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Improve the vertex positions in cage topology graphs #496

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andrewtarzia opened this issue Jun 29, 2023 · 1 comment
Open

Improve the vertex positions in cage topology graphs #496

andrewtarzia opened this issue Jun 29, 2023 · 1 comment
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@andrewtarzia
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It is more clear in the representations introduced in #495 that some topology graphs, eg cage.M24L48, have imperfect vertex placements.

This issue will likely result in changes to test outcomes because of small building block position changes.

It is necessary to go through all topology graphs.

@andrewtarzia andrewtarzia self-assigned this Jun 29, 2023
@andrewtarzia
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An example of a fix:

Update positions of vertex id=3 in stk.cage.M3L6 to:

        stk.cage.LinearVertex(
            id=3,
            position=[
                _R * np.cos((_theta + 1 * np.pi / 3)),
                _R * np.sin((_theta + 1 * np.pi / 3)),
                0.5,
            ],
            use_neighbor_placement=False,
        ),

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