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Fix clustering misorientations plot #521

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Fix clustering misorientations plot #521

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cc6f9ff
Convert between MTEX and DAMASK notation for quaternions
gcapes Feb 23, 2026
ce141f1
Fix legend labels
gcapes Feb 23, 2026
172cf57
pre-commit fixes [skip ci]
hpcflow-actions Feb 23, 2026
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7 changes: 6 additions & 1 deletion matflow/data/scripts/cluster_orientations.py
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Original file line number Diff line number Diff line change
Expand Up @@ -20,6 +20,9 @@ def cluster_orientations(
volume_element = validate_volume_element(volume_element)

quaternions = volume_element["orientations"]["quaternions"]
# Convert quaternion representation to DAMASK format
quaternions[:, 1:] *= -1

material_index = volume_element["element_material_idx"]
material_index_2d = material_index[:, :, 0]
material_index_3d = np.stack(
Expand Down Expand Up @@ -60,14 +63,16 @@ def cluster_orientations(
return_full=True,
)

# Convert quaternions back to MTEX notation
orientations_shuffled_vol[:, 1:] *= -1
# Replace quaternions in volume element
volume_element["orientations"]["quaternions"] = np.array(
[list(x) for x in orientations_shuffled_vol]
)

plt.hist(misorientation)
plt.hist(misorientation_init, color="r", alpha=0.5)
plt.legend(["Initial", "shuffled"], fontsize=5)
plt.legend(["Shuffled", "Initial"], fontsize=5)
plt.xlabel("Misorientation")
plt.ylabel("Number of grains")
plt.savefig("misorientation.png")
Expand Down