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debug find_cell with sine option and resolve ambiguity
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Lines changed: 5 additions & 3 deletions

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edtools/find_cell.py

Lines changed: 5 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -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
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"""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
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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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