From cc6f9ff30087f8837b7bf2fc93bd4b318cb78819 Mon Sep 17 00:00:00 2001 From: Gerard Capes Date: Mon, 23 Feb 2026 15:35:33 +0000 Subject: [PATCH 1/3] Convert between MTEX and DAMASK notation for quaternions --- matflow/data/scripts/cluster_orientations.py | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/matflow/data/scripts/cluster_orientations.py b/matflow/data/scripts/cluster_orientations.py index 43fe8b2f..9c7fbe8c 100644 --- a/matflow/data/scripts/cluster_orientations.py +++ b/matflow/data/scripts/cluster_orientations.py @@ -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( @@ -60,6 +63,8 @@ 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] From ce141f176563d6d3879fdc1170671a6741d716e7 Mon Sep 17 00:00:00 2001 From: Gerard Capes Date: Mon, 23 Feb 2026 15:36:01 +0000 Subject: [PATCH 2/3] Fix legend labels --- matflow/data/scripts/cluster_orientations.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/matflow/data/scripts/cluster_orientations.py b/matflow/data/scripts/cluster_orientations.py index 9c7fbe8c..64148f2a 100644 --- a/matflow/data/scripts/cluster_orientations.py +++ b/matflow/data/scripts/cluster_orientations.py @@ -72,7 +72,7 @@ def cluster_orientations( 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") From 172cf573e4faa9e2a3eda13eb93b252280dcae61 Mon Sep 17 00:00:00 2001 From: hpcflow-actions Date: Mon, 23 Feb 2026 15:50:44 +0000 Subject: [PATCH 3/3] pre-commit fixes [skip ci] --- matflow/data/scripts/cluster_orientations.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/matflow/data/scripts/cluster_orientations.py b/matflow/data/scripts/cluster_orientations.py index 64148f2a..89a439fb 100644 --- a/matflow/data/scripts/cluster_orientations.py +++ b/matflow/data/scripts/cluster_orientations.py @@ -21,7 +21,7 @@ def cluster_orientations( quaternions = volume_element["orientations"]["quaternions"] # Convert quaternion representation to DAMASK format - quaternions[:,1:]*=-1 + quaternions[:, 1:] *= -1 material_index = volume_element["element_material_idx"] material_index_2d = material_index[:, :, 0] @@ -64,7 +64,7 @@ def cluster_orientations( ) # Convert quaternions back to MTEX notation - orientations_shuffled_vol[:,1:]*=-1 + orientations_shuffled_vol[:, 1:] *= -1 # Replace quaternions in volume element volume_element["orientations"]["quaternions"] = np.array( [list(x) for x in orientations_shuffled_vol]