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1 parent ac9cc8d commit 4cabf55Copy full SHA for 4cabf55
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edtools/find_cell.py
@@ -304,15 +304,17 @@ def to_radian(cells):
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return cells_radian
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def to_sin(cells):
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- """convert all angles in unit cell parameter list to radians
+ """convert all angles in unit cell parameter list to sine
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cells: the cell parameters that are parsed from cells.yaml as np array"""
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angles = cells[:, 3:6]
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angles_sine = np.sin(np.radians(angles))
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cells_sine = cells.copy()
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- cells[:, 3:6] = angles_sine
+ cells_sine[:, 3:6] = angles_sine
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+ # convert also the cell angles using arcsin in order to avoid the <> 90 degree ambiguity thingy
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+ cells[:, 3:6] = np.degrees(np.arcsin(cells_sine[:, 3:6]))
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- return cells
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+ return cells_sine
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def put_in_order(cells):
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