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Chang Molecule to not filter on import #762

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BradyAJohnston opened this issue Feb 28, 2025 · 0 comments
Open

Chang Molecule to not filter on import #762

BradyAJohnston opened this issue Feb 28, 2025 · 0 comments

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@BradyAJohnston
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Currently there is some filtering going on before the mesh is created inside of Blender, but I think we should instead align with how it is now done with the Trajectory. When importing a trajectory, I previously also filtered on import, but now all points are imported, and the selections can be updated on the mesh objects so that we don't lose access to any information after import. This also then ensures that every atom in the trajectory has a corresponding vertex in the mesh.

With the Molecule import, the only available filters during import of the molecule are hydrogens / solvent, but I think we should remove those filters so that again every atom in the AtomArray is represented in the mesh in Blender, reducing confusion about number of points in the data vs in the object. Then the selections just change named attributes which represent those selections and can be used internally.

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