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Macrocycle topology graph does not handle symmetry, small building blocks well #532

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andrewtarzia opened this issue Sep 5, 2024 · 0 comments
Open

Macrocycle topology graph does not handle symmetry, small building blocks well #532

andrewtarzia opened this issue Sep 5, 2024 · 0 comments
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@andrewtarzia
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Building a macrocycle from a building block that has fg_centroids effectively at the same point leads to issues in self._vertex.map_functional_groups_to_edges.

Unsure what the fix is for this, but it should be fixed.
@andrewtarzia andrewtarzia added the bug Something isn't working label Sep 5, 2024
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