Hi, I noticed a small typo in the comment in core/structure.py. The comment mentions "translation," but the function actually implements a "rotation" operation. (See line 4677 & 5298)
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def rotate_sites( |
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self, |
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indices: Sequence[int] | None = None, |
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theta: float = 0.0, |
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axis: ArrayLike | None = None, |
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anchor: ArrayLike | None = None, |
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) -> Self: |
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"""Rotate specific sites by some angle around vector at anchor. |
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Args: |
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indices (list): List of site indices on which to perform the |
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translation. |
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theta (float): Angle in radians |
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def rotate_sites( |
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self, |
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indices: list[int] | None = None, |
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theta: float = 0.0, |
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axis: ArrayLike | None = None, |
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anchor: ArrayLike | None = None, |
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to_unit_cell: bool = True, |
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) -> Self: |
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"""Rotate specific sites by some angle around vector at anchor. Modifies |
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the structure in place. |
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Args: |
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indices (list): List of site indices on which to perform the |
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translation. |
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theta (float): Angle in radians |