector3d
+
+register_projections()  # Register our custom Matplotlib projections
+np.random.seed(2319)  # Reproducible random data
+
+# Number of steps along each path
+n_steps = 30
+
+########################################################################################
+# Example 1: Continuous path
+# ==========================
+#
+# This plot traces the path of an object rotated 90 degrees around the x-axis, then 90
+# degrees around the y-axis.
+
+oris1 = Orientation.from_axes_angles(
+    [[1, 0, 0], [1, 0, 0], [0, 1, 0]], [0, 90, 90], degrees=True
+)
+oris1[2] = oris1[1] * oris1[2]
+path = Orientation.from_path_ends(oris1, steps=n_steps)
+
+# Create a list of RGBA color values for a gradient red line and blue line
+colors1 = np.vstack(
+    [
+        mpl.colormaps["Reds"](np.linspace(0.5, 1, n_steps)),
+        mpl.colormaps["Blues"](np.linspace(0.5, 1, n_steps)),
+    ]
+)
+
+# Here, we use the built-in plotting method from Orientation.scatter to auto-generate
+# the plot.
+# This is especially handy when plotting only a single set of orientations.
+path.scatter(marker=">", c=colors1)
+_ = plt.gca().set_title("Axis-angle space, two 90\N{DEGREE SIGN} rotations")
+
+########################################################################################
+# Example 2: Multiple paths
+# =========================
+#
+# This plot shows several paths through the cubic (*m3m*) fundamental zone created by
+# rotating 20 randomly chosen points 30 degrees around the z-axis.
+# These paths are drawn in Rodrigues space, which is an equal-angle projection of
+# rotation space.
+# As such, notice how all lines tracing out axial rotations are straight, but lines
+# starting closer to the center of the fundamental zone appear shorter.
+#
+# The same paths are then also plotted in the inverse pole figure (IPF) for the sample
+# direction (0, 0, 1), IPF-Z.
+
+# Random orientations with the cubic *m3m* crystal symmetry, located inside the
+# fundamental zone of the proper point group (*432*)
+oris2 = Orientation.random(10, symmetry=Oh).reduce()
+
+# Rotation around the z-axis
+ori_shift = Orientation.from_axes_angles([0, 0, 1], -30, degrees=True)
+
+# Plot path for the first orientation (to get a figure to add to)
+rot_end = ori_shift * oris2[0]
+points = Orientation.stack([oris2[0], rot_end])
+path = Orientation.from_path_ends(points, steps=n_steps)
+path.symmetry = Oh
+
+colors2 = mpl.colormaps["inferno"](np.linspace(0, 1, n_steps))
+fig = path.scatter("rodrigues", position=121, return_figure=True, c=colors2)
+path.scatter("ipf", position=122, figure=fig, c=colors2)
+
+# Plot the rest
+rod_ax, ipf_ax = fig.axes
+rod_ax.set_title("Orientation paths in Rodrigues space")
+ipf_ax.set_title("Vector paths in IPF-Z", pad=15)
+
+for ori_start in oris2[1:]:
+    rot_end = ori_shift * ori_start
+    points = Orientation.stack([ori_start, rot_end])
+    path = Orientation.from_path_ends(points, steps=n_steps)
+    path.symmetry = Oh
+    rod_ax.scatter(path, c=colors2)
+    ipf_ax.scatter(path, c=colors2)
+
+########################################################################################
+# Example 3: Multiple vector paths
+# ================================
+#
+# Rotate vectors around the (1, 1, 1) axis on a stereographic plot.
+
+vec_ax = plt.subplot(projection="stereographic")
+vec_ax.set_title(r"Stereographic")
+vec_ax.set_labels("X", "Y")
+
+ipf_colormap = DirectionColorKeyTSL(C1)
+
+# Define a mesh of vectors with approximately 20 degree spacing, and within 80 degrees
+# of the z-axis
+vecs = sample_S2(20)
+vecs = vecs[vecs.polar < np.deg2rad(80)]
+
+# Define a 15 degree rotation around (1, 1, 1)
+rot111 = Rotation.from_axes_angles([1, 1, 1], [0, 15], degrees=True)
+
+for vec in vecs:
+    path_ends = rot111 * vec
+
+    # Handle case where path start end end are the same vector
+    if np.isclose(path_ends[0].dot(path_ends[1]), 1):
+        vec_ax.scatter(path_ends[0], c=ipf_colormap.direction2color(path_ends[0]))
+        continue
+
+    # Color each path using a gradient based on the IPF coloring
+    colors3 = ipf_colormap.direction2color(vec)
+    path = Vector3d.from_path_ends(path_ends, steps=100)
+    colors3_segment = colors3 * np.linspace(0.25, 1, path.size)[:, np.newaxis]
+    vec_ax.scatter(path, c=colors3_segment)
diff --git a/orix/quaternion/misorientation.py b/orix/quaternion/misorientation.py
@@ -273,6 +273,50 @@ def from_scipy_rotation(
             M.symmetry = symmetry
         return M
 
+    @classmethod
+    def from_path_ends(
+        cls, points: Misorientation, closed: bool = False, steps: int = 100
+    ) -> Misorientation:
+        """Return misorientations tracing the shortest path between two
+        or more consecutive points.
+
+        Parameters
+        ----------
+        points
+            Two or more misorientations that define points along the
+            path.
+        closed
+            Add a final trip from the last point back to the first, thus
+            closing the loop. Default is False.
+        steps
+            Number of misorientations to return between each point along
+            the path given by *points*. Default is 100.
+
+        Returns
+        -------
+        path
+            Regularly spaced misorientations along the path.
+
+        See Also
+        --------
+        :class:`~orix.quaternion.Quaternion.from_path_ends`,
+        :class:`~orix.quaternion.Orientation.from_path_ends`
+
+        Notes
+        -----
+        This function traces the shortest path between points without
+        considering symmetry. The concept of "shortest path" is not
+        well-defined for misorientations, which can define multiple
+        symmetrically equivalent points with non-equivalent paths.
+        """
+        points_type = type(points)
+        if points_type is not cls:
+            raise TypeError(
+                f"Points must be misorientations, not of type {points_type}"
+            )
+        out = Rotation.from_path_ends(points=points, closed=closed, steps=steps)
+        return cls(out.data, symmetry=points.symmetry)
+
     @classmethod
     def random(
         cls,
diff --git a/orix/quaternion/orientation.py b/orix/quaternion/orientation.py
@@ -352,6 +352,47 @@ def from_scipy_rotation(
             O.symmetry = symmetry
         return O
 
+    @classmethod
+    def from_path_ends(
+        cls, points: Orientation, closed: bool = False, steps: int = 100
+    ) -> Misorientation:
+        """Return orientations tracing the shortest path between two or
+        more consecutive points.
+
+        Parameters
+        ----------
+        points
+            Two or more orientations that define points along the path.
+        closed
+            Add a final trip from the last point back to the first, thus
+            closing the loop. Default is False.
+        steps
+            Number of orientations to return between each point along
+            the path given by *points*. Default is 100.
+
+        Returns
+        -------
+        path
+            Regularly spaced orientations along the path.
+
+        See Also
+        --------
+        :class:`~orix.quaternion.Quaternion.from_path_ends`,
+        :class:`~orix.quaternion.Misorientation.from_path_ends`
+
+        Notes
+        -----
+        This function traces the shortest path between points without
+        considering symmetry. The concept of "shortest path" is not
+        well-defined for orientations, which can define multiple
+        symmetrically equivalent points with non-equivalent paths.
+        """
+        points_type = type(points)
+        if points_type is not cls:  # Disallow misorientations
+            raise TypeError(f"Points must be orientations, not of type {points_type}")
+        out = Rotation.from_path_ends(points=points, closed=closed, steps=steps)
+        return cls(out.data, symmetry=points.symmetry)
+
     @classmethod
     def random(
         cls, shape: int | tuple[int, ...] = 1, symmetry: Symmetry | None = None
diff --git a/orix/quaternion/quaternion.py b/orix/quaternion/quaternion.py
@@ -691,6 +691,56 @@ def from_align_vectors(
 
         return out[0] if len(out) == 1 else tuple(out)
 
+    @classmethod
+    def from_path_ends(
+        cls, points: Quaternion, closed: bool = False, steps: int = 100
+    ) -> Quaternion:
+        """Return quaternions tracing the shortest path between two or
+        more consecutive points.
+
+        Parameters
+        ----------
+        points
+            Two or more quaternions that define points along the path.
+        closed
+            Add a final trip from the last point back to the first, thus
+            closing the loop. Default is False.
+        steps
+            Number of quaternions to return between each point along
+            the path given by *points*. Default is 100.
+
+        Returns
+        -------
+        path
+            Regularly spaced quaternions along the path.
+
+        See Also
+        --------
+        :class:`~orix.quaternion.Orientation.from_path_ends`,
+        :class:`~orix.quaternion.Misorientation.from_path_ends`
+        """
+        points = points.flatten()
+        n = points.size
+        if not closed:
+            n = n - 1
+
+        path_list = []
+        for i in range(n):
+            # Get start and end for this part of the journey
+            qu1 = points[i]
+            qu2 = points[(i + 1) % (points.size)]
+            # Get the axis-angle pair describing this part
+            ax, ang = _conversions.qu2ax((~qu1 * qu2).data)
+            # Get steps along the trip and add them to the journey
+            angles = np.linspace(0, ang, steps)
+            qu_trip = Quaternion.from_axes_angles(ax, angles)
+            path_list.append((qu1 * qu_trip.flatten()).data)
+
+        path_data = np.concatenate(path_list, axis=0)
+        path = cls(path_data)
+
+        return path
+
     @classmethod
     def triple_cross(cls, q1: Quaternion, q2: Quaternion, q3: Quaternion) -> Quaternion:
         """Pointwise cross product of three quaternions.
diff --git a/orix/tests/test_quaternion/test_orientation.py b/orix/tests/test_quaternion/test_orientation.py
@@ -311,6 +311,60 @@ def test_symmetry_property_wrong_number_of_values_misorientation(error_type, val
         o.symmetry = value
 
 
+def test_from_path_ends():
+    """check from_path_ends returns what you would expect and
+    preserves symmetry information.
+    In particular, ensure the class of the returned object matches the class
+    used for creating it, NOT the class of the object passed in.
+    """
+    qu = Quaternion.random(10)
+    rot = Rotation.random(10)
+    ori = Orientation.random(10, Oh)
+    mori = Misorientation.random(10, [D3, Oh])
+
+    # Quaternion sanity checks
+    qu_path1 = Quaternion.from_path_ends(qu)
+    assert isinstance(qu_path1, Quaternion)
+    qu_path2 = Quaternion.from_path_ends(rot)
+    assert isinstance(qu_path2, Quaternion)
+    qu_path3 = Quaternion.from_path_ends(ori)
+    assert isinstance(qu_path3, Quaternion)
+    qu_path4 = Quaternion.from_path_ends(mori)
+    assert isinstance(qu_path4, Quaternion)
+
+    # Rotation sanity checks
+    rot_path1 = Rotation.from_path_ends(qu)
+    assert isinstance(rot_path1, Rotation)
+    rot_path2 = Rotation.from_path_ends(rot)
+    assert isinstance(rot_path2, Rotation)
+    rot_path3 = Rotation.from_path_ends(ori)
+    assert isinstance(rot_path3, Rotation)
+    rot_path4 = Rotation.from_path_ends(mori)
+    assert isinstance(rot_path4, Rotation)
+
+    # Misorientation sanity checks
+    with pytest.raises(TypeError, match="Points must be misorientations, "):
+        Misorientation.from_path_ends(qu)
+    with pytest.raises(TypeError, match="Points must be misorientations, "):
+        Misorientation.from_path_ends(rot)
+    with pytest.raises(TypeError, match="Points must be misorientations, "):
+        Misorientation.from_path_ends(ori)
+    mori_path = Misorientation.from_path_ends(mori)
+    assert isinstance(mori_path, Misorientation)
+    assert mori_path.symmetry == mori.symmetry
+
+    # Orientation sanity checks
+    with pytest.raises(TypeError, match="Points must be orientations, "):
+        Orientation.from_path_ends(qu)
+    with pytest.raises(TypeError, match="Points must be orientations, "):
+        Orientation.from_path_ends(rot)
+    ori_path = Orientation.from_path_ends(ori)
+    assert ori_path.symmetry == ori.symmetry
+    assert isinstance(ori_path, Orientation)
+    with pytest.raises(TypeError, match="Points must be orientations, "):
+        qu_path4 = Orientation.from_path_ends(mori)
+
+
 class TestMisorientation:
     def test_get_distance_matrix(self):
         """Compute distance between every misorientation in an instance
@@ -811,6 +865,11 @@ def test_in_fundamental_region(self):
             region = np.radians(pg.euler_fundamental_region)
             assert np.all(np.max(ori.in_euler_fundamental_region(), axis=0) <= region)
 
+    def test_from_path_ends(self):
+        # generate paths with orientations to check symmetry copying
+        wp_o = Orientation(data=np.eye(4)[:2], symmetry=Oh)
+        assert Orientation.from_path_ends(wp_o)._symmetry == (C1, Oh)
+
     def test_inverse(self):
         O1 = Orientation([np.sqrt(2) / 2, np.sqrt(2) / 2, 0, 0], D6)
         O2 = ~O1
diff --git a/orix/tests/test_quaternion/test_quaternion.py b/orix/tests/test_quaternion/test_quaternion.py
